*HEADER    TRANSFERASE                             21-FEB-06   2G46              
*TITLE     STRUCTURE OF VSET IN COMPLEX WITH MEK27 H3 PEPT. AND                  
*TITLE    2 COFACTOR PRODUCT SAH                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PBCV-1 HISTONE H3-LYS 27 METHYLTRANSFERASE;                
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 SYNONYM: VSET;                                                       
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: MEK27 H3 PEPTIDE;                                          
*COMPND   8 CHAIN: C, D;                                                         
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PARAMECIUM BURSARIA CHLORELLA VIRUS 1;          
*SOURCE   3 ORGANISM_COMMON: VIRUS;                                              
*SOURCE   4 GENE: A612L;                                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET22B;                                   
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 SYNTHETIC: YES                                                       
*KEYWDS    VSET STRUCTURE, HSITONE METHYLTRANSFERASE, NMR                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    C.M.QIAN, L.ZHENG, M.M.ZHOU                                           
*REVDAT   1   05-DEC-06 2G46    0                                                


!
!
!The last digit in peak ID is the spectrum number

ASSI {    03}
  (( segid "SEGA" and resid 109  and name HA  ))
  (( segid "SEGA" and resid 109  and name HD1  ))
     6 6 0 peak 03 weight  0.1000E+01 volume 2.79840 ppm1 4.423 ppm2 6.658
ASSI {    23}
  (( segid "SEGA" and resid 105  and name HA  ))
  (( segid "SEGA" and resid 105  and name HD1  ))
     6 6 0 peak 23 weight  0.1000E+01 volume 25.85830 ppm1 4.451 ppm2 6.945
ASSI {    33}
  (( segid "SEGA" and resid 105  and name HB1  ))
  (( segid "SEGA" and resid 105  and name HD1  ))
     6 6 0 peak 33 weight  0.1000E+01 volume 13.52610 ppm1 3.046 ppm2 6.946
ASSI {    43}
  (( segid "SEGA" and resid 105  and name HB2  ))
  (( segid "SEGA" and resid 105  and name HD1  ))
     6 6 0 peak 43 weight  0.1000E+01 volume 38.28940 ppm1 2.805 ppm2 6.945
ASSI {    63}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 24  and name HD1  ))
     6 6 0 peak 63 weight  0.1000E+01 volume 65.79660 ppm1 1.096 ppm2 7.248
ASSI {    73}
  (( segid "SEGA" and resid 24  and name HB1  ))
  (( segid "SEGA" and resid 24  and name HD1  ))
     6 6 0 peak 73 weight  0.1000E+01 volume 37.37530 ppm1 3.257 ppm2 7.248
ASSI {    83}
  (( segid "SEGA" and resid 101  and name HD1#  ))
  (( segid "SEGA" and resid 24  and name HD1  ))
     6 6 0 peak 83 weight  0.1000E+01 volume 80.42650 ppm1 0.681 ppm2 7.250
ASSI {    93}
  (( segid "SEGA" and resid 90  and name HB1  ))
  (( segid "SEGA" and resid 90  and name HD1  ))
     6 6 0 peak 93 weight  0.1000E+01 volume 23.02870 ppm1 2.861 ppm2 6.914
ASSI {   103}
  (( segid "SEGA" and resid 90  and name HB2  ))
  (( segid "SEGA" and resid 90  and name HD1  ))
     6 6 0 peak 103 weight  0.1000E+01 volume 17.95080 ppm1 2.501 ppm2 6.907
ASSI {   113}
  (( segid "SEGA" and resid 18  and name HG1#  ))
  (( segid "SEGA" and resid 64  and name HD1  ))
     6 6 0 peak 113 weight  0.1000E+01 volume 54.92950 ppm1 0.461 ppm2 7.028
ASSI {   123}
  (( segid "SEGA" and resid 47  and name HD1#  ))
  (( segid "SEGA" and resid 43  and name HZ3  ))
     6 6 0 peak 123 weight  0.1000E+01 volume 42.88360 ppm1 1.460 ppm2 6.997
ASSI {   133}
  (( segid "SEGA" and resid 110  and name HA  ))
  (( segid "SEGA" and resid 110  and name HE3  ))
     6 6 0 peak 133 weight  0.1000E+01 volume 12.10040 ppm1 4.523 ppm2 7.596
ASSI {   153}
  (( segid "SEGA" and resid 16  and name HB1  ))
  (( segid "SEGA" and resid 16  and name HE1  ))
     6 6 0 peak 153 weight  0.1000E+01 volume 5.96390 ppm1 2.654 ppm2 6.922
ASSI {   163}
  (( segid "SEGA" and resid 109  and name HE1  ))
  (( segid "SEGA" and resid 109  and name HD1  ))
     6 6 0 peak 163 weight  0.1000E+01 volume 35.17430 ppm1 6.542 ppm2 6.649
ASSI {   183}
  (( segid "SEGA" and resid 68  and name HE1  ))
  (( segid "SEGA" and resid 68  and name HD1  ))
     6 6 0 peak 183 weight  0.1000E+01 volume 98.33420 ppm1 6.858 ppm2 7.561
ASSI {   193}
  (( segid "SEGA" and resid 105  and name HE1  ))
  (( segid "SEGA" and resid 105  and name HD1  ))
     6 6 0 peak 193 weight  0.1000E+01 volume 123.36210 ppm1 6.647 ppm2 6.944
ASSI {   203}
  (( segid "SEGA" and resid 24  and name HA  ))
  (( segid "SEGA" and resid 24  and name HD1  ))
     6 6 0 peak 203 weight  0.1000E+01 volume 59.17320 ppm1 5.055 ppm2 7.250
ASSI {   213}
  (( segid "SEGA" and resid 52  and name HA  ))
  (( segid "SEGA" and resid 52  and name HD1  ))
     6 6 0 peak 213 weight  0.1000E+01 volume 44.91760 ppm1 4.913 ppm2 7.244
ASSI {   223}
  (( segid "SEGA" and resid 90  and name HE1  ))
  (( segid "SEGA" and resid 90  and name HD1  ))
     6 6 0 peak 223 weight  0.1000E+01 volume 134.12210 ppm1 7.291 ppm2 6.916
ASSI {   233}
  (( segid "SEGA" and resid 64  and name HA  ))
  (( segid "SEGA" and resid 64  and name HD1  ))
     6 6 0 peak 233 weight  0.1000E+01 volume 13.66190 ppm1 4.816 ppm2 7.029
ASSI {   243}
  (( segid "SEGA" and resid 90  and name HD1  ))
  (( segid "SEGA" and resid 90  and name HZ  ))
     6 6 0 peak 243 weight  0.1000E+01 volume 74.16100 ppm1 6.913 ppm2 7.264
ASSI {   253}
  (( segid "SEGA" and resid 110  and name HE3  ))
  (( segid "SEGA" and resid 110  and name HZ3  ))
     6 6 0 peak 253 weight  0.1000E+01 volume 21.84100 ppm1 7.593 ppm2 7.158
ASSI {   263}
  (( segid "SEGA" and resid 110  and name HD1  ))
  (( segid "SEGA" and resid 110  and name HZ3  ))
     6 6 0 peak 263 weight  0.1000E+01 volume 21.88450 ppm1 7.258 ppm2 7.150
ASSI {   273}
  (( segid "SEGA" and resid 110  and name HD1  ))
  (( segid "SEGA" and resid 110  and name HE3  ))
     6 6 0 peak 273 weight  0.1000E+01 volume 3.68990 ppm1 7.274 ppm2 7.601
ASSI {   283}
  (( segid "SEGA" and resid 16  and name HA  ))
  (( segid "SEGA" and resid 16  and name HE1  ))
     6 6 0 peak 283 weight  0.1000E+01 volume 57.81600 ppm1 4.890 ppm2 6.910
ASSI {   293}
  (( segid "SEGA" and resid 24  and name HB2  ))
  (( segid "SEGA" and resid 24  and name HD1  ))
     6 6 0 peak 293 weight  0.1000E+01 volume 15.15960 ppm1 2.922 ppm2 7.248
ASSI {   303}
  (( segid "SEGA" and resid 64  and name HB2  ))
  (( segid "SEGA" and resid 64  and name HD1  ))
     6 6 0 peak 303 weight  0.1000E+01 volume 14.70110 ppm1 2.606 ppm2 7.041
ASSI {   313}
  (( segid "SEGA" and resid 52  and name HB2  ))
  (( segid "SEGA" and resid 52  and name HD1  ))
     6 6 0 peak 313 weight  0.1000E+01 volume 6.53090 ppm1 2.817 ppm2 7.232
ASSI {   323}
  (( segid "SEGA" and resid 52  and name HD1  ))
  (( segid "SEGA" and resid 52  and name HE1  ))
     6 6 0 peak 323 weight  0.1000E+01 volume 293.71640 ppm1 7.228 ppm2 7.034
ASSI {   343}
  (( segid "SEGA" and resid 69  and name HB1  ))
  (( segid "SEGA" and resid 68  and name HD1  ))
     6 6 0 peak 343 weight  0.1000E+01 volume 6.25900 ppm1 2.876 ppm2 7.555
ASSI {   353}
  (( segid "SEGA" and resid 69  and name HB2  ))
  (( segid "SEGA" and resid 68  and name HD1  ))
     6 6 0 peak 353 weight  0.1000E+01 volume 7.93350 ppm1 2.740 ppm2 7.558
ASSI {   363}
  (( segid "SEGA" and resid 68  and name HA  ))
  (( segid "SEGA" and resid 68  and name HD1  ))
     6 6 0 peak 363 weight  0.1000E+01 volume 2.62390 ppm1 4.138 ppm2 7.557
ASSI {   373}
  (( segid "SEGA" and resid 89  and name HG11  ))
  (( segid "SEGA" and resid 68  and name HD1  ))
     6 6 0 peak 373 weight  0.1000E+01 volume 5.95460 ppm1 0.797 ppm2 7.558
ASSI {   383}
  (( segid "SEGA" and resid 29  and name HD1#  ))
  (( segid "SEGA" and resid 90  and name HD1  ))
     6 6 0 peak 383 weight  0.1000E+01 volume 13.31200 ppm1 0.369 ppm2 6.890
ASSI {   393}
  (( segid "SEGA" and resid 90  and name HA  ))
  (( segid "SEGA" and resid 90  and name HD1  ))
     6 6 0 peak 393 weight  0.1000E+01 volume 5.41870 ppm1 5.583 ppm2 6.919
ASSI {   403}
  (( segid "SEGA" and resid 109  and name HB1  ))
  (( segid "SEGA" and resid 109  and name HD1  ))
     6 6 0 peak 403 weight  0.1000E+01 volume 11.60870 ppm1 2.994 ppm2 6.653
ASSI {   413}
  (( segid "SEGA" and resid 109  and name HB2  ))
  (( segid "SEGA" and resid 109  and name HD1  ))
     6 6 0 peak 413 weight  0.1000E+01 volume 11.11420 ppm1 2.779 ppm2 6.653
ASSI {   423}
  (( segid "SEGA" and resid 50  and name HB2  ))
  (( segid "SEGA" and resid 50  and name HD1  ))
     6 6 0 peak 423 weight  0.1000E+01 volume 10.37680 ppm1 2.678 ppm2 7.213
ASSI {   433}
  (( segid "SEGA" and resid 50  and name HB1  ))
  (( segid "SEGA" and resid 50  and name HD1  ))
     6 6 0 peak 433 weight  0.1000E+01 volume 14.20760 ppm1 3.140 ppm2 7.223
ASSI {   443}
  (( segid "SEGA" and resid 43  and name HA  ))
  (( segid "SEGA" and resid 43  and name HE3  ))
     6 6 0 peak 443 weight  0.1000E+01 volume 8.77330 ppm1 4.937 ppm2 8.272
ASSI {   453}
  (( segid "SEGA" and resid 43  and name HZ3  ))
  (( segid "SEGA" and resid 43  and name HE3  ))
     6 6 0 peak 453 weight  0.1000E+01 volume 19.10340 ppm1 7.009 ppm2 8.269
ASSI {   463}
  (( segid "SEGA" and resid 43  and name HB1  ))
  (( segid "SEGA" and resid 43  and name HE3  ))
     6 6 0 peak 463 weight  0.1000E+01 volume 2.81050 ppm1 3.517 ppm2 8.266
ASSI {   473}
  (( segid "SEGA" and resid 43  and name HH2  ))
  (( segid "SEGA" and resid 43  and name HZ3  ))
     6 6 0 peak 473 weight  0.1000E+01 volume 3.05780 ppm1 6.866 ppm2 7.007
ASSI {   483}
  (( segid "SEGA" and resid 43  and name HE3  ))
  (( segid "SEGA" and resid 43  and name HZ3  ))
     6 6 0 peak 483 weight  0.1000E+01 volume 7.96550 ppm1 8.278 ppm2 7.008
ASSI {   493}
  (( segid "SEGA" and resid 36  and name HG2#  ))
  (( segid "SEGA" and resid 43  and name HZ3  ))
     6 6 0 peak 493 weight  0.1000E+01 volume 2.78530 ppm1 0.778 ppm2 7.006
ASSI {   503}
  (( segid "SEGA" and resid 47  and name HG  ))
  (( segid "SEGA" and resid 43  and name HZ3  ))
     6 6 0 peak 503 weight  0.1000E+01 volume 13.25140 ppm1 1.759 ppm2 7.009
ASSI {   553}
  (( segid "SEGA" and resid 29  and name HD1#  ))
  (( segid "SEGA" and resid 90  and name HZ  ))
     6 6 0 peak 553 weight  0.1000E+01 volume 10.44590 ppm1 0.355 ppm2 7.259
ASSI {   563}
  (( segid "SEGA" and resid 29  and name HB2  ))
  (( segid "SEGA" and resid 90  and name HZ  ))
     6 6 0 peak 563 weight  0.1000E+01 volume 10.60020 ppm1 1.548 ppm2 7.259
ASSI {   573}
  (( segid "SEGA" and resid 16  and name HB2  ))
  (( segid "SEGA" and resid 16  and name HE1  ))
     6 6 0 peak 573 weight  0.1000E+01 volume 8.37730 ppm1 2.785 ppm2 6.929
ASSI {   593}
  (( segid "SEGA" and resid 110  and name HB2  ))
  (( segid "SEGA" and resid 110  and name HE3  ))
     6 6 0 peak 593 weight  0.1000E+01 volume 2.09680 ppm1 3.212 ppm2 7.598
ASSI {   603}
  (( segid "SEGA" and resid 110  and name HA  ))
  (( segid "SEGA" and resid 110  and name HD1  ))
     6 6 0 peak 603 weight  0.1000E+01 volume 3.86310 ppm1 4.516 ppm2 7.245
ASSI {   613}
  (( segid "SEGA" and resid 110  and name HZ3  ))
  (( segid "SEGA" and resid 110  and name HE3  ))
     6 6 0 peak 613 weight  0.1000E+01 volume 17.80360 ppm1 7.156 ppm2 7.594
ASSI {   623}
  (( segid "SEGA" and resid 110  and name HB1  ))
  (( segid "SEGA" and resid 110  and name HD1  ))
     6 6 0 peak 623 weight  0.1000E+01 volume 1.55360 ppm1 3.373 ppm2 7.245
ASSI {   633}
  (( segid "SEGA" and resid 87  and name HE#  ))
  (( segid "SEGA" and resid 78  and name HD2  ))
     6 6 0 peak 633 weight  0.1000E+01 volume 7.13120 ppm1 1.640 ppm2 6.360
ASSI {   643}
  (( segid "SEGA" and resid 109  and name HD1  ))
  (( segid "SEGA" and resid 109  and name HE1  ))
     6 6 0 peak 643 weight  0.1000E+01 volume 25.41430 ppm1 6.639 ppm2 6.516
ASSI {   663}
  (( segid "SEGA" and resid 52  and name HB1  ))
  (( segid "SEGA" and resid 52  and name HE1  ))
     6 6 0 peak 663 weight  0.1000E+01 volume 8.52150 ppm1 3.134 ppm2 7.026
ASSI {   673}
  (( segid "SEGA" and resid 103  and name HD1#  ))
  (( segid "SEGA" and resid 105  and name HD1  ))
     6 6 0 peak 673 weight  0.1000E+01 volume 6.61610 ppm1 0.471 ppm2 6.946
ASSI {   683}
  (( segid "SEGA" and resid 29  and name HA  ))
  (( segid "SEGA" and resid 90  and name HD1  ))
     6 6 0 peak 683 weight  0.1000E+01 volume 2.76630 ppm1 4.121 ppm2 6.919
ASSI {   703}
  (( segid "SEGA" and resid 47  and name HD1#  ))
  (( segid "SEGA" and resid 43  and name HE3  ))
     6 6 0 peak 703 weight  0.1000E+01 volume 34.55860 ppm1 1.473 ppm2 8.279
ASSI {   713}
  (( segid "SEGA" and resid 67  and name HG11  ))
  (( segid "SEGA" and resid 64  and name HD1  ))
     6 6 0 peak 713 weight  0.1000E+01 volume 24.16570 ppm1 1.562 ppm2 7.035
ASSI {   723}
  (( segid "SEGA" and resid 51  and name HD2#  ))
  (( segid "SEGA" and resid 43  and name HZ3  ))
     6 6 0 peak 723 weight  0.1000E+01 volume 0.52060 ppm1 0.022 ppm2 7.014
ASSI {   733}
  (( segid "SEGA" and resid 28  and name HB1  ))
  (( segid "SEGA" and resid 24  and name HD1  ))
     6 6 0 peak 733 weight  0.1000E+01 volume 29.60900 ppm1 2.264 ppm2 7.252
ASSI {   753}
  (( segid "SEGA" and resid 52  and name HB1  ))
  (( segid "SEGA" and resid 52  and name HD1  ))
     6 6 0 peak 753 weight  0.1000E+01 volume 7.98510 ppm1 3.126 ppm2 7.229
ASSI {   763}
  (( segid "SEGA" and resid 67  and name HG2#  ))
  (( segid "SEGA" and resid 64  and name HD1  ))
     6 6 0 peak 763 weight  0.1000E+01 volume 10.70240 ppm1 0.757 ppm2 7.035
ASSI {   773}
  (( segid "SEGA" and resid 67  and name HD1#  ))
  (( segid "SEGA" and resid 64  and name HD1  ))
     6 6 0 peak 773 weight  0.1000E+01 volume 20.91750 ppm1 0.900 ppm2 7.031
ASSI {   783}
  (( segid "SEGA" and resid 3  and name HA  ))
  (( segid "SEGA" and resid 2  and name HD1  ))
     6 6 0 peak 783 weight  0.1000E+01 volume 25.67140 ppm1 5.144 ppm2 7.251
ASSI {   793}
  (( segid "SEGA" and resid 2  and name HA  ))
  (( segid "SEGA" and resid 2  and name HE1  ))
     6 6 0 peak 793 weight  0.1000E+01 volume 2.85910 ppm1 5.464 ppm2 7.232
ASSI {   813}
  (( segid "SEGA" and resid 95  and name HB  ))
  (( segid "SEGA" and resid 24  and name HD1  ))
     6 6 0 peak 813 weight  0.1000E+01 volume 28.50950 ppm1 1.856 ppm2 7.250
ASSI {   823}
  (( segid "SEGA" and resid 7  and name HB  ))
  (( segid "SEGA" and resid 2  and name HD1  ))
     6 6 0 peak 823 weight  0.1000E+01 volume 10.29870 ppm1 1.698 ppm2 7.248
ASSI {   853}
  (( segid "SEGA" and resid 65  and name HA1  ))
  (( segid "SEGA" and resid 68  and name HD1  ))
     6 6 0 peak 853 weight  0.1000E+01 volume 5.05670 ppm1 4.228 ppm2 7.560
ASSI {   863}
  (( segid "SEGA" and resid 65  and name HA2  ))
  (( segid "SEGA" and resid 68  and name HD1  ))
     6 6 0 peak 863 weight  0.1000E+01 volume 7.74310 ppm1 3.890 ppm2 7.557
ASSI {   873}
  (( segid "SEGA" and resid 67  and name HB  ))
  (( segid "SEGA" and resid 68  and name HD1  ))
     6 6 0 peak 873 weight  0.1000E+01 volume 10.62390 ppm1 1.559 ppm2 7.559
ASSI {   883}
  (( segid "SEGA" and resid 101  and name HG2#  ))
  (( segid "SEGA" and resid 68  and name HD1  ))
     6 6 0 peak 883 weight  0.1000E+01 volume 15.84390 ppm1 0.674 ppm2 7.558
ASSI {   893}
  (( segid "SEGA" and resid 89  and name HD1#  ))
  (( segid "SEGA" and resid 68  and name HD1  ))
     6 6 0 peak 893 weight  0.1000E+01 volume 4.80580 ppm1 0.458 ppm2 7.551
ASSI {   913}
  (( segid "SEGA" and resid 88  and name HB1  ))
  (( segid "SEGA" and resid 90  and name HD1  ))
     6 6 0 peak 913 weight  0.1000E+01 volume 7.24960 ppm1 1.402 ppm2 6.898
ASSI {   933}
  (( segid "SEGA" and resid 60  and name HE#  ))
  (( segid "SEGA" and resid 50  and name HD1  ))
     6 6 0 peak 933 weight  0.1000E+01 volume 27.32300 ppm1 1.874 ppm2 7.221
ASSI {   943}
  (( segid "SEGA" and resid 66  and name HB#  ))
  (( segid "SEGA" and resid 50  and name HD1  ))
     6 6 0 peak 943 weight  0.1000E+01 volume 27.78290 ppm1 1.680 ppm2 7.221
ASSI {   963}
  (( segid "SEGA" and resid 105  and name HD1  ))
  (( segid "SEGA" and resid 105  and name HE1  ))
     6 6 0 peak 963 weight  0.1000E+01 volume 49.06000 ppm1 6.942 ppm2 6.644
ASSI {   973}
  (( segid "SEGA" and resid 105  and name HA  ))
  (( segid "SEGA" and resid 105  and name HE1  ))
     6 6 0 peak 973 weight  0.1000E+01 volume 8.21580 ppm1 4.451 ppm2 6.647
ASSI {   983}
  (( segid "SEGA" and resid 105  and name HB1  ))
  (( segid "SEGA" and resid 105  and name HE1  ))
     6 6 0 peak 983 weight  0.1000E+01 volume 12.46330 ppm1 3.069 ppm2 6.646
ASSI {   993}
  (( segid "SEGA" and resid 70  and name HB2  ))
  (( segid "SEGA" and resid 105  and name HE1  ))
     6 6 0 peak 993 weight  0.1000E+01 volume 6.28210 ppm1 3.134 ppm2 6.646
ASSI {  1003}
  (( segid "SEGA" and resid 105  and name HB2  ))
  (( segid "SEGA" and resid 105  and name HE1  ))
     6 6 0 peak 1003 weight  0.1000E+01 volume 13.38650 ppm1 2.793 ppm2 6.644
ASSI {  1023}
  (( segid "SEGA" and resid 103  and name HD1#  ))
  (( segid "SEGA" and resid 105  and name HE1  ))
     6 6 0 peak 1023 weight  0.1000E+01 volume 8.24590 ppm1 0.473 ppm2 6.651
ASSI {  1043}
  (( segid "SEGA" and resid 51  and name HD2#  ))
  (( segid "SEGA" and resid 43  and name HE3  ))
     6 6 0 peak 1043 weight  0.1000E+01 volume 6.90770 ppm1 0.061 ppm2 8.287
ASSI {  1053}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 43  and name HZ3  ))
     6 6 0 peak 1053 weight  0.1000E+01 volume 2.37140 ppm1 -0.353 ppm2 7.012
ASSI {  1063}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 24  and name HD1  ))
     6 6 0 peak 1063 weight  0.1000E+01 volume 382.32559 ppm1 7.495 ppm2 7.238
ASSI {  1093}
  (( segid "SEGA" and resid 6  and name HG1#  ))
  (( segid "SEGA" and resid 24  and name HD1  ))
     6 6 0 peak 1093 weight  0.1000E+01 volume 30.96080 ppm1 0.899 ppm2 7.250
ASSI {  1103}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 24  and name HE1  ))
     6 6 0 peak 1103 weight  0.1000E+01 volume 256.68390 ppm1 7.240 ppm2 7.489
ASSI {  1113}
  (( segid "SEGA" and resid 30  and name HA  ))
  (( segid "SEGA" and resid 24  and name HE1  ))
     6 6 0 peak 1113 weight  0.1000E+01 volume 10.58110 ppm1 3.974 ppm2 7.487
ASSI {  1123}
  (( segid "SEGA" and resid 28  and name HB1  ))
  (( segid "SEGA" and resid 24  and name HE1  ))
     6 6 0 peak 1123 weight  0.1000E+01 volume 10.85700 ppm1 2.280 ppm2 7.485
ASSI {  1133}
  (( segid "SEGA" and resid 20  and name HB#  ))
  (( segid "SEGA" and resid 24  and name HE1  ))
     6 6 0 peak 1133 weight  0.1000E+01 volume 7.45460 ppm1 2.123 ppm2 7.487
ASSI {  1143}
  (( segid "SEGA" and resid 5  and name HG1  ))
  (( segid "SEGA" and resid 24  and name HE1  ))
     6 6 0 peak 1143 weight  0.1000E+01 volume 8.59120 ppm1 1.785 ppm2 7.487
ASSI {  1153}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 24  and name HE1  ))
     6 6 0 peak 1153 weight  0.1000E+01 volume 14.81910 ppm1 1.100 ppm2 7.487
ASSI {  1173}
  (( segid "SEGA" and resid 101  and name HD1#  ))
  (( segid "SEGA" and resid 24  and name HE1  ))
     6 6 0 peak 1173 weight  0.1000E+01 volume 17.02310 ppm1 0.674 ppm2 7.485
ASSI {  1183}
  (( segid "SEGA" and resid 18  and name HG1#  ))
  (( segid "SEGA" and resid 24  and name HE1  ))
     6 6 0 peak 1183 weight  0.1000E+01 volume 21.79310 ppm1 0.438 ppm2 7.484
ASSI {  1193}
  (( segid "SEGA" and resid 6  and name HG1#  ))
  (( segid "SEGA" and resid 24  and name HE1  ))
     6 6 0 peak 1193 weight  0.1000E+01 volume 11.17060 ppm1 0.879 ppm2 7.487
ASSI {  1213}
  (( segid "SEGA" and resid 43  and name HH2  ))
  (( segid "SEGA" and resid 43  and name HZ2  ))
     6 6 0 peak 1213 weight  0.1000E+01 volume 11.29770 ppm1 6.880 ppm2 7.487
ASSI {  1223}
  (( segid "SEGA" and resid 43  and name HZ2  ))
  (( segid "SEGA" and resid 43  and name HH2  ))
     6 6 0 peak 1223 weight  0.1000E+01 volume 9.17640 ppm1 7.480 ppm2 6.869
ASSI {  1233}
  (( segid "SEGA" and resid 43  and name HA  ))
  (( segid "SEGA" and resid 43  and name HH2  ))
     6 6 0 peak 1233 weight  0.1000E+01 volume 2.16550 ppm1 4.980 ppm2 6.879
ASSI {  1243}
  (( segid "SEGA" and resid 47  and name HG  ))
  (( segid "SEGA" and resid 43  and name HH2  ))
     6 6 0 peak 1243 weight  0.1000E+01 volume 4.43230 ppm1 1.742 ppm2 6.860
ASSI {  1253}
  (( segid "SEGA" and resid 47  and name HD1#  ))
  (( segid "SEGA" and resid 43  and name HH2  ))
     6 6 0 peak 1253 weight  0.1000E+01 volume 4.09470 ppm1 1.458 ppm2 6.867
ASSI {  1263}
  (( segid "SEGA" and resid 47  and name HD2#  ))
  (( segid "SEGA" and resid 43  and name HH2  ))
     6 6 0 peak 1263 weight  0.1000E+01 volume 1.26510 ppm1 0.900 ppm2 6.876
ASSI {  1273}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 43  and name HH2  ))
     6 6 0 peak 1273 weight  0.1000E+01 volume 4.76860 ppm1 -0.355 ppm2 6.875
ASSI {  1283}
  (( segid "SEGA" and resid 59  and name HA  ))
  (( segid "SEGA" and resid 43  and name HZ2  ))
     6 6 0 peak 1283 weight  0.1000E+01 volume 3.57450 ppm1 5.713 ppm2 7.487
ASSI {  1293}
  (( segid "SEGA" and resid 37  and name HA  ))
  (( segid "SEGA" and resid 43  and name HZ2  ))
     6 6 0 peak 1293 weight  0.1000E+01 volume 7.70160 ppm1 5.288 ppm2 7.487
ASSI {  1303}
  (( segid "SEGA" and resid 43  and name HA  ))
  (( segid "SEGA" and resid 43  and name HZ2  ))
     6 6 0 peak 1303 weight  0.1000E+01 volume 4.19800 ppm1 4.966 ppm2 7.485
ASSI {  1313}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 43  and name HZ2  ))
     6 6 0 peak 1313 weight  0.1000E+01 volume 2.49050 ppm1 -0.364 ppm2 7.491
ASSI {  1323}
  (( segid "SEGA" and resid 47  and name HD2#  ))
  (( segid "SEGA" and resid 43  and name HZ2  ))
     6 6 0 peak 1323 weight  0.1000E+01 volume 4.72850 ppm1 0.885 ppm2 7.484
ASSI {  1333}
  (( segid "SEGA" and resid 37  and name HG2#  ))
  (( segid "SEGA" and resid 43  and name HZ2  ))
     6 6 0 peak 1333 weight  0.1000E+01 volume 5.65950 ppm1 0.948 ppm2 7.482
ASSI {  1343}
  (( segid "SEGA" and resid 47  and name HD1#  ))
  (( segid "SEGA" and resid 43  and name HZ2  ))
     6 6 0 peak 1343 weight  0.1000E+01 volume 5.88690 ppm1 1.464 ppm2 7.483
ASSI {  1363}
  (( segid "SEGA" and resid 43  and name HZ3  ))
  (( segid "SEGA" and resid 43  and name HH2  ))
     6 6 0 peak 1363 weight  0.1000E+01 volume 2.86940 ppm1 7.010 ppm2 6.857
ASSI {  1373}
  (( segid "SEGA" and resid 57  and name HE#  ))
  (( segid "SEGA" and resid 39  and name HD2  ))
     6 6 0 peak 1373 weight  0.1000E+01 volume 7.81570 ppm1 2.105 ppm2 7.295
ASSI {  1383}
  (( segid "SEGA" and resid 56  and name HB2  ))
  (( segid "SEGA" and resid 39  and name HD2  ))
     6 6 0 peak 1383 weight  0.1000E+01 volume 5.93920 ppm1 2.940 ppm2 7.301
ASSI {  1393}
  (( segid "SEGA" and resid 56  and name HB1  ))
  (( segid "SEGA" and resid 39  and name HD2  ))
     6 6 0 peak 1393 weight  0.1000E+01 volume 3.56910 ppm1 3.069 ppm2 7.295
ASSI {  1403}
  (( segid "SEGA" and resid 39  and name HB2  ))
  (( segid "SEGA" and resid 39  and name HD2  ))
     6 6 0 peak 1403 weight  0.1000E+01 volume 5.82290 ppm1 3.182 ppm2 7.295
ASSI {  1413}
  (( segid "SEGA" and resid 39  and name HB1  ))
  (( segid "SEGA" and resid 39  and name HD2  ))
     6 6 0 peak 1413 weight  0.1000E+01 volume 9.05060 ppm1 3.281 ppm2 7.295
ASSI {  1423}
  (( segid "SEGA" and resid 39  and name HA  ))
  (( segid "SEGA" and resid 39  and name HD2  ))
     6 6 0 peak 1423 weight  0.1000E+01 volume 4.43970 ppm1 4.938 ppm2 7.299
ASSI {  1453}
  (( segid "SEGA" and resid 101  and name HG2#  ))
  (( segid "SEGA" and resid 68  and name HE1  ))
     6 6 0 peak 1453 weight  0.1000E+01 volume 14.51810 ppm1 0.674 ppm2 6.853
ASSI {  1463}
  (( segid "SEGA" and resid 30  and name HG1#  ))
  (( segid "SEGA" and resid 68  and name HE1  ))
     6 6 0 peak 1463 weight  0.1000E+01 volume 8.52720 ppm1 0.798 ppm2 6.853
ASSI {  1483}
  (( segid "SEGA" and resid 89  and name HD1#  ))
  (( segid "SEGA" and resid 68  and name HE1  ))
     6 6 0 peak 1483 weight  0.1000E+01 volume 11.26370 ppm1 0.369 ppm2 6.853
ASSI {  1493}
  (( segid "SEGA" and resid 101  and name HB  ))
  (( segid "SEGA" and resid 68  and name HE1  ))
     6 6 0 peak 1493 weight  0.1000E+01 volume 3.41070 ppm1 1.790 ppm2 6.855
ASSI {  1503}
  (( segid "SEGA" and resid 65  and name HA2  ))
  (( segid "SEGA" and resid 68  and name HE1  ))
     6 6 0 peak 1503 weight  0.1000E+01 volume 4.26230 ppm1 3.891 ppm2 6.860
ASSI {  1513}
  (( segid "SEGA" and resid 65  and name HA1  ))
  (( segid "SEGA" and resid 68  and name HE1  ))
     6 6 0 peak 1513 weight  0.1000E+01 volume 2.79870 ppm1 4.251 ppm2 6.862
ASSI {  1523}
  (( segid "SEGA" and resid 68  and name HD1  ))
  (( segid "SEGA" and resid 68  and name HE1  ))
     6 6 0 peak 1523 weight  0.1000E+01 volume 11.03130 ppm1 7.560 ppm2 6.852
ASSI {  1533}
  (( segid "SEGA" and resid 5  and name HA  ))
  (( segid "SEGA" and resid 24  and name HE1  ))
     6 6 0 peak 1533 weight  0.1000E+01 volume 4.53780 ppm1 4.424 ppm2 7.485
ASSI {  1543}
  (( segid "SEGA" and resid 24  and name HA  ))
  (( segid "SEGA" and resid 24  and name HE1  ))
     6 6 0 peak 1543 weight  0.1000E+01 volume 4.03590 ppm1 5.061 ppm2 7.497
ASSI {  1563}
  (( segid "SEGA" and resid 18  and name HG2#  ))
  (( segid "SEGA" and resid 64  and name HD1  ))
     6 6 0 peak 1563 weight  0.1000E+01 volume 1.94110 ppm1 -0.214 ppm2 7.017
ASSI {  1573}
  (( segid "SEGA" and resid 40  and name HB1  ))
  (( segid "SEGA" and resid 43  and name HD1  ))
     6 6 0 peak 1573 weight  0.1000E+01 volume 4.32770 ppm1 2.894 ppm2 7.622
ASSI {  1583}
  (( segid "SEGA" and resid 40  and name HB2  ))
  (( segid "SEGA" and resid 43  and name HD1  ))
     6 6 0 peak 1583 weight  0.1000E+01 volume 3.13190 ppm1 2.647 ppm2 7.618
ASSI {  1593}
  (( segid "SEGA" and resid 43  and name HB2  ))
  (( segid "SEGA" and resid 43  and name HD1  ))
     6 6 0 peak 1593 weight  0.1000E+01 volume 2.46320 ppm1 3.161 ppm2 7.591
ASSI {  1613}
  (( segid "SEGA" and resid 40  and name HA  ))
  (( segid "SEGA" and resid 43  and name HD1  ))
     6 6 0 peak 1613 weight  0.1000E+01 volume 1.58640 ppm1 4.693 ppm2 7.596
ASSI {  1643}
  (( segid "SEGA" and resid 2  and name HA  ))
  (( segid "SEGA" and resid 2  and name HZ  ))
     6 6 0 peak 1643 weight  0.1000E+01 volume 6.85130 ppm1 5.469 ppm2 6.890
ASSI {  1683}
  (( segid "SEGA" and resid 18  and name HG1#  ))
  (( segid "SEGA" and resid 24  and name HD1  ))
     6 6 0 peak 1683 weight  0.1000E+01 volume 10.02280 ppm1 0.445 ppm2 7.248
ASSI {  1693}
  (( segid "SEGA" and resid 2  and name HE1  ))
  (( segid "SEGA" and resid 2  and name HZ  ))
     6 6 0 peak 1693 weight  0.1000E+01 volume 18.08130 ppm1 7.224 ppm2 6.883
ASSI {  1703}
  (( segid "SEGA" and resid 90  and name HD1  ))
  (( segid "SEGA" and resid 90  and name HE1  ))
     6 6 0 peak 1703 weight  0.1000E+01 volume 12.05500 ppm1 6.900 ppm2 7.238
ASSI {  1723}
  (( segid "SEGA" and resid 110  and name HB2  ))
  (( segid "SEGA" and resid 110  and name HD1  ))
     6 6 0 peak 1723 weight  0.1000E+01 volume 1.74250 ppm1 3.198 ppm2 7.247
ASSI {  1743}
  (( segid "SEGA" and resid 6  and name HG1#  ))
  (( segid "SEGA" and resid 24  and name HZ  ))
     6 6 0 peak 1743 weight  0.1000E+01 volume 6.41000 ppm1 0.847 ppm2 7.351
ASSI {  1783}
  (( segid "SEGA" and resid 105  and name HE1  ))
  (( segid "SEGA" and resid 68  and name HD1  ))
     6 6 0 peak 1783 weight  0.1000E+01 volume 5.38500 ppm1 6.610 ppm2 7.555
ASSI {  1803}
  (( segid "SEGA" and resid 104  and name HA  ))
  (( segid "SEGA" and resid 109  and name HE1  ))
     6 6 0 peak 1803 weight  0.1000E+01 volume 5.93690 ppm1 4.943 ppm2 6.541
ASSI {  1813}
  (( segid "SEGA" and resid 69  and name HA  ))
  (( segid "SEGA" and resid 105  and name HE1  ))
     6 6 0 peak 1813 weight  0.1000E+01 volume 5.61030 ppm1 4.968 ppm2 6.639
ASSI {  1823}
  (( segid "SEGA" and resid 80  and name HD1#  ))
  (( segid "SEGA" and resid 78  and name HD2  ))
     6 6 0 peak 1823 weight  0.1000E+01 volume 4.00140 ppm1 0.653 ppm2 6.360
ASSI {  1933}
  (( segid "SEGA" and resid 47  and name HG  ))
  (( segid "SEGA" and resid 43  and name HE3  ))
     6 6 0 peak 1933 weight  0.1000E+01 volume 5.66000 ppm1 1.749 ppm2 8.279
ASSI {  1943}
  (( segid "SEGA" and resid 60  and name HE#  ))
  (( segid "SEGA" and resid 43  and name HH2  ))
     6 6 0 peak 1943 weight  0.1000E+01 volume 3.85740 ppm1 1.857 ppm2 6.874
ASSI {  1993}
  (( segid "SEGA" and resid 110  and name HZ3  ))
  (( segid "SEGA" and resid 110  and name HH2  ))
     6 6 0 peak 1993 weight  0.1000E+01 volume 7.39200 ppm1 7.158 ppm2 7.252
ASSI {  2023}
  (( segid "SEGA" and resid 5  and name HA  ))
  (( segid "SEGA" and resid 24  and name HZ  ))
     6 6 0 peak 2023 weight  0.1000E+01 volume 4.08570 ppm1 4.424 ppm2 7.352
ASSI {  2043}
  (( segid "SEGA" and resid 28  and name HB1  ))
  (( segid "SEGA" and resid 24  and name HZ  ))
     6 6 0 peak 2043 weight  0.1000E+01 volume 6.20900 ppm1 2.264 ppm2 7.349
ASSI {  2053}
  (( segid "SEGA" and resid 101  and name HD1#  ))
  (( segid "SEGA" and resid 24  and name HZ  ))
     6 6 0 peak 2053 weight  0.1000E+01 volume 4.86390 ppm1 0.671 ppm2 7.349
ASSI {  2063}
  (( segid "SEGA" and resid 5  and name HG1  ))
  (( segid "SEGA" and resid 24  and name HZ  ))
     6 6 0 peak 2063 weight  0.1000E+01 volume 5.45800 ppm1 1.765 ppm2 7.337
ASSI {  2073}
  (( segid "SEGA" and resid 20  and name HB#  ))
  (( segid "SEGA" and resid 24  and name HZ  ))
     6 6 0 peak 2073 weight  0.1000E+01 volume 4.58580 ppm1 2.121 ppm2 7.351
ASSI {  2083}
  (( segid "SEGA" and resid 5  and name HG2  ))
  (( segid "SEGA" and resid 24  and name HZ  ))
     6 6 0 peak 2083 weight  0.1000E+01 volume 3.91270 ppm1 1.975 ppm2 7.347
ASSI {  2093}
  (( segid "SEGA" and resid 47  and name HG  ))
  (( segid "SEGA" and resid 43  and name HZ2  ))
     6 6 0 peak 2093 weight  0.1000E+01 volume 2.16030 ppm1 1.732 ppm2 7.482
ASSI {  2103}
  (( segid "SEGA" and resid 37  and name HB  ))
  (( segid "SEGA" and resid 43  and name HZ2  ))
     6 6 0 peak 2103 weight  0.1000E+01 volume 3.95300 ppm1 2.075 ppm2 7.480
ASSI {  2113}
  (( segid "SEGA" and resid 37  and name HG1#  ))
  (( segid "SEGA" and resid 43  and name HZ2  ))
     6 6 0 peak 2113 weight  0.1000E+01 volume 4.55060 ppm1 1.095 ppm2 7.481
ASSI {  2123}
  (( segid "SEGA" and resid 36  and name HG2#  ))
  (( segid "SEGA" and resid 43  and name HZ2  ))
     6 6 0 peak 2123 weight  0.1000E+01 volume 4.46330 ppm1 0.787 ppm2 7.483
ASSI {  2133}
  (( segid "SEGA" and resid 111  and name HD2#  ))
  (( segid "SEGA" and resid 110  and name HZ3  ))
     6 6 0 peak 2133 weight  0.1000E+01 volume 4.86930 ppm1 0.879 ppm2 7.169
ASSI {  2163}
  (( segid "SEGA" and resid 29  and name HD2#  ))
  (( segid "SEGA" and resid 90  and name HZ  ))
     6 6 0 peak 2163 weight  0.1000E+01 volume 3.99660 ppm1 0.913 ppm2 7.266
ASSI {  2193}
  (( segid "SEGA" and resid 111  and name HA  ))
  (( segid "SEGA" and resid 109  and name HD1  ))
     6 6 0 peak 2193 weight  0.1000E+01 volume 4.42360 ppm1 4.227 ppm2 6.653
ASSI {  2203}
  (( segid "SEGA" and resid 111  and name HA  ))
  (( segid "SEGA" and resid 109  and name HE1  ))
     6 6 0 peak 2203 weight  0.1000E+01 volume 2.16900 ppm1 4.229 ppm2 6.544
ASSI {  2213}
  (( segid "SEGA" and resid 109  and name HA  ))
  (( segid "SEGA" and resid 109  and name HE1  ))
     6 6 0 peak 2213 weight  0.1000E+01 volume 3.12620 ppm1 4.417 ppm2 6.540
ASSI {  2223}
  (( segid "SEGA" and resid 110  and name HA  ))
  (( segid "SEGA" and resid 109  and name HE1  ))
     6 6 0 peak 2223 weight  0.1000E+01 volume 3.12620 ppm1 4.507 ppm2 6.541
ASSI {  2233}
  (( segid "SEGA" and resid 69  and name HA  ))
  (( segid "SEGA" and resid 105  and name HD1  ))
     6 6 0 peak 2233 weight  0.1000E+01 volume 5.29670 ppm1 4.979 ppm2 6.949
ASSI {  2243}
  (( segid "SEGA" and resid 104  and name HA  ))
  (( segid "SEGA" and resid 109  and name HD1  ))
     6 6 0 peak 2243 weight  0.1000E+01 volume 1.40610 ppm1 4.939 ppm2 6.667
ASSI {  2283}
  (( segid "SEGA" and resid 29  and name HD2#  ))
  (( segid "SEGA" and resid 90  and name HD1  ))
     6 6 0 peak 2283 weight  0.1000E+01 volume 4.75190 ppm1 0.904 ppm2 6.895
ASSI {  2293}
  (( segid "SEGA" and resid 31  and name HA  ))
  (( segid "SEGA" and resid 68  and name HE1  ))
     6 6 0 peak 2293 weight  0.1000E+01 volume 4.75050 ppm1 5.105 ppm2 6.859
ASSI {  2303}
  (( segid "SEGA" and resid 60  and name HE#  ))
  (( segid "SEGA" and resid 43  and name HZ3  ))
     6 6 0 peak 2303 weight  0.1000E+01 volume 4.58650 ppm1 1.866 ppm2 7.005
ASSI {  2313}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 43  and name HE3  ))
     6 6 0 peak 2313 weight  0.1000E+01 volume 5.41900 ppm1 -0.360 ppm2 8.301
ASSI {  2343}
  (( segid "SEGA" and resid 60  and name HE#  ))
  (( segid "SEGA" and resid 50  and name HE1  ))
     6 6 0 peak 2343 weight  0.1000E+01 volume 6.15850 ppm1 1.871 ppm2 6.935
ASSI {  2383}
  (( segid "SEGA" and resid 30  and name HA  ))
  (( segid "SEGA" and resid 24  and name HD1  ))
     6 6 0 peak 2383 weight  0.1000E+01 volume 4.47950 ppm1 3.966 ppm2 7.254
ASSI {  2393}
  (( segid "SEGA" and resid 5  and name HG2  ))
  (( segid "SEGA" and resid 24  and name HE1  ))
     6 6 0 peak 2393 weight  0.1000E+01 volume 7.20300 ppm1 1.981 ppm2 7.485
ASSI {  2413}
  (( segid "SEGA" and resid 24  and name HB1  ))
  (( segid "SEGA" and resid 24  and name HE1  ))
     6 6 0 peak 2413 weight  0.1000E+01 volume 3.44600 ppm1 3.258 ppm2 7.489
ASSI {  2453}
  (( segid "SEGA" and resid 30  and name HA  ))
  (( segid "SEGA" and resid 24  and name HZ  ))
     6 6 0 peak 2453 weight  0.1000E+01 volume 1.84280 ppm1 3.981 ppm2 7.351
ASSI {  2483}
  (( segid "SEGA" and resid 103  and name HB  ))
  (( segid "SEGA" and resid 105  and name HE1  ))
     6 6 0 peak 2483 weight  0.1000E+01 volume 0.91440 ppm1 2.133 ppm2 6.641
ASSI {  2513}
  (( segid "SEGA" and resid 78  and name HB1  ))
  (( segid "SEGA" and resid 78  and name HD2  ))
     6 6 0 peak 2513 weight  0.1000E+01 volume 2.72960 ppm1 2.860 ppm2 6.357
ASSI {  2553}
  (( segid "SEGA" and resid 52  and name HD1  ))
  (( segid "SEGA" and resid 78  and name HE1  ))
     6 6 0 peak 2553 weight  0.1000E+01 volume 2.21700 ppm1 7.304 ppm2 8.062
ASSI {  2603}
  (( segid "SEGA" and resid 79  and name HB1  ))
  (( segid "SEGA" and resid 90  and name HD1  ))
     6 6 0 peak 2603 weight  0.1000E+01 volume 2.14190 ppm1 2.128 ppm2 6.907
ASSI {  2613}
  (( segid "SEGA" and resid 79  and name HB2  ))
  (( segid "SEGA" and resid 90  and name HD1  ))
     6 6 0 peak 2613 weight  0.1000E+01 volume 3.19750 ppm1 1.958 ppm2 6.917
ASSI {  2683}
  (( segid "SEGA" and resid 19  and name HB1  ))
  (( segid "SEGA" and resid 19  and name HD1  ))
     6 6 0 peak 2683 weight  0.1000E+01 volume 8.24060 ppm1 2.575 ppm2 7.309
ASSI {  2693}
  (( segid "SEGA" and resid 19  and name HB2  ))
  (( segid "SEGA" and resid 19  and name HD1  ))
     6 6 0 peak 2693 weight  0.1000E+01 volume 4.76290 ppm1 3.034 ppm2 7.301
ASSI {  2713}
  (( segid "SEGA" and resid 104  and name HA  ))
  (( segid "SEGA" and resid 105  and name HD1  ))
     6 6 0 peak 2713 weight  0.1000E+01 volume 7.03970 ppm1 4.890 ppm2 6.976
ASSI {  2723}
  (( segid "SEGA" and resid 110  and name HA  ))
  (( segid "SEGA" and resid 105  and name HE1  ))
     6 6 0 peak 2723 weight  0.1000E+01 volume 5.70530 ppm1 4.503 ppm2 6.647
! F3 (1H): 0.03 ppm
! F2 (X): 0.3 ppm
! F1 (1H): 0.03 ppm
!The last digit in peak ID is the spectrum number
assi (( attr rmsd < 6.99  and attr rmsd >  6.93  ) 
  and bondedto( attr rmsd <  133.265  and attr rmsd > 132.665  )) 
     ( attr rmsd < 0.992  and attr rmsd > 0.932  ) 
  6 6 0  peak  13  volume  20.13270 ppm1  6.960  ppm2  0.962
assi (( attr rmsd < 7  and attr rmsd >  6.94  ) 
  and bondedto( attr rmsd <  133.3  and attr rmsd > 132.7  )) 
     ( attr rmsd < 2.696  and attr rmsd > 2.636  ) 
  6 6 0  peak  53  volume  28.55660 ppm1  6.970  ppm2  2.666
assi (( attr rmsd < 6.949  and attr rmsd >  6.889  ) 
  and bondedto( attr rmsd <  118.371  and attr rmsd > 117.771  )) 
     ( attr rmsd < 2.93  and attr rmsd > 2.87  ) 
  6 6 0  peak  143  volume  7.24770 ppm1  6.919  ppm2  2.900
assi (( attr rmsd < 7.081  and attr rmsd >  7.021  ) 
  and bondedto( attr rmsd <  133.38  and attr rmsd > 132.78  )) 
     ( attr rmsd < 4.921  and attr rmsd > 4.861  ) 
  6 6 0  peak  173  volume  14.61700 ppm1  7.051  ppm2  4.891
assi (( attr rmsd < 7.28  and attr rmsd >  7.22  ) 
  and bondedto( attr rmsd <  132.859  and attr rmsd > 132.259  )) 
     ( attr rmsd < 2.535  and attr rmsd > 2.475  ) 
  6 6 0  peak  333  volume  22.07390 ppm1  7.250  ppm2  2.505
assi (( attr rmsd < 7.289  and attr rmsd >  7.229  ) 
  and bondedto( attr rmsd <  130.084  and attr rmsd > 129.484  )) 
     ( attr rmsd < 4.062  and attr rmsd > 4.002  ) 
  6 6 0  peak  513  volume  10.24460 ppm1  7.259  ppm2  4.032
assi (( attr rmsd < 7.283  and attr rmsd >  7.223  ) 
  and bondedto( attr rmsd <  130.084  and attr rmsd > 129.484  )) 
     ( attr rmsd < 4.243  and attr rmsd > 4.183  ) 
  6 6 0  peak  523  volume  8.06020 ppm1  7.253  ppm2  4.213
assi (( attr rmsd < 7.301  and attr rmsd >  7.241  ) 
  and bondedto( attr rmsd <  130.084  and attr rmsd > 129.484  )) 
     ( attr rmsd < 3.318  and attr rmsd > 3.258  ) 
  6 6 0  peak  533  volume  4.26140 ppm1  7.271  ppm2  3.288
assi (( attr rmsd < 7.293  and attr rmsd >  7.233  ) 
  and bondedto( attr rmsd <  130.084  and attr rmsd > 129.484  )) 
     ( attr rmsd < 3.221  and attr rmsd > 3.161  ) 
  6 6 0  peak  543  volume  10.23320 ppm1  7.263  ppm2  3.191
assi (( attr rmsd < 6.939  and attr rmsd >  6.879  ) 
  and bondedto( attr rmsd <  118.437  and attr rmsd > 117.837  )) 
     ( attr rmsd < 1.412  and attr rmsd > 1.352  ) 
  6 6 0  peak  583  volume  8.90530 ppm1  6.909  ppm2  1.382
assi (( attr rmsd < 7.26  and attr rmsd >  7.2  ) 
  and bondedto( attr rmsd <  131.993  and attr rmsd > 131.393  )) 
     ( attr rmsd < 7.069  and attr rmsd > 7.009  ) 
  6 6 0  peak  653  volume  163.54871 ppm1  7.230  ppm2  7.039
assi (( attr rmsd < 7.285  and attr rmsd >  7.225  ) 
  and bondedto( attr rmsd <  130.084  and attr rmsd > 129.484  )) 
     ( attr rmsd < 5.398  and attr rmsd > 5.338  ) 
  6 6 0  peak  693  volume  5.52580 ppm1  7.255  ppm2  5.368
assi (( attr rmsd < 7.278  and attr rmsd >  7.218  ) 
  and bondedto( attr rmsd <  132.859  and attr rmsd > 132.259  )) 
     ( attr rmsd < 2.155  and attr rmsd > 2.095  ) 
  6 6 0  peak  743  volume  45.13850 ppm1  7.248  ppm2  2.125
assi (( attr rmsd < 7.263  and attr rmsd >  7.203  ) 
  and bondedto( attr rmsd <  131.78  and attr rmsd > 131.18  )) 
     ( attr rmsd < 3.845  and attr rmsd > 3.785  ) 
  6 6 0  peak  803  volume  10.21010 ppm1  7.233  ppm2  3.815
assi (( attr rmsd < 7.263  and attr rmsd >  7.203  ) 
  and bondedto( attr rmsd <  131.565  and attr rmsd > 130.965  )) 
     ( attr rmsd < 0.927  and attr rmsd > 0.867  ) 
  6 6 0  peak  833  volume  49.43460 ppm1  7.233  ppm2  0.897
assi (( attr rmsd < 7.255  and attr rmsd >  7.195  ) 
  and bondedto( attr rmsd <  132.025  and attr rmsd > 131.425  )) 
     ( attr rmsd < 0.494  and attr rmsd > 0.434  ) 
  6 6 0  peak  843  volume  25.48500 ppm1  7.225  ppm2  0.464
assi (( attr rmsd < 6.939  and attr rmsd >  6.879  ) 
  and bondedto( attr rmsd <  132.025  and attr rmsd > 131.425  )) 
     ( attr rmsd < 1.578  and attr rmsd > 1.518  ) 
  6 6 0  peak  903  volume  11.83580 ppm1  6.909  ppm2  1.548
assi (( attr rmsd < 6.942  and attr rmsd >  6.882  ) 
  and bondedto( attr rmsd <  118.437  and attr rmsd > 117.837  )) 
     ( attr rmsd < 0.521  and attr rmsd > 0.461  ) 
  6 6 0  peak  923  volume  6.59910 ppm1  6.912  ppm2  0.491
assi (( attr rmsd < 7.258  and attr rmsd >  7.198  ) 
  and bondedto( attr rmsd <  133.5  and attr rmsd > 132.9  )) 
     ( attr rmsd < 4.867  and attr rmsd > 4.807  ) 
  6 6 0  peak  953  volume  6.53800 ppm1  7.228  ppm2  4.837
assi (( attr rmsd < 6.674  and attr rmsd >  6.614  ) 
  and bondedto( attr rmsd <  118.221  and attr rmsd > 117.621  )) 
     ( attr rmsd < 0.902  and attr rmsd > 0.842  ) 
  6 6 0  peak  1013  volume  1.77890 ppm1  6.644  ppm2  0.872
assi (( attr rmsd < 6.684  and attr rmsd >  6.624  ) 
  and bondedto( attr rmsd <  118.41  and attr rmsd > 117.81  )) 
     ( attr rmsd < 1.837  and attr rmsd > 1.777  ) 
  6 6 0  peak  1033  volume  3.20180 ppm1  6.654  ppm2  1.807
assi (( attr rmsd < 7.266  and attr rmsd >  7.206  ) 
  and bondedto( attr rmsd <  132.887  and attr rmsd > 132.287  )) 
     ( attr rmsd < 3.62  and attr rmsd > 3.56  ) 
  6 6 0  peak  1073  volume  15.50240 ppm1  7.236  ppm2  3.590
assi (( attr rmsd < 7.268  and attr rmsd >  7.208  ) 
  and bondedto( attr rmsd <  132.887  and attr rmsd > 132.287  )) 
     ( attr rmsd < 3.511  and attr rmsd > 3.451  ) 
  6 6 0  peak  1083  volume  25.27960 ppm1  7.238  ppm2  3.481
assi (( attr rmsd < 7.517  and attr rmsd >  7.457  ) 
  and bondedto( attr rmsd <  131.78  and attr rmsd > 131.18  )) 
     ( attr rmsd < 0.833  and attr rmsd > 0.773  ) 
  6 6 0  peak  1163  volume  14.71650 ppm1  7.487  ppm2  0.803
assi (( attr rmsd < 6.949  and attr rmsd >  6.889  ) 
  and bondedto( attr rmsd <  118.437  and attr rmsd > 117.837  )) 
     ( attr rmsd < 0.994  and attr rmsd > 0.934  ) 
  6 6 0  peak  1203  volume  22.60560 ppm1  6.919  ppm2  0.964
assi (( attr rmsd < 7.512  and attr rmsd >  7.452  ) 
  and bondedto( attr rmsd <  114.52  and attr rmsd > 113.92  )) 
     ( attr rmsd < 1.552  and attr rmsd > 1.492  ) 
  6 6 0  peak  1353  volume  3.85660 ppm1  7.482  ppm2  1.522
assi (( attr rmsd < 7.262  and attr rmsd >  7.202  ) 
  and bondedto( attr rmsd <  131.565  and attr rmsd > 130.965  )) 
     ( attr rmsd < 0.371  and attr rmsd > 0.311  ) 
  6 6 0  peak  1433  volume  5.36160 ppm1  7.232  ppm2  0.341
assi (( attr rmsd < 7.289  and attr rmsd >  7.229  ) 
  and bondedto( attr rmsd <  132.08  and attr rmsd > 131.48  )) 
     ( attr rmsd < 1.58  and attr rmsd > 1.52  ) 
  6 6 0  peak  1443  volume  8.02710 ppm1  7.259  ppm2  1.550
assi (( attr rmsd < 6.885  and attr rmsd >  6.825  ) 
  and bondedto( attr rmsd <  131.593  and attr rmsd > 130.993  )) 
     ( attr rmsd < 0.491  and attr rmsd > 0.431  ) 
  6 6 0  peak  1473  volume  10.94530 ppm1  6.855  ppm2  0.461
assi (( attr rmsd < 7.522  and attr rmsd >  7.462  ) 
  and bondedto( attr rmsd <  131.78  and attr rmsd > 131.18  )) 
     ( attr rmsd < 3.56  and attr rmsd > 3.5  ) 
  6 6 0  peak  1553  volume  4.77850 ppm1  7.492  ppm2  3.530
assi (( attr rmsd < 7.621  and attr rmsd >  7.561  ) 
  and bondedto( attr rmsd <  128.358  and attr rmsd > 127.758  )) 
     ( attr rmsd < 3.309  and attr rmsd > 3.249  ) 
  6 6 0  peak  1603  volume  1.12760 ppm1  7.591  ppm2  3.279
assi (( attr rmsd < 6.671  and attr rmsd >  6.611  ) 
  and bondedto( attr rmsd <  118.221  and attr rmsd > 117.621  )) 
     ( attr rmsd < 1.675  and attr rmsd > 1.615  ) 
  6 6 0  peak  1623  volume  2.36850 ppm1  6.641  ppm2  1.645
assi (( attr rmsd < 6.915  and attr rmsd >  6.855  ) 
  and bondedto( attr rmsd <  129.221  and attr rmsd > 128.621  )) 
     ( attr rmsd < 3.925  and attr rmsd > 3.865  ) 
  6 6 0  peak  1633  volume  2.39640 ppm1  6.885  ppm2  3.895
assi (( attr rmsd < 6.877  and attr rmsd >  6.817  ) 
  and bondedto( attr rmsd <  128.142  and attr rmsd > 127.542  )) 
     ( attr rmsd < 0.833  and attr rmsd > 0.773  ) 
  6 6 0  peak  1653  volume  11.34200 ppm1  6.847  ppm2  0.803
assi (( attr rmsd < 6.883  and attr rmsd >  6.823  ) 
  and bondedto( attr rmsd <  128.142  and attr rmsd > 127.542  )) 
     ( attr rmsd < 0.487  and attr rmsd > 0.427  ) 
  6 6 0  peak  1663  volume  7.78470 ppm1  6.853  ppm2  0.457
assi (( attr rmsd < 6.883  and attr rmsd >  6.823  ) 
  and bondedto( attr rmsd <  128.142  and attr rmsd > 127.542  )) 
     ( attr rmsd < 0.694  and attr rmsd > 0.634  ) 
  6 6 0  peak  1673  volume  5.38860 ppm1  6.853  ppm2  0.664
assi (( attr rmsd < 7.289  and attr rmsd >  7.229  ) 
  and bondedto( attr rmsd <  132.025  and attr rmsd > 131.425  )) 
     ( attr rmsd < 1.49  and attr rmsd > 1.43  ) 
  6 6 0  peak  1713  volume  12.03400 ppm1  7.259  ppm2  1.460
assi (( attr rmsd < 7.379  and attr rmsd >  7.319  ) 
  and bondedto( attr rmsd <  129.408  and attr rmsd > 128.808  )) 
     ( attr rmsd < 7.523  and attr rmsd > 7.463  ) 
  6 6 0  peak  1733  volume  21.22920 ppm1  7.349  ppm2  7.493
assi (( attr rmsd < 8.092  and attr rmsd >  8.032  ) 
  and bondedto( attr rmsd <  138.25  and attr rmsd > 137.65  )) 
     ( attr rmsd < 2.954  and attr rmsd > 2.894  ) 
  6 6 0  peak  1753  volume  5.09110 ppm1  8.062  ppm2  2.924
assi (( attr rmsd < 8.099  and attr rmsd >  8.039  ) 
  and bondedto( attr rmsd <  138.25  and attr rmsd > 137.65  )) 
     ( attr rmsd < 2.828  and attr rmsd > 2.768  ) 
  6 6 0  peak  1763  volume  1.86100 ppm1  8.069  ppm2  2.798
assi (( attr rmsd < 7.588  and attr rmsd >  7.528  ) 
  and bondedto( attr rmsd <  133.29  and attr rmsd > 132.69  )) 
     ( attr rmsd < 7.269  and attr rmsd > 7.209  ) 
  6 6 0  peak  1773  volume  12.53520 ppm1  7.558  ppm2  7.239
assi (( attr rmsd < 7.586  and attr rmsd >  7.526  ) 
  and bondedto( attr rmsd <  133.29  and attr rmsd > 132.69  )) 
     ( attr rmsd < 6.524  and attr rmsd > 6.464  ) 
  6 6 0  peak  1793  volume  6.71680 ppm1  7.556  ppm2  6.494
assi (( attr rmsd < 6.937  and attr rmsd >  6.877  ) 
  and bondedto( attr rmsd <  118.411  and attr rmsd > 117.811  )) 
     ( attr rmsd < 0.388  and attr rmsd > 0.328  ) 
  6 6 0  peak  1833  volume  1.47220 ppm1  6.907  ppm2  0.358
assi (( attr rmsd < 6.942  and attr rmsd >  6.882  ) 
  and bondedto( attr rmsd <  118.411  and attr rmsd > 117.811  )) 
     ( attr rmsd < 0.611  and attr rmsd > 0.551  ) 
  6 6 0  peak  1843  volume  2.77030 ppm1  6.912  ppm2  0.581
assi (( attr rmsd < 6.946  and attr rmsd >  6.886  ) 
  and bondedto( attr rmsd <  118.411  and attr rmsd > 117.811  )) 
     ( attr rmsd < 1.716  and attr rmsd > 1.656  ) 
  6 6 0  peak  1853  volume  15.84630 ppm1  6.916  ppm2  1.686
assi (( attr rmsd < 6.94  and attr rmsd >  6.88  ) 
  and bondedto( attr rmsd <  118.411  and attr rmsd > 117.811  )) 
     ( attr rmsd < 1.585  and attr rmsd > 1.525  ) 
  6 6 0  peak  1863  volume  5.39270 ppm1  6.910  ppm2  1.555
assi (( attr rmsd < 6.998  and attr rmsd >  6.938  ) 
  and bondedto( attr rmsd <  120.351  and attr rmsd > 119.751  )) 
     ( attr rmsd < 7.268  and attr rmsd > 7.208  ) 
  6 6 0  peak  1873  volume  19.66250 ppm1  6.968  ppm2  7.238
assi (( attr rmsd < 7.134  and attr rmsd >  7.074  ) 
  and bondedto( attr rmsd <  120.351  and attr rmsd > 119.751  )) 
     ( attr rmsd < 6.208  and attr rmsd > 6.148  ) 
  6 6 0  peak  1883  volume  7.85810 ppm1  7.104  ppm2  6.178
assi (( attr rmsd < 7.006  and attr rmsd >  6.946  ) 
  and bondedto( attr rmsd <  120.351  and attr rmsd > 119.751  )) 
     ( attr rmsd < 3.925  and attr rmsd > 3.865  ) 
  6 6 0  peak  1893  volume  1.55420 ppm1  6.976  ppm2  3.895
assi (( attr rmsd < 7.008  and attr rmsd >  6.948  ) 
  and bondedto( attr rmsd <  120.351  and attr rmsd > 119.751  )) 
     ( attr rmsd < 4.859  and attr rmsd > 4.799  ) 
  6 6 0  peak  1903  volume  1.35520 ppm1  6.978  ppm2  4.829
assi (( attr rmsd < 6.999  and attr rmsd >  6.939  ) 
  and bondedto( attr rmsd <  120.351  and attr rmsd > 119.751  )) 
     ( attr rmsd < 1.486  and attr rmsd > 1.426  ) 
  6 6 0  peak  1913  volume  1.92020 ppm1  6.969  ppm2  1.456
assi (( attr rmsd < 7.134  and attr rmsd >  7.074  ) 
  and bondedto( attr rmsd <  120.351  and attr rmsd > 119.751  )) 
     ( attr rmsd < 0.918  and attr rmsd > 0.858  ) 
  6 6 0  peak  1923  volume  2.43370 ppm1  7.104  ppm2  0.888
assi (( attr rmsd < 6.906  and attr rmsd >  6.846  ) 
  and bondedto( attr rmsd <  124.449  and attr rmsd > 123.849  )) 
     ( attr rmsd < 2.236  and attr rmsd > 2.176  ) 
  6 6 0  peak  1953  volume  3.09270 ppm1  6.876  ppm2  2.206
assi (( attr rmsd < 6.894  and attr rmsd >  6.834  ) 
  and bondedto( attr rmsd <  124.449  and attr rmsd > 123.849  )) 
     ( attr rmsd < 1.259  and attr rmsd > 1.199  ) 
  6 6 0  peak  1963  volume  2.97370 ppm1  6.864  ppm2  1.229
assi (( attr rmsd < 6.894  and attr rmsd >  6.834  ) 
  and bondedto( attr rmsd <  124.449  and attr rmsd > 123.849  )) 
     ( attr rmsd < 0.763  and attr rmsd > 0.703  ) 
  6 6 0  peak  1973  volume  1.00580 ppm1  6.864  ppm2  0.733
assi (( attr rmsd < 7.281  and attr rmsd >  7.221  ) 
  and bondedto( attr rmsd <  125.096  and attr rmsd > 124.496  )) 
     ( attr rmsd < 7.496  and attr rmsd > 7.436  ) 
  6 6 0  peak  1983  volume  4.87480 ppm1  7.251  ppm2  7.466
assi (( attr rmsd < 7.286  and attr rmsd >  7.226  ) 
  and bondedto( attr rmsd <  127.468  and attr rmsd > 126.868  )) 
     ( attr rmsd < 7.163  and attr rmsd > 7.103  ) 
  6 6 0  peak  2003  volume  9.52520 ppm1  7.256  ppm2  7.133
assi (( attr rmsd < 6.88  and attr rmsd >  6.82  ) 
  and bondedto( attr rmsd <  128.114  and attr rmsd > 127.514  )) 
     ( attr rmsd < 7.595  and attr rmsd > 7.535  ) 
  6 6 0  peak  2013  volume  2.00090 ppm1  6.850  ppm2  7.565
assi (( attr rmsd < 7.389  and attr rmsd >  7.329  ) 
  and bondedto( attr rmsd <  129.408  and attr rmsd > 128.808  )) 
     ( attr rmsd < 3.572  and attr rmsd > 3.512  ) 
  6 6 0  peak  2033  volume  3.98770 ppm1  7.359  ppm2  3.542
assi (( attr rmsd < 6.908  and attr rmsd >  6.848  ) 
  and bondedto( attr rmsd <  124.449  and attr rmsd > 123.849  )) 
     ( attr rmsd < 8.295  and attr rmsd > 8.235  ) 
  6 6 0  peak  2143  volume  0.91300 ppm1  6.878  ppm2  8.265
assi (( attr rmsd < 7.087  and attr rmsd >  7.027  ) 
  and bondedto( attr rmsd <  129.84  and attr rmsd > 129.24  )) 
     ( attr rmsd < 7.273  and attr rmsd > 7.213  ) 
  6 6 0  peak  2153  volume  8.83500 ppm1  7.057  ppm2  7.243
assi (( attr rmsd < 7.382  and attr rmsd >  7.322  ) 
  and bondedto( attr rmsd <  129.408  and attr rmsd > 128.808  )) 
     ( attr rmsd < 0.475  and attr rmsd > 0.415  ) 
  6 6 0  peak  2173  volume  3.64550 ppm1  7.352  ppm2  0.445
assi (( attr rmsd < 7.686  and attr rmsd >  7.626  ) 
  and bondedto( attr rmsd <  128.114  and attr rmsd > 127.514  )) 
     ( attr rmsd < 4.465  and attr rmsd > 4.405  ) 
  6 6 0  peak  2183  volume  9.91690 ppm1  7.656  ppm2  4.435
assi (( attr rmsd < 7.627  and attr rmsd >  7.567  ) 
  and bondedto( attr rmsd <  121.214  and attr rmsd > 120.614  )) 
     ( attr rmsd < 1.74  and attr rmsd > 1.68  ) 
  6 6 0  peak  2253  volume  1.38330 ppm1  7.597  ppm2  1.710
assi (( attr rmsd < 7.187  and attr rmsd >  7.127  ) 
  and bondedto( attr rmsd <  122.508  and attr rmsd > 121.908  )) 
     ( attr rmsd < 1.735  and attr rmsd > 1.675  ) 
  6 6 0  peak  2263  volume  1.28510 ppm1  7.157  ppm2  1.705
assi (( attr rmsd < 7.277  and attr rmsd >  7.217  ) 
  and bondedto( attr rmsd <  125.096  and attr rmsd > 124.496  )) 
     ( attr rmsd < 6.057  and attr rmsd > 5.997  ) 
  6 6 0  peak  2273  volume  1.84590 ppm1  7.247  ppm2  6.027
assi (( attr rmsd < 7.259  and attr rmsd >  7.199  ) 
  and bondedto( attr rmsd <  133.506  and attr rmsd > 132.906  )) 
     ( attr rmsd < 4.099  and attr rmsd > 4.039  ) 
  6 6 0  peak  2323  volume  5.07550 ppm1  7.229  ppm2  4.069
assi (( attr rmsd < 6.903  and attr rmsd >  6.843  ) 
  and bondedto( attr rmsd <  129.193  and attr rmsd > 128.593  )) 
     ( attr rmsd < 2.54  and attr rmsd > 2.48  ) 
  6 6 0  peak  2333  volume  2.21750 ppm1  6.873  ppm2  2.510
assi (( attr rmsd < 6.97  and attr rmsd >  6.91  ) 
  and bondedto( attr rmsd <  118.626  and attr rmsd > 118.026  )) 
     ( attr rmsd < 7.232  and attr rmsd > 7.172  ) 
  6 6 0  peak  2353  volume  15.51750 ppm1  6.940  ppm2  7.202
assi (( attr rmsd < 6.97  and attr rmsd >  6.91  ) 
  and bondedto( attr rmsd <  118.626  and attr rmsd > 118.026  )) 
     ( attr rmsd < 4.866  and attr rmsd > 4.806  ) 
  6 6 0  peak  2363  volume  4.85070 ppm1  6.940  ppm2  4.836
assi (( attr rmsd < 7.28  and attr rmsd >  7.22  ) 
  and bondedto( attr rmsd <  132.859  and attr rmsd > 132.259  )) 
     ( attr rmsd < 4.58  and attr rmsd > 4.52  ) 
  6 6 0  peak  2373  volume  5.79330 ppm1  7.250  ppm2  4.550
assi (( attr rmsd < 7.519  and attr rmsd >  7.459  ) 
  and bondedto( attr rmsd <  131.78  and attr rmsd > 131.18  )) 
     ( attr rmsd < 2.501  and attr rmsd > 2.441  ) 
  6 6 0  peak  2403  volume  4.19280 ppm1  7.489  ppm2  2.471
assi (( attr rmsd < 7.521  and attr rmsd >  7.461  ) 
  and bondedto( attr rmsd <  131.78  and attr rmsd > 131.18  )) 
     ( attr rmsd < 1.488  and attr rmsd > 1.428  ) 
  6 6 0  peak  2423  volume  6.17270 ppm1  7.491  ppm2  1.458
assi (( attr rmsd < 7.286  and attr rmsd >  7.226  ) 
  and bondedto( attr rmsd <  131.565  and attr rmsd > 130.965  )) 
     ( attr rmsd < 5.39  and attr rmsd > 5.33  ) 
  6 6 0  peak  2433  volume  5.04840 ppm1  7.256  ppm2  5.360
assi (( attr rmsd < 7.272  and attr rmsd >  7.212  ) 
  and bondedto( attr rmsd <  131.565  and attr rmsd > 130.965  )) 
     ( attr rmsd < 4.227  and attr rmsd > 4.167  ) 
  6 6 0  peak  2443  volume  2.73490 ppm1  7.242  ppm2  4.197
assi (( attr rmsd < 7.581  and attr rmsd >  7.521  ) 
  and bondedto( attr rmsd <  133.29  and attr rmsd > 132.69  )) 
     ( attr rmsd < 3.132  and attr rmsd > 3.072  ) 
  6 6 0  peak  2463  volume  5.23330 ppm1  7.551  ppm2  3.102
assi (( attr rmsd < 7.003  and attr rmsd >  6.943  ) 
  and bondedto( attr rmsd <  133.29  and attr rmsd > 132.69  )) 
     ( attr rmsd < 1.496  and attr rmsd > 1.436  ) 
  6 6 0  peak  2473  volume  2.27170 ppm1  6.973  ppm2  1.466
assi (( attr rmsd < 6.968  and attr rmsd >  6.908  ) 
  and bondedto( attr rmsd <  133.29  and attr rmsd > 132.69  )) 
     ( attr rmsd < 1.823  and attr rmsd > 1.763  ) 
  6 6 0  peak  2493  volume  2.03660 ppm1  6.938  ppm2  1.793
assi (( attr rmsd < 7.254  and attr rmsd >  7.194  ) 
  and bondedto( attr rmsd <  133.506  and attr rmsd > 132.906  )) 
     ( attr rmsd < 1.48  and attr rmsd > 1.42  ) 
  6 6 0  peak  2503  volume  6.60420 ppm1  7.224  ppm2  1.450
assi (( attr rmsd < 6.88  and attr rmsd >  6.82  ) 
  and bondedto( attr rmsd <  131.565  and attr rmsd > 130.965  )) 
     ( attr rmsd < 2.279  and attr rmsd > 2.219  ) 
  6 6 0  peak  2523  volume  4.21370 ppm1  6.850  ppm2  2.249
assi (( attr rmsd < 7.593  and attr rmsd >  7.533  ) 
  and bondedto( attr rmsd <  133.29  and attr rmsd > 132.69  )) 
     ( attr rmsd < 1.414  and attr rmsd > 1.354  ) 
  6 6 0  peak  2533  volume  4.48860 ppm1  7.563  ppm2  1.384
assi (( attr rmsd < 7.006  and attr rmsd >  6.946  ) 
  and bondedto( attr rmsd <  120.351  and attr rmsd > 119.751  )) 
     ( attr rmsd < 1.76  and attr rmsd > 1.7  ) 
  6 6 0  peak  2543  volume  2.58670 ppm1  6.976  ppm2  1.730
assi (( attr rmsd < 6.676  and attr rmsd >  6.616  ) 
  and bondedto( attr rmsd <  118.195  and attr rmsd > 117.595  )) 
     ( attr rmsd < 8.478  and attr rmsd > 8.418  ) 
  6 6 0  peak  2563  volume  2.08680 ppm1  6.646  ppm2  8.448
assi (( attr rmsd < 7.598  and attr rmsd >  7.538  ) 
  and bondedto( attr rmsd <  133.29  and attr rmsd > 132.69  )) 
     ( attr rmsd < 4.417  and attr rmsd > 4.357  ) 
  6 6 0  peak  2573  volume  1.65950 ppm1  7.568  ppm2  4.387
assi (( attr rmsd < 7.619  and attr rmsd >  7.559  ) 
  and bondedto( attr rmsd <  133.29  and attr rmsd > 132.69  )) 
     ( attr rmsd < 1.815  and attr rmsd > 1.755  ) 
  6 6 0  peak  2583  volume  7.11560 ppm1  7.589  ppm2  1.785
assi (( attr rmsd < 7.628  and attr rmsd >  7.568  ) 
  and bondedto( attr rmsd <  121.214  and attr rmsd > 120.614  )) 
     ( attr rmsd < 3.055  and attr rmsd > 2.995  ) 
  6 6 0  peak  2593  volume  1.31290 ppm1  7.598  ppm2  3.025
assi (( attr rmsd < 7.28  and attr rmsd >  7.22  ) 
  and bondedto( attr rmsd <  132.859  and attr rmsd > 132.259  )) 
     ( attr rmsd < 4.468  and attr rmsd > 4.408  ) 
  6 6 0  peak  2623  volume  5.23670 ppm1  7.250  ppm2  4.438
assi (( attr rmsd < 7.094  and attr rmsd >  7.034  ) 
  and bondedto( attr rmsd <  130.055  and attr rmsd > 129.455  )) 
     ( attr rmsd < 1.596  and attr rmsd > 1.536  ) 
  6 6 0  peak  2633  volume  4.68430 ppm1  7.064  ppm2  1.566
assi (( attr rmsd < 7.091  and attr rmsd >  7.031  ) 
  and bondedto( attr rmsd <  130.055  and attr rmsd > 129.455  )) 
     ( attr rmsd < 0.475  and attr rmsd > 0.415  ) 
  6 6 0  peak  2643  volume  4.39440 ppm1  7.061  ppm2  0.445
assi (( attr rmsd < 7.091  and attr rmsd >  7.031  ) 
  and bondedto( attr rmsd <  130.055  and attr rmsd > 129.455  )) 
     ( attr rmsd < 1.679  and attr rmsd > 1.619  ) 
  6 6 0  peak  2653  volume  5.80320 ppm1  7.061  ppm2  1.649
assi (( attr rmsd < 6.919  and attr rmsd >  6.859  ) 
  and bondedto( attr rmsd <  129.193  and attr rmsd > 128.593  )) 
     ( attr rmsd < 3.497  and attr rmsd > 3.437  ) 
  6 6 0  peak  2663  volume  2.96200 ppm1  6.889  ppm2  3.467
assi (( attr rmsd < 7.32  and attr rmsd >  7.26  ) 
  and bondedto( attr rmsd <  132.643  and attr rmsd > 132.043  )) 
     ( attr rmsd < 1.006  and attr rmsd > 0.946  ) 
  6 6 0  peak  2673  volume  9.38810 ppm1  7.290  ppm2  0.976
assi (( attr rmsd < 7.325  and attr rmsd >  7.265  ) 
  and bondedto( attr rmsd <  132.643  and attr rmsd > 132.043  )) 
     ( attr rmsd < 1.227  and attr rmsd > 1.167  ) 
  6 6 0  peak  2703  volume  9.02880 ppm1  7.295  ppm2  1.197
!
!
!The last digit in peak ID is the spectrum number

ASSI {    01}
  (( segid "SEGA" and resid 65  and name HN  ))
  (( segid "SEGA" and resid 64  and name HN  ))
     6 6 0 peak 01 weight  0.1000E+01 volume 32.85280 ppm1 8.353 ppm2 9.690
ASSI {    11}
  (( segid "SEGA" and resid 65  and name HN  ))
  (( segid "SEGA" and resid 65  and name HA1  ))
     6 6 0 peak 11 weight  0.1000E+01 volume 164.83270 ppm1 8.353 ppm2 4.251
ASSI {    41}
  (( segid "SEGA" and resid 65  and name HN  ))
  (( segid "SEGA" and resid 65  and name HA2  ))
     6 6 0 peak 41 weight  0.1000E+01 volume 167.16750 ppm1 8.353 ppm2 3.785
ASSI {    51}
  (( segid "SEGA" and resid 17  and name HN  ))
  (( segid "SEGA" and resid 16  and name HA  ))
     6 6 0 peak 51 weight  0.1000E+01 volume 294.27469 ppm1 9.073 ppm2 4.819
ASSI {    71}
  (( segid "SEGA" and resid 17  and name HN  ))
  (( segid "SEGA" and resid 9  and name HN  ))
     6 6 0 peak 71 weight  0.1000E+01 volume 134.82021 ppm1 9.073 ppm2 8.563
ASSI {    91}
  (( segid "SEGA" and resid 30  and name HN  ))
  (( segid "SEGA" and resid 29  and name HA  ))
     6 6 0 peak 91 weight  0.1000E+01 volume 92.56610 ppm1 9.248 ppm2 4.091
ASSI {   101}
  (( segid "SEGA" and resid 30  and name HN  ))
  (( segid "SEGA" and resid 30  and name HG2#  ))
     6 6 0 peak 101 weight  0.1000E+01 volume 187.40131 ppm1 9.248 ppm2 0.376
ASSI {   111}
  (( segid "SEGA" and resid 37  and name HN  ))
  (( segid "SEGA" and resid 36  and name HA  ))
     6 6 0 peak 111 weight  0.1000E+01 volume 105.22870 ppm1 8.545 ppm2 4.365
ASSI {   121}
  (( segid "SEGA" and resid 37  and name HN  ))
  (( segid "SEGA" and resid 37  and name HB  ))
     6 6 0 peak 121 weight  0.1000E+01 volume 309.66199 ppm1 8.545 ppm2 2.031
ASSI {   131}
  (( segid "SEGA" and resid 37  and name HN  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 131 weight  0.1000E+01 volume 154.70140 ppm1 8.545 ppm2 1.063
ASSI {   141}
  (( segid "SEGA" and resid 8  and name HN  ))
  (( segid "SEGA" and resid 7  and name HA  ))
     6 6 0 peak 141 weight  0.1000E+01 volume 156.46339 ppm1 8.548 ppm2 4.909
ASSI {   151}
  (( segid "SEGA" and resid 8  and name HN  ))
  (( segid "SEGA" and resid 8  and name HB  ))
     6 6 0 peak 151 weight  0.1000E+01 volume 167.53810 ppm1 8.548 ppm2 2.050
ASSI {   171}
  (( segid "SEGA" and resid 8  and name HN  ))
  (( segid "SEGA" and resid 8  and name HG1#  ))
     6 6 0 peak 171 weight  0.1000E+01 volume 288.54779 ppm1 8.548 ppm2 0.914
ASSI {   181}
  (( segid "SEGA" and resid 8  and name HN  ))
  (( segid "SEGA" and resid 8  and name HG2#  ))
     6 6 0 peak 181 weight  0.1000E+01 volume 132.82491 ppm1 8.548 ppm2 0.414
ASSI {   191}
  (( segid "SEGA" and resid 32  and name HN  ))
  (( segid "SEGA" and resid 31  and name HA  ))
     6 6 0 peak 191 weight  0.1000E+01 volume 266.11389 ppm1 7.801 ppm2 5.047
ASSI {   211}
  (( segid "SEGA" and resid 32  and name HN  ))
  (( segid "SEGA" and resid 32  and name HB1  ))
     6 6 0 peak 211 weight  0.1000E+01 volume 356.40701 ppm1 7.801 ppm2 1.981
ASSI {   221}
  (( segid "SEGA" and resid 32  and name HN  ))
  (( segid "SEGA" and resid 32  and name HA  ))
     6 6 0 peak 221 weight  0.1000E+01 volume 71.53510 ppm1 7.801 ppm2 5.294
ASSI {   231}
  (( segid "SEGA" and resid 63  and name HN  ))
  (( segid "SEGA" and resid 63  and name HA2  ))
     6 6 0 peak 231 weight  0.1000E+01 volume 36.20200 ppm1 7.982 ppm2 3.250
ASSI {   241}
  (( segid "SEGA" and resid 38  and name HN  ))
  (( segid "SEGA" and resid 37  and name HA  ))
     6 6 0 peak 241 weight  0.1000E+01 volume 197.02319 ppm1 9.314 ppm2 5.247
ASSI {   251}
  (( segid "SEGA" and resid 38  and name HN  ))
  (( segid "SEGA" and resid 38  and name HA  ))
     6 6 0 peak 251 weight  0.1000E+01 volume 88.12250 ppm1 9.314 ppm2 4.956
ASSI {   271}
  (( segid "SEGA" and resid 80  and name HN  ))
  (( segid "SEGA" and resid 80  and name HA  ))
     6 6 0 peak 271 weight  0.1000E+01 volume 53.39780 ppm1 8.623 ppm2 5.296
ASSI {   311}
  (( segid "SEGA" and resid 80  and name HN  ))
  (( segid "SEGA" and resid 80  and name HB1  ))
     6 6 0 peak 311 weight  0.1000E+01 volume 262.21701 ppm1 8.623 ppm2 1.595
ASSI {   321}
  (( segid "SEGA" and resid 80  and name HN  ))
  (( segid "SEGA" and resid 80  and name HG  ))
     6 6 0 peak 321 weight  0.1000E+01 volume 191.12250 ppm1 8.623 ppm2 1.341
ASSI {   331}
  (( segid "SEGA" and resid 80  and name HN  ))
  (( segid "SEGA" and resid 80  and name HD2#  ))
     6 6 0 peak 331 weight  0.1000E+01 volume 72.55790 ppm1 8.623 ppm2 0.566
ASSI {   351}
  (( segid "SEGA" and resid 38  and name HN  ))
  (( segid "SEGA" and resid 37  and name HB  ))
     6 6 0 peak 351 weight  0.1000E+01 volume 32.04320 ppm1 9.314 ppm2 2.048
ASSI {   381}
  (( segid "SEGA" and resid 119  and name HN  ))
  (( segid "SEGA" and resid 118  and name HA  ))
     6 6 0 peak 381 weight  0.1000E+01 volume 211.18190 ppm1 8.068 ppm2 4.435
ASSI {   391}
  (( segid "SEGA" and resid 119  and name HN  ))
  (( segid "SEGA" and resid 118  and name HB1  ))
     6 6 0 peak 391 weight  0.1000E+01 volume 30.52990 ppm1 8.068 ppm2 2.207
ASSI {   401}
  (( segid "SEGA" and resid 119  and name HN  ))
  (( segid "SEGA" and resid 119  and name HB1  ))
     6 6 0 peak 401 weight  0.1000E+01 volume 27.26090 ppm1 8.068 ppm2 2.727
ASSI {   411}
  (( segid "SEGA" and resid 29  and name HN  ))
  (( segid "SEGA" and resid 28  and name HN  ))
     6 6 0 peak 411 weight  0.1000E+01 volume 36.71020 ppm1 8.772 ppm2 7.656
ASSI {   441}
  (( segid "SEGA" and resid 29  and name HN  ))
  (( segid "SEGA" and resid 29  and name HB1  ))
     6 6 0 peak 441 weight  0.1000E+01 volume 371.63519 ppm1 8.772 ppm2 1.939
ASSI {   461}
  (( segid "SEGA" and resid 29  and name HN  ))
  (( segid "SEGA" and resid 28  and name HA  ))
     6 6 0 peak 461 weight  0.1000E+01 volume 357.60550 ppm1 8.772 ppm2 4.479
ASSI {   481}
  (( segid "SEGA" and resid 29  and name HN  ))
  (( segid "SEGA" and resid 28  and name HB1  ))
     6 6 0 peak 481 weight  0.1000E+01 volume 237.18469 ppm1 8.772 ppm2 2.226
ASSI {   491}
  (( segid "SEGA" and resid 29  and name HN  ))
  (( segid "SEGA" and resid 29  and name HB2  ))
     6 6 0 peak 491 weight  0.1000E+01 volume 287.35779 ppm1 8.772 ppm2 1.461
ASSI {   501}
  (( segid "SEGA" and resid 29  and name HN  ))
  (( segid "SEGA" and resid 29  and name HG  ))
     6 6 0 peak 501 weight  0.1000E+01 volume 124.04710 ppm1 8.772 ppm2 0.894
ASSI {   511}
  (( segid "SEGA" and resid 29  and name HN  ))
  (( segid "SEGA" and resid 29  and name HD1#  ))
     6 6 0 peak 511 weight  0.1000E+01 volume 91.19090 ppm1 8.772 ppm2 0.335
ASSI {   521}
  (( segid "SEGA" and resid 90  and name HN  ))
  (( segid "SEGA" and resid 90  and name HA  ))
     6 6 0 peak 521 weight  0.1000E+01 volume 33.80930 ppm1 8.700 ppm2 5.546
ASSI {   531}
  (( segid "SEGA" and resid 19  and name HN  ))
  (( segid "SEGA" and resid 19  and name HD1  ))
     6 6 0 peak 531 weight  0.1000E+01 volume 171.02800 ppm1 9.419 ppm2 7.268
ASSI {   541}
  (( segid "SEGA" and resid 19  and name HN  ))
  (( segid "SEGA" and resid 19  and name HB1  ))
     6 6 0 peak 541 weight  0.1000E+01 volume 63.72100 ppm1 9.419 ppm2 2.523
ASSI {   551}
  (( segid "SEGA" and resid 19  and name HN  ))
  (( segid "SEGA" and resid 18  and name HA  ))
     6 6 0 peak 551 weight  0.1000E+01 volume 253.29950 ppm1 9.419 ppm2 4.207
ASSI {   561}
  (( segid "SEGA" and resid 90  and name HN  ))
  (( segid "SEGA" and resid 90  and name HB1  ))
     6 6 0 peak 561 weight  0.1000E+01 volume 47.74310 ppm1 8.700 ppm2 2.839
ASSI {   571}
  (( segid "SEGA" and resid 90  and name HN  ))
  (( segid "SEGA" and resid 90  and name HD1  ))
     6 6 0 peak 571 weight  0.1000E+01 volume 169.34770 ppm1 8.700 ppm2 6.885
ASSI {   581}
  (( segid "SEGA" and resid 90  and name HN  ))
  (( segid "SEGA" and resid 89  and name HA  ))
     6 6 0 peak 581 weight  0.1000E+01 volume 399.72281 ppm1 8.700 ppm2 5.001
ASSI {   611}
  (( segid "SEGA" and resid 90  and name HN  ))
  (( segid "SEGA" and resid 77  and name HN  ))
     6 6 0 peak 611 weight  0.1000E+01 volume 120.71660 ppm1 8.700 ppm2 9.198
ASSI {   621}
  (( segid "SEGA" and resid 90  and name HN  ))
  (( segid "SEGA" and resid 90  and name HB2  ))
     6 6 0 peak 621 weight  0.1000E+01 volume 33.42620 ppm1 8.700 ppm2 2.478
ASSI {   631}
  (( segid "SEGA" and resid 46  and name HN  ))
  (( segid "SEGA" and resid 45  and name HN  ))
     6 6 0 peak 631 weight  0.1000E+01 volume 310.40289 ppm1 8.007 ppm2 8.225
ASSI {   641}
  (( segid "SEGA" and resid 46  and name HN  ))
  (( segid "SEGA" and resid 42  and name HA  ))
     6 6 0 peak 641 weight  0.1000E+01 volume 254.08321 ppm1 8.007 ppm2 4.637
ASSI {   651}
  (( segid "SEGA" and resid 46  and name HN  ))
  (( segid "SEGA" and resid 45  and name HA  ))
     6 6 0 peak 651 weight  0.1000E+01 volume 116.07540 ppm1 8.007 ppm2 4.298
ASSI {   661}
  (( segid "SEGA" and resid 46  and name HN  ))
  (( segid "SEGA" and resid 46  and name HA  ))
     6 6 0 peak 661 weight  0.1000E+01 volume 209.53889 ppm1 8.007 ppm2 3.523
ASSI {   691}
  (( segid "SEGA" and resid 46  and name HN  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 691 weight  0.1000E+01 volume 310.84869 ppm1 8.007 ppm2 -0.018
ASSI {   721}
  (( segid "SEGA" and resid 54  and name HN  ))
  (( segid "SEGA" and resid 54  and name HD1  ))
     6 6 0 peak 721 weight  0.1000E+01 volume 148.66020 ppm1 8.673 ppm2 3.583
ASSI {   731}
  (( segid "SEGA" and resid 54  and name HN  ))
  (( segid "SEGA" and resid 55  and name HN  ))
     6 6 0 peak 731 weight  0.1000E+01 volume 60.49220 ppm1 8.673 ppm2 9.224
ASSI {   741}
  (( segid "SEGA" and resid 54  and name HN  ))
  (( segid "SEGA" and resid 53  and name HA  ))
     6 6 0 peak 741 weight  0.1000E+01 volume 345.32932 ppm1 8.673 ppm2 5.476
ASSI {   761}
  (( segid "SEGA" and resid 100  and name HN  ))
  (( segid "SEGA" and resid 100  and name HB2  ))
     6 6 0 peak 761 weight  0.1000E+01 volume 385.79910 ppm1 8.673 ppm2 1.823
ASSI {   781}
  (( segid "SEGA" and resid 59  and name HN  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 781 weight  0.1000E+01 volume 154.85860 ppm1 9.186 ppm2 1.370
ASSI {   801}
  (( segid "SEGA" and resid 59  and name HN  ))
  (( segid "SEGA" and resid 58  and name HA  ))
     6 6 0 peak 801 weight  0.1000E+01 volume 349.19601 ppm1 9.186 ppm2 5.589
ASSI {   821}
  (( segid "SEGA" and resid 88  and name HN  ))
  (( segid "SEGA" and resid 88  and name HB1  ))
     6 6 0 peak 821 weight  0.1000E+01 volume 46.34870 ppm1 8.918 ppm2 1.363
ASSI {   841}
  (( segid "SEGA" and resid 54  and name HN  ))
  (( segid "SEGA" and resid 54  and name HA  ))
     6 6 0 peak 841 weight  0.1000E+01 volume 793.02399 ppm1 8.673 ppm2 4.435
ASSI {   851}
  (( segid "SEGA" and resid 54  and name HN  ))
  (( segid "SEGA" and resid 57  and name HG2  ))
     6 6 0 peak 851 weight  0.1000E+01 volume 151.36011 ppm1 8.673 ppm2 2.478
ASSI {   871}
  (( segid "SEGA" and resid 54  and name HN  ))
  (( segid "SEGA" and resid 57  and name HN  ))
     6 6 0 peak 871 weight  0.1000E+01 volume 25.22220 ppm1 8.673 ppm2 7.818
ASSI {   881}
  (( segid "SEGA" and resid 76  and name HN  ))
  (( segid "SEGA" and resid 75  and name HN  ))
     6 6 0 peak 881 weight  0.1000E+01 volume 323.56549 ppm1 8.610 ppm2 7.701
ASSI {   891}
  (( segid "SEGA" and resid 76  and name HN  ))
  (( segid "SEGA" and resid 76  and name HA  ))
     6 6 0 peak 891 weight  0.1000E+01 volume 214.47141 ppm1 8.610 ppm2 5.026
ASSI {   901}
  (( segid "SEGA" and resid 76  and name HN  ))
  (( segid "SEGA" and resid 75  and name HA  ))
     6 6 0 peak 901 weight  0.1000E+01 volume 285.64969 ppm1 8.610 ppm2 4.592
ASSI {   931}
  (( segid "SEGA" and resid 76  and name HN  ))
  (( segid "SEGA" and resid 76  and name HB#  ))
     6 6 0 peak 931 weight  0.1000E+01 volume 262.02719 ppm1 8.610 ppm2 0.962
ASSI {   951}
  (( segid "SEGA" and resid 40  and name HN  ))
  (( segid "SEGA" and resid 40  and name HB2  ))
     6 6 0 peak 951 weight  0.1000E+01 volume 99.49520 ppm1 8.307 ppm2 2.616
ASSI {   981}
  (( segid "SEGA" and resid 40  and name HN  ))
  (( segid "SEGA" and resid 40  and name HB1  ))
     6 6 0 peak 981 weight  0.1000E+01 volume 187.73199 ppm1 8.307 ppm2 2.836
ASSI {  1011}
  (( segid "SEGA" and resid 20  and name HN  ))
  (( segid "SEGA" and resid 100  and name HA  ))
     6 6 0 peak 1011 weight  0.1000E+01 volume 34.78230 ppm1 8.804 ppm2 3.547
ASSI {  1021}
  (( segid "SEGA" and resid 20  and name HN  ))
  (( segid "SEGA" and resid 19  and name HB1  ))
     6 6 0 peak 1021 weight  0.1000E+01 volume 39.45210 ppm1 8.808 ppm2 2.517
ASSI {  1041}
  (( segid "SEGA" and resid 20  and name HN  ))
  (( segid "SEGA" and resid 101  and name HD1#  ))
     6 6 0 peak 1041 weight  0.1000E+01 volume 43.27110 ppm1 8.804 ppm2 0.645
ASSI {  1051}
  (( segid "SEGA" and resid 20  and name HN  ))
  (( segid "SEGA" and resid 19  and name HA  ))
     6 6 0 peak 1051 weight  0.1000E+01 volume 297.82330 ppm1 8.804 ppm2 5.088
ASSI {  1061}
  (( segid "SEGA" and resid 20  and name HN  ))
  (( segid "SEGA" and resid 20  and name HA  ))
     6 6 0 peak 1061 weight  0.1000E+01 volume 86.31360 ppm1 8.804 ppm2 4.638
ASSI {  1071}
  (( segid "SEGA" and resid 20  and name HN  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 1071 weight  0.1000E+01 volume 205.96111 ppm1 8.804 ppm2 2.098
ASSI {  1081}
  (( segid "SEGA" and resid 116  and name HN  ))
  (( segid "SEGA" and resid 115  and name HA  ))
     6 6 0 peak 1081 weight  0.1000E+01 volume 270.41910 ppm1 8.303 ppm2 4.363
ASSI {  1091}
  (( segid "SEGA" and resid 116  and name HN  ))
  (( segid "SEGA" and resid 116  and name HB2  ))
     6 6 0 peak 1091 weight  0.1000E+01 volume 281.01999 ppm1 8.303 ppm2 1.708
ASSI {  1101}
  (( segid "SEGA" and resid 9  and name HN  ))
  (( segid "SEGA" and resid 17  and name HN  ))
     6 6 0 peak 1101 weight  0.1000E+01 volume 34.41900 ppm1 8.580 ppm2 9.071
ASSI {  1111}
  (( segid "SEGA" and resid 113  and name HN  ))
  (( segid "SEGA" and resid 112  and name HA  ))
     6 6 0 peak 1111 weight  0.1000E+01 volume 281.63321 ppm1 7.768 ppm2 4.410
ASSI {  1121}
  (( segid "SEGA" and resid 113  and name HN  ))
  (( segid "SEGA" and resid 112  and name HB1  ))
     6 6 0 peak 1121 weight  0.1000E+01 volume 20.60800 ppm1 7.768 ppm2 3.840
ASSI {  1141}
  (( segid "SEGA" and resid 36  and name HN  ))
  (( segid "SEGA" and resid 35  and name HA  ))
     6 6 0 peak 1141 weight  0.1000E+01 volume 170.82300 ppm1 8.749 ppm2 5.344
ASSI {  1151}
  (( segid "SEGA" and resid 36  and name HN  ))
  (( segid "SEGA" and resid 36  and name HB  ))
     6 6 0 peak 1151 weight  0.1000E+01 volume 169.54390 ppm1 8.749 ppm2 1.769
ASSI {  1161}
  (( segid "SEGA" and resid 9  and name HN  ))
  (( segid "SEGA" and resid 9  and name HA  ))
     6 6 0 peak 1161 weight  0.1000E+01 volume 87.39980 ppm1 8.580 ppm2 4.858
ASSI {  1171}
  (( segid "SEGA" and resid 16  and name HN  ))
  (( segid "SEGA" and resid 15  and name HA2  ))
     6 6 0 peak 1171 weight  0.1000E+01 volume 334.98450 ppm1 8.544 ppm2 3.816
ASSI {  1181}
  (( segid "SEGA" and resid 16  and name HN  ))
  (( segid "SEGA" and resid 15  and name HA1  ))
     6 6 0 peak 1181 weight  0.1000E+01 volume 159.11020 ppm1 8.544 ppm2 4.180
ASSI {  1191}
  (( segid "SEGA" and resid 16  and name HN  ))
  (( segid "SEGA" and resid 16  and name HB1  ))
     6 6 0 peak 1191 weight  0.1000E+01 volume 184.16150 ppm1 8.544 ppm2 2.664
ASSI {  1201}
  (( segid "SEGA" and resid 118  and name HN  ))
  (( segid "SEGA" and resid 118  and name HA  ))
     6 6 0 peak 1201 weight  0.1000E+01 volume 20.77540 ppm1 8.350 ppm2 4.411
ASSI {  1211}
  (( segid "SEGA" and resid 33  and name HN  ))
  (( segid "SEGA" and resid 32  and name HA  ))
     6 6 0 peak 1211 weight  0.1000E+01 volume 180.86400 ppm1 9.401 ppm2 5.294
ASSI {  1241}
  (( segid "SEGA" and resid 25  and name HN  ))
  (( segid "SEGA" and resid 24  and name HA  ))
     6 6 0 peak 1241 weight  0.1000E+01 volume 206.87570 ppm1 9.192 ppm2 5.022
ASSI {  1251}
  (( segid "SEGA" and resid 25  and name HN  ))
  (( segid "SEGA" and resid 25  and name HA  ))
     6 6 0 peak 1251 weight  0.1000E+01 volume 259.30630 ppm1 9.192 ppm2 4.560
ASSI {  1261}
  (( segid "SEGA" and resid 25  and name HN  ))
  (( segid "SEGA" and resid 25  and name HB1  ))
     6 6 0 peak 1261 weight  0.1000E+01 volume 333.58649 ppm1 9.192 ppm2 2.232
ASSI {  1271}
  (( segid "SEGA" and resid 25  and name HN  ))
  (( segid "SEGA" and resid 25  and name HB2  ))
     6 6 0 peak 1271 weight  0.1000E+01 volume 255.48790 ppm1 9.192 ppm2 1.959
ASSI {  1301}
  (( segid "SEGA" and resid 26  and name HN  ))
  (( segid "SEGA" and resid 26  and name HB2  ))
     6 6 0 peak 1301 weight  0.1000E+01 volume 209.72861 ppm1 8.926 ppm2 1.434
ASSI {  1311}
  (( segid "SEGA" and resid 26  and name HN  ))
  (( segid "SEGA" and resid 25  and name HB1  ))
     6 6 0 peak 1311 weight  0.1000E+01 volume 250.76180 ppm1 8.926 ppm2 2.252
ASSI {  1321}
  (( segid "SEGA" and resid 26  and name HN  ))
  (( segid "SEGA" and resid 25  and name HB2  ))
     6 6 0 peak 1321 weight  0.1000E+01 volume 212.47670 ppm1 8.926 ppm2 1.959
ASSI {  1331}
  (( segid "SEGA" and resid 26  and name HN  ))
  (( segid "SEGA" and resid 26  and name HB1  ))
     6 6 0 peak 1331 weight  0.1000E+01 volume 205.23140 ppm1 8.926 ppm2 1.733
ASSI {  1341}
  (( segid "SEGA" and resid 36  and name HN  ))
  (( segid "SEGA" and resid 36  and name HG2#  ))
     6 6 0 peak 1341 weight  0.1000E+01 volume 123.22030 ppm1 8.749 ppm2 0.906
ASSI {  1351}
  (( segid "SEGA" and resid 25  and name HN  ))
  (( segid "SEGA" and resid 24  and name HB1  ))
     6 6 0 peak 1351 weight  0.1000E+01 volume 84.52770 ppm1 9.192 ppm2 3.207
ASSI {  1361}
  (( segid "SEGA" and resid 25  and name HN  ))
  (( segid "SEGA" and resid 25  and name HG1  ))
     6 6 0 peak 1361 weight  0.1000E+01 volume 386.59180 ppm1 9.192 ppm2 2.458
ASSI {  1371}
  (( segid "SEGA" and resid 26  and name HN  ))
  (( segid "SEGA" and resid 26  and name HG2  ))
     6 6 0 peak 1371 weight  0.1000E+01 volume 31.30140 ppm1 8.926 ppm2 1.030
ASSI {  1381}
  (( segid "SEGA" and resid 26  and name HN  ))
  (( segid "SEGA" and resid 26  and name HA  ))
     6 6 0 peak 1381 weight  0.1000E+01 volume 74.42200 ppm1 8.926 ppm2 3.568
ASSI {  1391}
  (( segid "SEGA" and resid 95  and name HN  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 1391 weight  0.1000E+01 volume 243.29320 ppm1 8.427 ppm2 1.051
ASSI {  1401}
  (( segid "SEGA" and resid 95  and name HN  ))
  (( segid "SEGA" and resid 24  and name HN  ))
     6 6 0 peak 1401 weight  0.1000E+01 volume 57.11930 ppm1 8.427 ppm2 9.459
ASSI {  1411}
  (( segid "SEGA" and resid 95  and name HN  ))
  (( segid "SEGA" and resid 94  and name HA  ))
     6 6 0 peak 1411 weight  0.1000E+01 volume 576.87982 ppm1 8.427 ppm2 4.591
ASSI {  1421}
  (( segid "SEGA" and resid 95  and name HN  ))
  (( segid "SEGA" and resid 95  and name HA  ))
     6 6 0 peak 1421 weight  0.1000E+01 volume 120.38120 ppm1 8.427 ppm2 4.386
ASSI {  1431}
  (( segid "SEGA" and resid 95  and name HN  ))
  (( segid "SEGA" and resid 94  and name HB1  ))
     6 6 0 peak 1431 weight  0.1000E+01 volume 144.74899 ppm1 8.427 ppm2 2.527
ASSI {  1441}
  (( segid "SEGA" and resid 95  and name HN  ))
  (( segid "SEGA" and resid 95  and name HB  ))
     6 6 0 peak 1441 weight  0.1000E+01 volume 258.91519 ppm1 8.427 ppm2 1.821
ASSI {  1451}
  (( segid "SEGA" and resid 99  and name HN  ))
  (( segid "SEGA" and resid 98  and name HN  ))
     6 6 0 peak 1451 weight  0.1000E+01 volume 212.67990 ppm1 8.149 ppm2 8.837
ASSI {  1461}
  (( segid "SEGA" and resid 99  and name HN  ))
  (( segid "SEGA" and resid 99  and name HA  ))
     6 6 0 peak 1461 weight  0.1000E+01 volume 83.23450 ppm1 8.149 ppm2 4.457
ASSI {  1471}
  (( segid "SEGA" and resid 99  and name HN  ))
  (( segid "SEGA" and resid 98  and name HA2  ))
     6 6 0 peak 1471 weight  0.1000E+01 volume 175.89720 ppm1 8.149 ppm2 3.773
ASSI {  1481}
  (( segid "SEGA" and resid 99  and name HN  ))
  (( segid "SEGA" and resid 97  and name HA  ))
     6 6 0 peak 1481 weight  0.1000E+01 volume 205.47200 ppm1 8.149 ppm2 3.207
ASSI {  1491}
  (( segid "SEGA" and resid 99  and name HN  ))
  (( segid "SEGA" and resid 99  and name HG1  ))
     6 6 0 peak 1491 weight  0.1000E+01 volume 377.44611 ppm1 8.149 ppm2 2.472
ASSI {  1501}
  (( segid "SEGA" and resid 99  and name HN  ))
  (( segid "SEGA" and resid 99  and name HB1  ))
     6 6 0 peak 1501 weight  0.1000E+01 volume 1124.14258 ppm1 8.149 ppm2 2.254
ASSI {  1511}
  (( segid "SEGA" and resid 99  and name HN  ))
  (( segid "SEGA" and resid 96  and name HB#  ))
     6 6 0 peak 1511 weight  0.1000E+01 volume 97.20310 ppm1 8.149 ppm2 1.482
ASSI {  1541}
  (( segid "SEGA" and resid 34  and name HN  ))
  (( segid "SEGA" and resid 33  and name HA  ))
     6 6 0 peak 1541 weight  0.1000E+01 volume 149.27499 ppm1 7.989 ppm2 4.933
ASSI {  1551}
  (( segid "SEGA" and resid 89  and name HN  ))
  (( segid "SEGA" and resid 88  and name HA  ))
     6 6 0 peak 1551 weight  0.1000E+01 volume 337.81210 ppm1 8.321 ppm2 5.115
ASSI {  1591}
  (( segid "SEGA" and resid 24  and name HN  ))
  (( segid "SEGA" and resid 95  and name HN  ))
     6 6 0 peak 1591 weight  0.1000E+01 volume 74.04310 ppm1 9.447 ppm2 8.429
ASSI {  1601}
  (( segid "SEGA" and resid 24  and name HN  ))
  (( segid "SEGA" and resid 23  and name HB1  ))
     6 6 0 peak 1601 weight  0.1000E+01 volume 323.34821 ppm1 9.447 ppm2 4.022
ASSI {  1611}
  (( segid "SEGA" and resid 24  and name HN  ))
  (( segid "SEGA" and resid 24  and name HB2  ))
     6 6 0 peak 1611 weight  0.1000E+01 volume 115.02790 ppm1 9.447 ppm2 2.902
ASSI {  1631}
  (( segid "SEGA" and resid 24  and name HN  ))
  (( segid "SEGA" and resid 24  and name HD1  ))
     6 6 0 peak 1631 weight  0.1000E+01 volume 285.94449 ppm1 9.447 ppm2 7.203
ASSI {  1641}
  (( segid "SEGA" and resid 24  and name HN  ))
  (( segid "SEGA" and resid 24  and name HA  ))
     6 6 0 peak 1641 weight  0.1000E+01 volume 172.48019 ppm1 9.447 ppm2 5.005
ASSI {  1651}
  (( segid "SEGA" and resid 24  and name HN  ))
  (( segid "SEGA" and resid 24  and name HB1  ))
     6 6 0 peak 1651 weight  0.1000E+01 volume 89.89960 ppm1 9.447 ppm2 3.205
ASSI {  1661}
  (( segid "SEGA" and resid 24  and name HN  ))
  (( segid "SEGA" and resid 25  and name HN  ))
     6 6 0 peak 1661 weight  0.1000E+01 volume 22.80430 ppm1 9.447 ppm2 9.179
ASSI {  1671}
  (( segid "SEGA" and resid 115  and name HN  ))
  (( segid "SEGA" and resid 115  and name HA  ))
     6 6 0 peak 1671 weight  0.1000E+01 volume 293.06720 ppm1 8.367 ppm2 4.407
ASSI {  1681}
  (( segid "SEGA" and resid 10  and name HN  ))
  (( segid "SEGA" and resid 10  and name HD1  ))
     6 6 0 peak 1681 weight  0.1000E+01 volume 121.03450 ppm1 8.352 ppm2 1.794
ASSI {  1701}
  (( segid "SEGA" and resid 10  and name HN  ))
  (( segid "SEGA" and resid 10  and name HG1  ))
     6 6 0 peak 1701 weight  0.1000E+01 volume 123.57690 ppm1 8.353 ppm2 1.596
ASSI {  1711}
  (( segid "SEGA" and resid 10  and name HN  ))
  (( segid "SEGA" and resid 9  and name HA  ))
     6 6 0 peak 1711 weight  0.1000E+01 volume 120.27900 ppm1 8.348 ppm2 4.846
ASSI {  1741}
  (( segid "SEGA" and resid 60  and name HN  ))
  (( segid "SEGA" and resid 59  and name HA  ))
     6 6 0 peak 1741 weight  0.1000E+01 volume 130.30009 ppm1 8.743 ppm2 5.725
ASSI {  1751}
  (( segid "SEGA" and resid 60  and name HN  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 1751 weight  0.1000E+01 volume 114.39960 ppm1 8.743 ppm2 1.368
ASSI {  1781}
  (( segid "SEGA" and resid 93  and name HN  ))
  (( segid "SEGA" and resid 92  and name HN  ))
     6 6 0 peak 1781 weight  0.1000E+01 volume 255.09450 ppm1 8.118 ppm2 9.002
ASSI {  1801}
  (( segid "SEGA" and resid 93  and name HN  ))
  (( segid "SEGA" and resid 93  and name HA  ))
     6 6 0 peak 1801 weight  0.1000E+01 volume 402.09000 ppm1 8.118 ppm2 4.637
ASSI {  1851}
  (( segid "SEGA" and resid 109  and name HN  ))
  (( segid "SEGA" and resid 109  and name HD1  ))
     6 6 0 peak 1851 weight  0.1000E+01 volume 37.01090 ppm1 7.944 ppm2 6.590
ASSI {  1871}
  (( segid "SEGA" and resid 28  and name HN  ))
  (( segid "SEGA" and resid 91  and name HN  ))
     6 6 0 peak 1871 weight  0.1000E+01 volume 43.63940 ppm1 7.670 ppm2 9.167
ASSI {  1891}
  (( segid "SEGA" and resid 28  and name HN  ))
  (( segid "SEGA" and resid 28  and name HA  ))
     6 6 0 peak 1891 weight  0.1000E+01 volume 202.75230 ppm1 7.670 ppm2 4.478
ASSI {  1901}
  (( segid "SEGA" and resid 28  and name HN  ))
  (( segid "SEGA" and resid 27  and name HA1  ))
     6 6 0 peak 1901 weight  0.1000E+01 volume 138.97090 ppm1 7.670 ppm2 4.227
ASSI {  1931}
  (( segid "SEGA" and resid 28  and name HN  ))
  (( segid "SEGA" and resid 28  and name HB1  ))
     6 6 0 peak 1931 weight  0.1000E+01 volume 294.34280 ppm1 7.670 ppm2 2.225
ASSI {  1951}
  (( segid "SEGA" and resid 28  and name HN  ))
  (( segid "SEGA" and resid 27  and name HN  ))
     6 6 0 peak 1951 weight  0.1000E+01 volume 351.27869 ppm1 7.670 ppm2 7.923
ASSI {  1981}
  (( segid "SEGA" and resid 111  and name HN  ))
  (( segid "SEGA" and resid 110  and name HN  ))
     6 6 0 peak 1981 weight  0.1000E+01 volume 50.58540 ppm1 7.581 ppm2 7.863
ASSI {  1991}
  (( segid "SEGA" and resid 43  and name HN  ))
  (( segid "SEGA" and resid 43  and name HA  ))
     6 6 0 peak 1991 weight  0.1000E+01 volume 111.22900 ppm1 7.370 ppm2 4.973
ASSI {  2001}
  (( segid "SEGA" and resid 43  and name HN  ))
  (( segid "SEGA" and resid 43  and name HB1  ))
     6 6 0 peak 2001 weight  0.1000E+01 volume 197.61659 ppm1 7.370 ppm2 3.478
ASSI {  2011}
  (( segid "SEGA" and resid 43  and name HN  ))
  (( segid "SEGA" and resid 42  and name HN  ))
     6 6 0 peak 2011 weight  0.1000E+01 volume 218.11360 ppm1 7.370 ppm2 8.384
ASSI {  2021}
  (( segid "SEGA" and resid 43  and name HN  ))
  (( segid "SEGA" and resid 40  and name HA  ))
     6 6 0 peak 2021 weight  0.1000E+01 volume 246.99741 ppm1 7.370 ppm2 4.638
ASSI {  2031}
  (( segid "SEGA" and resid 43  and name HN  ))
  (( segid "SEGA" and resid 43  and name HB2  ))
     6 6 0 peak 2031 weight  0.1000E+01 volume 292.70929 ppm1 7.370 ppm2 3.115
ASSI {  2041}
  (( segid "SEGA" and resid 79  and name HN  ))
  (( segid "SEGA" and resid 89  and name HA  ))
     6 6 0 peak 2041 weight  0.1000E+01 volume 29.14130 ppm1 9.100 ppm2 5.000
ASSI {  2051}
  (( segid "SEGA" and resid 79  and name HN  ))
  (( segid "SEGA" and resid 79  and name HB2  ))
     6 6 0 peak 2051 weight  0.1000E+01 volume 156.80550 ppm1 9.100 ppm2 1.891
ASSI {  2061}
  (( segid "SEGA" and resid 79  and name HN  ))
  (( segid "SEGA" and resid 78  and name HA  ))
     6 6 0 peak 2061 weight  0.1000E+01 volume 285.97470 ppm1 9.100 ppm2 5.843
ASSI {  2071}
  (( segid "SEGA" and resid 79  and name HN  ))
  (( segid "SEGA" and resid 79  and name HA  ))
     6 6 0 peak 2071 weight  0.1000E+01 volume 90.76200 ppm1 9.100 ppm2 4.514
ASSI {  2081}
  (( segid "SEGA" and resid 79  and name HN  ))
  (( segid "SEGA" and resid 78  and name HB2  ))
     6 6 0 peak 2081 weight  0.1000E+01 volume 40.21780 ppm1 9.100 ppm2 2.570
ASSI {  2091}
  (( segid "SEGA" and resid 79  and name HN  ))
  (( segid "SEGA" and resid 79  and name HG1  ))
     6 6 0 peak 2091 weight  0.1000E+01 volume 292.30759 ppm1 9.100 ppm2 2.071
ASSI {  2101}
  (( segid "SEGA" and resid 79  and name HN  ))
  (( segid "SEGA" and resid 78  and name HB1  ))
     6 6 0 peak 2101 weight  0.1000E+01 volume 71.47190 ppm1 9.100 ppm2 2.798
ASSI {  2111}
  (( segid "SEGA" and resid 109  and name HN  ))
  (( segid "SEGA" and resid 109  and name HB1  ))
     6 6 0 peak 2111 weight  0.1000E+01 volume 231.52690 ppm1 7.944 ppm2 2.966
ASSI {  2121}
  (( segid "SEGA" and resid 109  and name HN  ))
  (( segid "SEGA" and resid 109  and name HB2  ))
     6 6 0 peak 2121 weight  0.1000E+01 volume 278.10690 ppm1 7.944 ppm2 2.702
ASSI {  2131}
  (( segid "SEGA" and resid 48  and name HN  ))
  (( segid "SEGA" and resid 47  and name HA  ))
     6 6 0 peak 2131 weight  0.1000E+01 volume 133.52510 ppm1 7.403 ppm2 4.767
ASSI {  2141}
  (( segid "SEGA" and resid 48  and name HN  ))
  (( segid "SEGA" and resid 48  and name HA  ))
     6 6 0 peak 2141 weight  0.1000E+01 volume 326.64960 ppm1 7.403 ppm2 3.750
ASSI {  2151}
  (( segid "SEGA" and resid 48  and name HN  ))
  (( segid "SEGA" and resid 48  and name HB1  ))
     6 6 0 peak 2151 weight  0.1000E+01 volume 316.51971 ppm1 7.403 ppm2 2.067
ASSI {  2161}
  (( segid "SEGA" and resid 48  and name HN  ))
  (( segid "SEGA" and resid 48  and name HB2  ))
     6 6 0 peak 2161 weight  0.1000E+01 volume 478.22659 ppm1 7.403 ppm2 1.976
ASSI {  2171}
  (( segid "SEGA" and resid 48  and name HN  ))
  (( segid "SEGA" and resid 47  and name HN  ))
     6 6 0 peak 2171 weight  0.1000E+01 volume 162.20100 ppm1 7.403 ppm2 8.910
ASSI {  2181}
  (( segid "SEGA" and resid 48  and name HN  ))
  (( segid "SEGA" and resid 49  and name HN  ))
     6 6 0 peak 2181 weight  0.1000E+01 volume 112.79300 ppm1 7.403 ppm2 8.565
ASSI {  2191}
  (( segid "SEGA" and resid 48  and name HN  ))
  (( segid "SEGA" and resid 48  and name HG1  ))
     6 6 0 peak 2191 weight  0.1000E+01 volume 354.60229 ppm1 7.403 ppm2 2.337
ASSI {  2211}
  (( segid "SEGA" and resid 41  and name HN  ))
  (( segid "SEGA" and resid 42  and name HN  ))
     6 6 0 peak 2211 weight  0.1000E+01 volume 26.71460 ppm1 10.647 ppm2 8.400
ASSI {  2221}
  (( segid "SEGA" and resid 41  and name HN  ))
  (( segid "SEGA" and resid 41  and name HA  ))
     6 6 0 peak 2221 weight  0.1000E+01 volume 213.62289 ppm1 10.647 ppm2 4.658
ASSI {  2231}
  (( segid "SEGA" and resid 41  and name HN  ))
  (( segid "SEGA" and resid 41  and name HB1  ))
     6 6 0 peak 2231 weight  0.1000E+01 volume 287.98639 ppm1 10.647 ppm2 2.844
ASSI {  2251}
  (( segid "SEGA" and resid 110  and name HN  ))
  (( segid "SEGA" and resid 109  and name HB1  ))
     6 6 0 peak 2251 weight  0.1000E+01 volume 41.37010 ppm1 7.865 ppm2 2.976
ASSI {  2271}
  (( segid "SEGA" and resid 110  and name HN  ))
  (( segid "SEGA" and resid 111  and name HN  ))
     6 6 0 peak 2271 weight  0.1000E+01 volume 39.98730 ppm1 7.865 ppm2 7.589
ASSI {  2281}
  (( segid "SEGA" and resid 110  and name HN  ))
  (( segid "SEGA" and resid 110  and name HA  ))
     6 6 0 peak 2281 weight  0.1000E+01 volume 226.20230 ppm1 7.865 ppm2 4.487
ASSI {  2291}
  (( segid "SEGA" and resid 110  and name HN  ))
  (( segid "SEGA" and resid 107  and name HA  ))
     6 6 0 peak 2291 weight  0.1000E+01 volume 374.39981 ppm1 7.865 ppm2 4.658
ASSI {  2301}
  (( segid "SEGA" and resid 110  and name HN  ))
  (( segid "SEGA" and resid 109  and name HA  ))
     6 6 0 peak 2301 weight  0.1000E+01 volume 187.44141 ppm1 7.865 ppm2 4.297
ASSI {  2311}
  (( segid "SEGA" and resid 110  and name HN  ))
  (( segid "SEGA" and resid 110  and name HB1  ))
     6 6 0 peak 2311 weight  0.1000E+01 volume 143.12350 ppm1 7.865 ppm2 3.341
ASSI {  2321}
  (( segid "SEGA" and resid 110  and name HN  ))
  (( segid "SEGA" and resid 110  and name HB2  ))
     6 6 0 peak 2321 weight  0.1000E+01 volume 170.75211 ppm1 7.865 ppm2 3.196
ASSI {  2331}
  (( segid "SEGA" and resid 110  and name HN  ))
  (( segid "SEGA" and resid 109  and name HB2  ))
     6 6 0 peak 2331 weight  0.1000E+01 volume 64.22880 ppm1 7.865 ppm2 2.729
ASSI {  2341}
  (( segid "SEGA" and resid 110  and name HN  ))
  (( segid "SEGA" and resid 110  and name HD1  ))
     6 6 0 peak 2341 weight  0.1000E+01 volume 20.92890 ppm1 7.865 ppm2 7.227
ASSI {  2371}
  (( segid "SEGA" and resid 3  and name HN  ))
  (( segid "SEGA" and resid 3  and name HA  ))
     6 6 0 peak 2371 weight  0.1000E+01 volume 103.88060 ppm1 9.411 ppm2 5.112
ASSI {  2391}
  (( segid "SEGA" and resid 62  and name HN  ))
  (( segid "SEGA" and resid 61  and name HA  ))
     6 6 0 peak 2391 weight  0.1000E+01 volume 285.08710 ppm1 8.623 ppm2 4.683
ASSI {  2411}
  (( segid "SEGA" and resid 62  and name HN  ))
  (( segid "SEGA" and resid 62  and name HB1  ))
     6 6 0 peak 2411 weight  0.1000E+01 volume 119.40890 ppm1 8.623 ppm2 1.757
ASSI {  2421}
  (( segid "SEGA" and resid 62  and name HN  ))
  (( segid "SEGA" and resid 62  and name HD1#  ))
     6 6 0 peak 2421 weight  0.1000E+01 volume 120.96070 ppm1 8.623 ppm2 0.688
ASSI {  2431}
  (( segid "SEGA" and resid 52  and name HN  ))
  (( segid "SEGA" and resid 52  and name HD1  ))
     6 6 0 peak 2431 weight  0.1000E+01 volume 90.85650 ppm1 8.516 ppm2 7.202
ASSI {  2441}
  (( segid "SEGA" and resid 52  and name HN  ))
  (( segid "SEGA" and resid 51  and name HA  ))
     6 6 0 peak 2441 weight  0.1000E+01 volume 315.65411 ppm1 8.516 ppm2 4.091
ASSI {  2451}
  (( segid "SEGA" and resid 107  and name HN  ))
  (( segid "SEGA" and resid 106  and name HA1  ))
     6 6 0 peak 2451 weight  0.1000E+01 volume 163.98540 ppm1 8.405 ppm2 4.140
ASSI {  2461}
  (( segid "SEGA" and resid 13  and name HN  ))
  (( segid "SEGA" and resid 14  and name HN  ))
     6 6 0 peak 2461 weight  0.1000E+01 volume 93.07160 ppm1 8.997 ppm2 7.500
ASSI {  2471}
  (( segid "SEGA" and resid 13  and name HN  ))
  (( segid "SEGA" and resid 13  and name HA  ))
     6 6 0 peak 2471 weight  0.1000E+01 volume 89.27680 ppm1 8.997 ppm2 4.277
ASSI {  2481}
  (( segid "SEGA" and resid 13  and name HN  ))
  (( segid "SEGA" and resid 13  and name HB1  ))
     6 6 0 peak 2481 weight  0.1000E+01 volume 44.32340 ppm1 8.997 ppm2 1.935
ASSI {  2491}
  (( segid "SEGA" and resid 13  and name HN  ))
  (( segid "SEGA" and resid 12  and name HA  ))
     6 6 0 peak 2491 weight  0.1000E+01 volume 35.70470 ppm1 8.997 ppm2 4.638
ASSI {  2501}
  (( segid "SEGA" and resid 78  and name HN  ))
  (( segid "SEGA" and resid 77  and name HA  ))
     6 6 0 peak 2501 weight  0.1000E+01 volume 242.76350 ppm1 8.334 ppm2 5.178
ASSI {  2531}
  (( segid "SEGA" and resid 102  and name HN  ))
  (( segid "SEGA" and resid 101  and name HN  ))
     6 6 0 peak 2531 weight  0.1000E+01 volume 38.01180 ppm1 9.501 ppm2 9.270
ASSI {  2541}
  (( segid "SEGA" and resid 102  and name HN  ))
  (( segid "SEGA" and resid 102  and name HG2#  ))
     6 6 0 peak 2541 weight  0.1000E+01 volume 167.33501 ppm1 9.501 ppm2 0.837
ASSI {  2561}
  (( segid "SEGA" and resid 102  and name HN  ))
  (( segid "SEGA" and resid 101  and name HA  ))
     6 6 0 peak 2561 weight  0.1000E+01 volume 204.02521 ppm1 9.501 ppm2 4.706
ASSI {  2571}
  (( segid "SEGA" and resid 102  and name HN  ))
  (( segid "SEGA" and resid 101  and name HB  ))
     6 6 0 peak 2571 weight  0.1000E+01 volume 32.16520 ppm1 9.501 ppm2 1.763
ASSI {  2581}
  (( segid "SEGA" and resid 102  and name HN  ))
  (( segid "SEGA" and resid 101  and name HG2#  ))
     6 6 0 peak 2581 weight  0.1000E+01 volume 201.34641 ppm1 9.501 ppm2 0.621
ASSI {  2591}
  (( segid "SEGA" and resid 73  and name HN  ))
  (( segid "SEGA" and resid 72  and name HA  ))
     6 6 0 peak 2591 weight  0.1000E+01 volume 112.29610 ppm1 8.334 ppm2 4.433
ASSI {  2601}
  (( segid "SEGA" and resid 73  and name HN  ))
  (( segid "SEGA" and resid 73  and name HB1  ))
     6 6 0 peak 2601 weight  0.1000E+01 volume 149.00250 ppm1 8.334 ppm2 2.684
ASSI {  2611}
  (( segid "SEGA" and resid 73  and name HN  ))
  (( segid "SEGA" and resid 73  and name HB2  ))
     6 6 0 peak 2611 weight  0.1000E+01 volume 175.83150 ppm1 8.334 ppm2 2.365
ASSI {  2631}
  (( segid "SEGA" and resid 108  and name HN  ))
  (( segid "SEGA" and resid 108  and name HB1  ))
     6 6 0 peak 2631 weight  0.1000E+01 volume 523.21777 ppm1 8.424 ppm2 2.688
ASSI {  2641}
  (( segid "SEGA" and resid 108  and name HN  ))
  (( segid "SEGA" and resid 109  and name HN  ))
     6 6 0 peak 2641 weight  0.1000E+01 volume 93.12810 ppm1 8.424 ppm2 7.948
ASSI {  2671}
  (( segid "SEGA" and resid 42  and name HN  ))
  (( segid "SEGA" and resid 42  and name HB1  ))
     6 6 0 peak 2671 weight  0.1000E+01 volume 222.25790 ppm1 8.392 ppm2 2.448
ASSI {  2711}
  (( segid "SEGA" and resid 97  and name HN  ))
  (( segid "SEGA" and resid 97  and name HA  ))
     6 6 0 peak 2711 weight  0.1000E+01 volume 96.61870 ppm1 8.023 ppm2 3.207
ASSI {  2721}
  (( segid "SEGA" and resid 97  and name HN  ))
  (( segid "SEGA" and resid 97  and name HB  ))
     6 6 0 peak 2721 weight  0.1000E+01 volume 1098.92346 ppm1 8.023 ppm2 1.549
ASSI {  2731}
  (( segid "SEGA" and resid 97  and name HN  ))
  (( segid "SEGA" and resid 97  and name HG12  ))
     6 6 0 peak 2731 weight  0.1000E+01 volume 158.72270 ppm1 8.023 ppm2 0.597
ASSI {  2741}
  (( segid "SEGA" and resid 97  and name HN  ))
  (( segid "SEGA" and resid 23  and name HA  ))
     6 6 0 peak 2741 weight  0.1000E+01 volume 72.23970 ppm1 8.023 ppm2 4.885
ASSI {  2751}
  (( segid "SEGA" and resid 97  and name HN  ))
  (( segid "SEGA" and resid 23  and name HB1  ))
     6 6 0 peak 2751 weight  0.1000E+01 volume 42.40360 ppm1 8.023 ppm2 4.022
ASSI {  2761}
  (( segid "SEGA" and resid 97  and name HN  ))
  (( segid "SEGA" and resid 97  and name HD1#  ))
     6 6 0 peak 2761 weight  0.1000E+01 volume 145.39560 ppm1 8.023 ppm2 0.964
ASSI {  2801}
  (( segid "SEGA" and resid 31  and name HN  ))
  (( segid "SEGA" and resid 31  and name HA  ))
     6 6 0 peak 2801 weight  0.1000E+01 volume 91.33910 ppm1 7.001 ppm2 5.045
ASSI {  2811}
  (( segid "SEGA" and resid 5  and name HN  ))
  (( segid "SEGA" and resid 4  and name HA  ))
     6 6 0 peak 2811 weight  0.1000E+01 volume 31.83750 ppm1 9.029 ppm2 4.646
ASSI {  2831}
  (( segid "SEGA" and resid 5  and name HN  ))
  (( segid "SEGA" and resid 6  and name HN  ))
     6 6 0 peak 2831 weight  0.1000E+01 volume 100.48110 ppm1 9.029 ppm2 8.655
ASSI {  2841}
  (( segid "SEGA" and resid 5  and name HN  ))
  (( segid "SEGA" and resid 5  and name HA  ))
     6 6 0 peak 2841 weight  0.1000E+01 volume 34.40260 ppm1 9.029 ppm2 4.366
ASSI {  2851}
  (( segid "SEGA" and resid 5  and name HN  ))
  (( segid "SEGA" and resid 5  and name HB1  ))
     6 6 0 peak 2851 weight  0.1000E+01 volume 62.91210 ppm1 9.029 ppm2 2.299
ASSI {  2881}
  (( segid "SEGA" and resid 57  and name HN  ))
  (( segid "SEGA" and resid 54  and name HN  ))
     6 6 0 peak 2881 weight  0.1000E+01 volume 55.78090 ppm1 7.826 ppm2 8.690
ASSI {  2891}
  (( segid "SEGA" and resid 57  and name HN  ))
  (( segid "SEGA" and resid 56  and name HN  ))
     6 6 0 peak 2891 weight  0.1000E+01 volume 152.92880 ppm1 7.826 ppm2 8.383
ASSI {  2901}
  (( segid "SEGA" and resid 57  and name HN  ))
  (( segid "SEGA" and resid 57  and name HA  ))
     6 6 0 peak 2901 weight  0.1000E+01 volume 145.05580 ppm1 7.826 ppm2 4.977
ASSI {  2911}
  (( segid "SEGA" and resid 57  and name HN  ))
  (( segid "SEGA" and resid 57  and name HG1  ))
     6 6 0 peak 2911 weight  0.1000E+01 volume 150.74921 ppm1 7.826 ppm2 2.704
ASSI {  2921}
  (( segid "SEGA" and resid 57  and name HN  ))
  (( segid "SEGA" and resid 57  and name HG2  ))
     6 6 0 peak 2921 weight  0.1000E+01 volume 243.02840 ppm1 7.826 ppm2 2.479
ASSI {  2931}
  (( segid "SEGA" and resid 57  and name HN  ))
  (( segid "SEGA" and resid 57  and name HB1  ))
     6 6 0 peak 2931 weight  0.1000E+01 volume 378.84610 ppm1 7.826 ppm2 2.029
ASSI {  2941}
  (( segid "SEGA" and resid 57  and name HN  ))
  (( segid "SEGA" and resid 57  and name HB2  ))
     6 6 0 peak 2941 weight  0.1000E+01 volume 245.41010 ppm1 7.826 ppm2 1.760
ASSI {  2951}
  (( segid "SEGA" and resid 27  and name HN  ))
  (( segid "SEGA" and resid 28  and name HN  ))
     6 6 0 peak 2951 weight  0.1000E+01 volume 274.23969 ppm1 7.923 ppm2 7.678
ASSI {  2971}
  (( segid "SEGA" and resid 67  and name HN  ))
  (( segid "SEGA" and resid 66  and name HA  ))
     6 6 0 peak 2971 weight  0.1000E+01 volume 180.73579 ppm1 7.923 ppm2 4.663
ASSI {  2981}
  (( segid "SEGA" and resid 67  and name HN  ))
  (( segid "SEGA" and resid 67  and name HA  ))
     6 6 0 peak 2981 weight  0.1000E+01 volume 198.71820 ppm1 7.923 ppm2 3.818
ASSI {  3031}
  (( segid "SEGA" and resid 51  and name HN  ))
  (( segid "SEGA" and resid 51  and name HB1  ))
     6 6 0 peak 3031 weight  0.1000E+01 volume 115.49610 ppm1 6.767 ppm2 1.370
ASSI {  3041}
  (( segid "SEGA" and resid 51  and name HN  ))
  (( segid "SEGA" and resid 50  and name HN  ))
     6 6 0 peak 3041 weight  0.1000E+01 volume 238.48061 ppm1 6.767 ppm2 8.133
ASSI {  3051}
  (( segid "SEGA" and resid 51  and name HN  ))
  (( segid "SEGA" and resid 51  and name HA  ))
     6 6 0 peak 3051 weight  0.1000E+01 volume 24.19390 ppm1 6.767 ppm2 4.091
ASSI {  3071}
  (( segid "SEGA" and resid 51  and name HN  ))
  (( segid "SEGA" and resid 51  and name HG  ))
     6 6 0 peak 3071 weight  0.1000E+01 volume 86.08330 ppm1 6.767 ppm2 0.052
ASSI {  3081}
  (( segid "SEGA" and resid 51  and name HN  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 3081 weight  0.1000E+01 volume 69.35370 ppm1 6.767 ppm2 -0.426
ASSI {  3091}
  (( segid "SEGA" and resid 67  and name HN  ))
  (( segid "SEGA" and resid 67  and name HB  ))
     6 6 0 peak 3091 weight  0.1000E+01 volume 253.98489 ppm1 7.923 ppm2 1.530
ASSI {  3101}
  (( segid "SEGA" and resid 67  and name HN  ))
  (( segid "SEGA" and resid 67  and name HG2#  ))
     6 6 0 peak 3101 weight  0.1000E+01 volume 202.89050 ppm1 7.923 ppm2 0.709
ASSI {  3111}
  (( segid "SEGA" and resid 67  and name HN  ))
  (( segid "SEGA" and resid 67  and name HD1#  ))
     6 6 0 peak 3111 weight  0.1000E+01 volume 153.02870 ppm1 7.923 ppm2 0.868
ASSI {  3121}
  (( segid "SEGA" and resid 22  and name HN  ))
  (( segid "SEGA" and resid 21  and name HN  ))
     6 6 0 peak 3121 weight  0.1000E+01 volume 302.60770 ppm1 7.687 ppm2 9.654
ASSI {  3161}
  (( segid "SEGA" and resid 22  and name HN  ))
  (( segid "SEGA" and resid 22  and name HB2  ))
     6 6 0 peak 3161 weight  0.1000E+01 volume 304.40189 ppm1 7.687 ppm2 1.701
ASSI {  3201}
  (( segid "SEGA" and resid 53  and name HN  ))
  (( segid "SEGA" and resid 53  and name HB1  ))
     6 6 0 peak 3201 weight  0.1000E+01 volume 80.41000 ppm1 8.756 ppm2 3.774
ASSI {  3241}
  (( segid "SEGA" and resid 7  and name HN  ))
  (( segid "SEGA" and resid 6  and name HA  ))
     6 6 0 peak 3241 weight  0.1000E+01 volume 306.55759 ppm1 9.064 ppm2 5.633
ASSI {  3251}
  (( segid "SEGA" and resid 7  and name HN  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 3251 weight  0.1000E+01 volume 348.50851 ppm1 9.064 ppm2 0.935
ASSI {  3261}
  (( segid "SEGA" and resid 53  and name HN  ))
  (( segid "SEGA" and resid 53  and name HB2  ))
     6 6 0 peak 3261 weight  0.1000E+01 volume 86.12310 ppm1 8.756 ppm2 3.603
ASSI {  3271}
  (( segid "SEGA" and resid 53  and name HN  ))
  (( segid "SEGA" and resid 52  and name HA  ))
     6 6 0 peak 3271 weight  0.1000E+01 volume 296.22720 ppm1 8.756 ppm2 4.870
ASSI {  3281}
  (( segid "SEGA" and resid 77  and name HN  ))
  (( segid "SEGA" and resid 76  and name HA  ))
     6 6 0 peak 3281 weight  0.1000E+01 volume 209.09480 ppm1 9.224 ppm2 5.012
ASSI {  3291}
  (( segid "SEGA" and resid 77  and name HN  ))
  (( segid "SEGA" and resid 76  and name HB#  ))
     6 6 0 peak 3291 weight  0.1000E+01 volume 196.44299 ppm1 9.224 ppm2 0.960
ASSI {  3301}
  (( segid "SEGA" and resid 77  and name HN  ))
  (( segid "SEGA" and resid 90  and name HN  ))
     6 6 0 peak 3301 weight  0.1000E+01 volume 83.19310 ppm1 9.224 ppm2 8.698
ASSI {  3311}
  (( segid "SEGA" and resid 77  and name HN  ))
  (( segid "SEGA" and resid 77  and name HA  ))
     6 6 0 peak 3311 weight  0.1000E+01 volume 138.32600 ppm1 9.224 ppm2 5.161
ASSI {  3321}
  (( segid "SEGA" and resid 4  and name HN  ))
  (( segid "SEGA" and resid 3  and name HA  ))
     6 6 0 peak 3321 weight  0.1000E+01 volume 50.89590 ppm1 9.169 ppm2 5.112
ASSI {  3341}
  (( segid "SEGA" and resid 4  and name HN  ))
  (( segid "SEGA" and resid 4  and name HB2  ))
     6 6 0 peak 3341 weight  0.1000E+01 volume 111.19900 ppm1 9.168 ppm2 2.942
ASSI {  3351}
  (( segid "SEGA" and resid 77  and name HN  ))
  (( segid "SEGA" and resid 77  and name HB1  ))
     6 6 0 peak 3351 weight  0.1000E+01 volume 54.59980 ppm1 9.224 ppm2 1.754
ASSI {  3361}
  (( segid "SEGA" and resid 49  and name HN  ))
  (( segid "SEGA" and resid 48  and name HN  ))
     6 6 0 peak 3361 weight  0.1000E+01 volume 93.64970 ppm1 8.567 ppm2 7.409
ASSI {  3371}
  (( segid "SEGA" and resid 50  and name HN  ))
  (( segid "SEGA" and resid 49  and name HN  ))
     6 6 0 peak 3371 weight  0.1000E+01 volume 113.00760 ppm1 8.135 ppm2 8.565
ASSI {  3381}
  (( segid "SEGA" and resid 50  and name HN  ))
  (( segid "SEGA" and resid 50  and name HB1  ))
     6 6 0 peak 3381 weight  0.1000E+01 volume 110.22270 ppm1 8.135 ppm2 3.117
ASSI {  3391}
  (( segid "SEGA" and resid 35  and name HN  ))
  (( segid "SEGA" and resid 35  and name HA  ))
     6 6 0 peak 3391 weight  0.1000E+01 volume 61.13480 ppm1 7.639 ppm2 5.341
ASSI {  3401}
  (( segid "SEGA" and resid 35  and name HN  ))
  (( segid "SEGA" and resid 35  and name HB1  ))
     6 6 0 peak 3401 weight  0.1000E+01 volume 79.43400 ppm1 7.639 ppm2 3.187
ASSI {  3411}
  (( segid "SEGA" and resid 35  and name HN  ))
  (( segid "SEGA" and resid 34  and name HA  ))
     6 6 0 peak 3411 weight  0.1000E+01 volume 384.72549 ppm1 7.639 ppm2 4.476
ASSI {  3451}
  (( segid "SEGA" and resid 49  and name HN  ))
  (( segid "SEGA" and resid 50  and name HN  ))
     6 6 0 peak 3451 weight  0.1000E+01 volume 162.04089 ppm1 8.567 ppm2 8.131
ASSI {  3471}
  (( segid "SEGA" and resid 49  and name HN  ))
  (( segid "SEGA" and resid 49  and name HA  ))
     6 6 0 peak 3471 weight  0.1000E+01 volume 229.88420 ppm1 8.567 ppm2 4.378
ASSI {  3481}
  (( segid "SEGA" and resid 49  and name HN  ))
  (( segid "SEGA" and resid 48  and name HA  ))
     6 6 0 peak 3481 weight  0.1000E+01 volume 119.61920 ppm1 8.567 ppm2 3.750
ASSI {  3491}
  (( segid "SEGA" and resid 49  and name HN  ))
  (( segid "SEGA" and resid 49  and name HB1  ))
     6 6 0 peak 3491 weight  0.1000E+01 volume 292.64069 ppm1 8.567 ppm2 2.320
ASSI {  3501}
  (( segid "SEGA" and resid 49  and name HN  ))
  (( segid "SEGA" and resid 49  and name HB2  ))
     6 6 0 peak 3501 weight  0.1000E+01 volume 381.05701 ppm1 8.567 ppm2 1.963
ASSI {  3511}
  (( segid "SEGA" and resid 70  and name HN  ))
  (( segid "SEGA" and resid 69  and name HA  ))
     6 6 0 peak 3511 weight  0.1000E+01 volume 323.22650 ppm1 8.223 ppm2 4.953
ASSI {  3541}
  (( segid "SEGA" and resid 50  and name HN  ))
  (( segid "SEGA" and resid 50  and name HD1  ))
     6 6 0 peak 3541 weight  0.1000E+01 volume 43.30270 ppm1 8.135 ppm2 7.158
ASSI {  3551}
  (( segid "SEGA" and resid 50  and name HN  ))
  (( segid "SEGA" and resid 50  and name HB2  ))
     6 6 0 peak 3551 weight  0.1000E+01 volume 121.41000 ppm1 8.136 ppm2 2.631
ASSI {  3561}
  (( segid "SEGA" and resid 50  and name HN  ))
  (( segid "SEGA" and resid 50  and name HA  ))
     6 6 0 peak 3561 weight  0.1000E+01 volume 73.97930 ppm1 8.135 ppm2 4.613
ASSI {  3571}
  (( segid "SEGA" and resid 50  and name HN  ))
  (( segid "SEGA" and resid 49  and name HA  ))
     6 6 0 peak 3571 weight  0.1000E+01 volume 40.10080 ppm1 8.135 ppm2 4.366
ASSI {  3591}
  (( segid "SEGA" and resid 50  and name HN  ))
  (( segid "SEGA" and resid 51  and name HN  ))
     6 6 0 peak 3591 weight  0.1000E+01 volume 214.62790 ppm1 8.135 ppm2 6.770
ASSI {  3611}
  (( segid "SEGA" and resid 92  and name HN  ))
  (( segid "SEGA" and resid 76  and name HA  ))
     6 6 0 peak 3611 weight  0.1000E+01 volume 42.84140 ppm1 9.010 ppm2 5.041
ASSI {  3621}
  (( segid "SEGA" and resid 98  and name HN  ))
  (( segid "SEGA" and resid 98  and name HA2  ))
     6 6 0 peak 3621 weight  0.1000E+01 volume 284.05609 ppm1 8.835 ppm2 3.775
ASSI {  3631}
  (( segid "SEGA" and resid 98  and name HN  ))
  (( segid "SEGA" and resid 97  and name HA  ))
     6 6 0 peak 3631 weight  0.1000E+01 volume 214.12450 ppm1 8.835 ppm2 3.206
ASSI {  3641}
  (( segid "SEGA" and resid 98  and name HN  ))
  (( segid "SEGA" and resid 97  and name HB  ))
     6 6 0 peak 3641 weight  0.1000E+01 volume 50.18080 ppm1 8.835 ppm2 1.575
ASSI {  3651}
  (( segid "SEGA" and resid 98  and name HN  ))
  (( segid "SEGA" and resid 97  and name HG2#  ))
     6 6 0 peak 3651 weight  0.1000E+01 volume 291.97049 ppm1 8.835 ppm2 0.867
ASSI {  3661}
  (( segid "SEGA" and resid 86  and name HN  ))
  (( segid "SEGA" and resid 81  and name HN  ))
     6 6 0 peak 3661 weight  0.1000E+01 volume 103.31380 ppm1 7.687 ppm2 8.428
ASSI {  3671}
  (( segid "SEGA" and resid 86  and name HN  ))
  (( segid "SEGA" and resid 85  and name HN  ))
     6 6 0 peak 3671 weight  0.1000E+01 volume 135.69530 ppm1 7.687 ppm2 6.477
ASSI {  3681}
  (( segid "SEGA" and resid 86  and name HN  ))
  (( segid "SEGA" and resid 86  and name HA  ))
     6 6 0 peak 3681 weight  0.1000E+01 volume 76.51050 ppm1 7.687 ppm2 5.202
ASSI {  3701}
  (( segid "SEGA" and resid 86  and name HN  ))
  (( segid "SEGA" and resid 85  and name HA  ))
     6 6 0 peak 3701 weight  0.1000E+01 volume 55.60600 ppm1 7.687 ppm2 3.818
ASSI {  3731}
  (( segid "SEGA" and resid 112  and name HN  ))
  (( segid "SEGA" and resid 112  and name HA  ))
     6 6 0 peak 3731 weight  0.1000E+01 volume 40.03990 ppm1 7.904 ppm2 4.412
ASSI {  3741}
  (( segid "SEGA" and resid 112  and name HN  ))
  (( segid "SEGA" and resid 111  and name HA  ))
     6 6 0 peak 3741 weight  0.1000E+01 volume 64.29310 ppm1 7.904 ppm2 4.206
ASSI {  3751}
  (( segid "SEGA" and resid 112  and name HN  ))
  (( segid "SEGA" and resid 112  and name HB1  ))
     6 6 0 peak 3751 weight  0.1000E+01 volume 89.04020 ppm1 7.904 ppm2 3.841
ASSI {  3761}
  (( segid "SEGA" and resid 112  and name HN  ))
  (( segid "SEGA" and resid 111  and name HB1  ))
     6 6 0 peak 3761 weight  0.1000E+01 volume 18.14360 ppm1 7.904 ppm2 1.549
ASSI {  3771}
  (( segid "SEGA" and resid 68  and name HN  ))
  (( segid "SEGA" and resid 68  and name HA  ))
     6 6 0 peak 3771 weight  0.1000E+01 volume 19.87270 ppm1 6.531 ppm2 4.088
ASSI {  3781}
  (( segid "SEGA" and resid 68  and name HN  ))
  (( segid "SEGA" and resid 68  and name HB1  ))
     6 6 0 peak 3781 weight  0.1000E+01 volume 97.20330 ppm1 6.531 ppm2 2.863
ASSI {  3791}
  (( segid "SEGA" and resid 68  and name HN  ))
  (( segid "SEGA" and resid 67  and name HB  ))
     6 6 0 peak 3791 weight  0.1000E+01 volume 112.58890 ppm1 6.531 ppm2 1.530
ASSI {  3801}
  (( segid "SEGA" and resid 68  and name HN  ))
  (( segid "SEGA" and resid 68  and name HB2  ))
     6 6 0 peak 3801 weight  0.1000E+01 volume 121.06020 ppm1 6.531 ppm2 2.684
ASSI {  3821}
  (( segid "SEGA" and resid 68  and name HN  ))
  (( segid "SEGA" and resid 67  and name HN  ))
     6 6 0 peak 3821 weight  0.1000E+01 volume 177.15710 ppm1 6.531 ppm2 7.949
ASSI {  3831}
  (( segid "SEGA" and resid 68  and name HN  ))
  (( segid "SEGA" and resid 68  and name HD1  ))
     6 6 0 peak 3831 weight  0.1000E+01 volume 250.20520 ppm1 6.531 ppm2 7.498
ASSI {  3841}
  (( segid "SEGA" and resid 68  and name HN  ))
  (( segid "SEGA" and resid 67  and name HD1#  ))
     6 6 0 peak 3841 weight  0.1000E+01 volume 43.48620 ppm1 6.531 ppm2 0.867
ASSI {  3861}
  (( segid "SEGA" and resid 68  and name HN  ))
  (( segid "SEGA" and resid 67  and name HA  ))
     6 6 0 peak 3861 weight  0.1000E+01 volume 47.87450 ppm1 6.531 ppm2 3.842
ASSI {  3871}
  (( segid "SEGA" and resid 58  and name HN  ))
  (( segid "SEGA" and resid 57  and name HA  ))
     6 6 0 peak 3871 weight  0.1000E+01 volume 373.11389 ppm1 8.715 ppm2 4.977
ASSI {  3881}
  (( segid "SEGA" and resid 58  and name HN  ))
  (( segid "SEGA" and resid 57  and name HB1  ))
     6 6 0 peak 3881 weight  0.1000E+01 volume 34.21760 ppm1 8.715 ppm2 2.028
ASSI {  3891}
  (( segid "SEGA" and resid 58  and name HN  ))
  (( segid "SEGA" and resid 57  and name HB2  ))
     6 6 0 peak 3891 weight  0.1000E+01 volume 54.31000 ppm1 8.715 ppm2 1.754
ASSI {  3901}
  (( segid "SEGA" and resid 58  and name HN  ))
  (( segid "SEGA" and resid 58  and name HB2  ))
     6 6 0 peak 3901 weight  0.1000E+01 volume 28.20880 ppm1 8.715 ppm2 3.242
ASSI {  3911}
  (( segid "SEGA" and resid 104  and name HN  ))
  (( segid "SEGA" and resid 101  and name HA  ))
     6 6 0 peak 3911 weight  0.1000E+01 volume 77.17140 ppm1 8.504 ppm2 4.683
ASSI {  3921}
  (( segid "SEGA" and resid 104  and name HN  ))
  (( segid "SEGA" and resid 103  and name HD1#  ))
     6 6 0 peak 3921 weight  0.1000E+01 volume 196.32140 ppm1 8.504 ppm2 0.413
ASSI {  3931}
  (( segid "SEGA" and resid 104  and name HN  ))
  (( segid "SEGA" and resid 104  and name HB2  ))
     6 6 0 peak 3931 weight  0.1000E+01 volume 196.34441 ppm1 8.504 ppm2 4.114
ASSI {  3941}
  (( segid "SEGA" and resid 104  and name HN  ))
  (( segid "SEGA" and resid 103  and name HB  ))
     6 6 0 peak 3941 weight  0.1000E+01 volume 204.72650 ppm1 8.504 ppm2 2.024
ASSI {  3951}
  (( segid "SEGA" and resid 104  and name HN  ))
  (( segid "SEGA" and resid 104  and name HA  ))
     6 6 0 peak 3951 weight  0.1000E+01 volume 191.11169 ppm1 8.504 ppm2 4.930
ASSI {  3961}
  (( segid "SEGA" and resid 117  and name HN  ))
  (( segid "SEGA" and resid 117  and name HA  ))
     6 6 0 peak 3961 weight  0.1000E+01 volume 170.40340 ppm1 8.021 ppm2 4.435
ASSI {  3981}
  (( segid "SEGA" and resid 45  and name HN  ))
  (( segid "SEGA" and resid 44  and name HN  ))
     6 6 0 peak 3981 weight  0.1000E+01 volume 27.63940 ppm1 8.240 ppm2 9.861
ASSI {  3991}
  (( segid "SEGA" and resid 45  and name HN  ))
  (( segid "SEGA" and resid 42  and name HA  ))
     6 6 0 peak 3991 weight  0.1000E+01 volume 316.95441 ppm1 8.240 ppm2 4.640
ASSI {  4001}
  (( segid "SEGA" and resid 45  and name HN  ))
  (( segid "SEGA" and resid 45  and name HA  ))
     6 6 0 peak 4001 weight  0.1000E+01 volume 232.41490 ppm1 8.240 ppm2 4.298
ASSI {  4011}
  (( segid "SEGA" and resid 45  and name HN  ))
  (( segid "SEGA" and resid 44  and name HA1  ))
     6 6 0 peak 4011 weight  0.1000E+01 volume 230.71600 ppm1 8.240 ppm2 4.065
ASSI {  4021}
  (( segid "SEGA" and resid 45  and name HN  ))
  (( segid "SEGA" and resid 46  and name HN  ))
     6 6 0 peak 4021 weight  0.1000E+01 volume 240.81480 ppm1 8.240 ppm2 8.011
ASSI {  4041}
  (( segid "SEGA" and resid 45  and name HN  ))
  (( segid "SEGA" and resid 45  and name HG2#  ))
     6 6 0 peak 4041 weight  0.1000E+01 volume 297.93860 ppm1 8.240 ppm2 1.253
ASSI {  4051}
  (( segid "SEGA" and resid 81  and name HN  ))
  (( segid "SEGA" and resid 80  and name HA  ))
     6 6 0 peak 4051 weight  0.1000E+01 volume 437.21149 ppm1 8.427 ppm2 5.308
ASSI {  4061}
  (( segid "SEGA" and resid 81  and name HN  ))
  (( segid "SEGA" and resid 81  and name HB  ))
     6 6 0 peak 4061 weight  0.1000E+01 volume 98.88960 ppm1 8.427 ppm2 4.660
ASSI {  4071}
  (( segid "SEGA" and resid 81  and name HN  ))
  (( segid "SEGA" and resid 81  and name HA  ))
     6 6 0 peak 4071 weight  0.1000E+01 volume 31.62400 ppm1 8.427 ppm2 4.366
ASSI {  4081}
  (( segid "SEGA" and resid 81  and name HN  ))
  (( segid "SEGA" and resid 81  and name HG2#  ))
     6 6 0 peak 4081 weight  0.1000E+01 volume 344.75659 ppm1 8.427 ppm2 1.204
ASSI {  4091}
  (( segid "SEGA" and resid 47  and name HN  ))
  (( segid "SEGA" and resid 48  and name HN  ))
     6 6 0 peak 4091 weight  0.1000E+01 volume 119.28650 ppm1 8.907 ppm2 7.408
ASSI {  4101}
  (( segid "SEGA" and resid 47  and name HN  ))
  (( segid "SEGA" and resid 47  and name HG  ))
     6 6 0 peak 4101 weight  0.1000E+01 volume 39.34490 ppm1 8.907 ppm2 1.707
ASSI {  4111}
  (( segid "SEGA" and resid 47  and name HN  ))
  (( segid "SEGA" and resid 47  and name HD2#  ))
     6 6 0 peak 4111 weight  0.1000E+01 volume 33.52520 ppm1 8.907 ppm2 0.844
ASSI {  4121}
  (( segid "SEGA" and resid 47  and name HN  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 4121 weight  0.1000E+01 volume 119.23290 ppm1 8.907 ppm2 0.005
ASSI {  4131}
  (( segid "SEGA" and resid 47  and name HN  ))
  (( segid "SEGA" and resid 47  and name HB1  ))
     6 6 0 peak 4131 weight  0.1000E+01 volume 119.65040 ppm1 8.907 ppm2 1.956
ASSI {  4141}
  (( segid "SEGA" and resid 81  and name HN  ))
  (( segid "SEGA" and resid 80  and name HG  ))
     6 6 0 peak 4141 weight  0.1000E+01 volume 31.90300 ppm1 8.427 ppm2 0.552
ASSI {  4151}
  (( segid "SEGA" and resid 47  and name HN  ))
  (( segid "SEGA" and resid 47  and name HA  ))
     6 6 0 peak 4151 weight  0.1000E+01 volume 37.93990 ppm1 8.907 ppm2 4.769
ASSI {  4161}
  (( segid "SEGA" and resid 6  and name HN  ))
  (( segid "SEGA" and resid 5  and name HN  ))
     6 6 0 peak 4161 weight  0.1000E+01 volume 212.55710 ppm1 8.630 ppm2 9.031
ASSI {  4171}
  (( segid "SEGA" and resid 6  and name HN  ))
  (( segid "SEGA" and resid 6  and name HG1#  ))
     6 6 0 peak 4171 weight  0.1000E+01 volume 83.01800 ppm1 8.630 ppm2 0.845
ASSI {  4181}
  (( segid "SEGA" and resid 6  and name HN  ))
  (( segid "SEGA" and resid 6  and name HG2#  ))
     6 6 0 peak 4181 weight  0.1000E+01 volume 196.70320 ppm1 8.630 ppm2 0.481
ASSI {  4191}
  (( segid "SEGA" and resid 6  and name HN  ))
  (( segid "SEGA" and resid 3  and name HN  ))
     6 6 0 peak 4191 weight  0.1000E+01 volume 26.82060 ppm1 8.630 ppm2 9.425
ASSI {  4201}
  (( segid "SEGA" and resid 6  and name HN  ))
  (( segid "SEGA" and resid 5  and name HB1  ))
     6 6 0 peak 4201 weight  0.1000E+01 volume 56.87410 ppm1 8.630 ppm2 2.251
ASSI {  4211}
  (( segid "SEGA" and resid 75  and name HN  ))
  (( segid "SEGA" and resid 73  and name HA  ))
     6 6 0 peak 4211 weight  0.1000E+01 volume 23.51430 ppm1 7.695 ppm2 5.045
ASSI {  4221}
  (( segid "SEGA" and resid 75  and name HN  ))
  (( segid "SEGA" and resid 76  and name HN  ))
     6 6 0 peak 4221 weight  0.1000E+01 volume 290.00879 ppm1 7.695 ppm2 8.610
ASSI {  4241}
  (( segid "SEGA" and resid 75  and name HN  ))
  (( segid "SEGA" and resid 75  and name HA  ))
     6 6 0 peak 4241 weight  0.1000E+01 volume 373.32690 ppm1 7.695 ppm2 4.592
ASSI {  4261}
  (( segid "SEGA" and resid 15  and name HN  ))
  (( segid "SEGA" and resid 15  and name HA2  ))
     6 6 0 peak 4261 weight  0.1000E+01 volume 128.84979 ppm1 8.362 ppm2 3.819
ASSI {  4271}
  (( segid "SEGA" and resid 91  and name HN  ))
  (( segid "SEGA" and resid 28  and name HN  ))
     6 6 0 peak 4271 weight  0.1000E+01 volume 29.45890 ppm1 9.151 ppm2 7.656
ASSI {  4281}
  (( segid "SEGA" and resid 91  and name HN  ))
  (( segid "SEGA" and resid 90  and name HA  ))
     6 6 0 peak 4281 weight  0.1000E+01 volume 315.02530 ppm1 9.151 ppm2 5.550
ASSI {  4291}
  (( segid "SEGA" and resid 91  and name HN  ))
  (( segid "SEGA" and resid 90  and name HB1  ))
     6 6 0 peak 4291 weight  0.1000E+01 volume 102.41790 ppm1 9.151 ppm2 2.843
ASSI {  4301}
  (( segid "SEGA" and resid 91  and name HN  ))
  (( segid "SEGA" and resid 90  and name HB2  ))
     6 6 0 peak 4301 weight  0.1000E+01 volume 57.37120 ppm1 9.151 ppm2 2.458
ASSI {  4321}
  (( segid "SEGA" and resid 91  and name HN  ))
  (( segid "SEGA" and resid 91  and name HG2#  ))
     6 6 0 peak 4321 weight  0.1000E+01 volume 119.88780 ppm1 9.151 ppm2 1.072
ASSI {  4341}
  (( segid "SEGA" and resid 91  and name HN  ))
  (( segid "SEGA" and resid 91  and name HA  ))
     6 6 0 peak 4341 weight  0.1000E+01 volume 182.69949 ppm1 9.151 ppm2 4.569
ASSI {  4351}
  (( segid "SEGA" and resid 23  and name HN  ))
  (( segid "SEGA" and resid 23  and name HA  ))
     6 6 0 peak 4351 weight  0.1000E+01 volume 304.11859 ppm1 8.117 ppm2 4.885
ASSI {  4361}
  (( segid "SEGA" and resid 23  and name HN  ))
  (( segid "SEGA" and resid 22  and name HA  ))
     6 6 0 peak 4361 weight  0.1000E+01 volume 529.72290 ppm1 8.117 ppm2 4.564
ASSI {  4371}
  (( segid "SEGA" and resid 23  and name HN  ))
  (( segid "SEGA" and resid 23  and name HB1  ))
     6 6 0 peak 4371 weight  0.1000E+01 volume 171.17220 ppm1 8.117 ppm2 4.022
ASSI {  4411}
  (( segid "SEGA" and resid 85  and name HN  ))
  (( segid "SEGA" and resid 86  and name HN  ))
     6 6 0 peak 4411 weight  0.1000E+01 volume 26.49740 ppm1 6.466 ppm2 7.702
ASSI {  4431}
  (( segid "SEGA" and resid 85  and name HN  ))
  (( segid "SEGA" and resid 85  and name HA  ))
     6 6 0 peak 4431 weight  0.1000E+01 volume 158.13130 ppm1 6.466 ppm2 3.819
ASSI {  4441}
  (( segid "SEGA" and resid 85  and name HN  ))
  (( segid "SEGA" and resid 85  and name HB1  ))
     6 6 0 peak 4441 weight  0.1000E+01 volume 72.68000 ppm1 6.466 ppm2 1.980
ASSI {  4451}
  (( segid "SEGA" and resid 85  and name HN  ))
  (( segid "SEGA" and resid 85  and name HG1  ))
     6 6 0 peak 4451 weight  0.1000E+01 volume 230.63319 ppm1 6.466 ppm2 1.480
ASSI {  4471}
  (( segid "SEGA" and resid 103  and name HN  ))
  (( segid "SEGA" and resid 102  and name HG2#  ))
     6 6 0 peak 4471 weight  0.1000E+01 volume 190.53841 ppm1 7.974 ppm2 0.847
ASSI {  4481}
  (( segid "SEGA" and resid 103  and name HN  ))
  (( segid "SEGA" and resid 103  and name HD1#  ))
     6 6 0 peak 4481 weight  0.1000E+01 volume 201.56419 ppm1 7.974 ppm2 0.418
ASSI {  4511}
  (( segid "SEGA" and resid 106  and name HN  ))
  (( segid "SEGA" and resid 105  and name HB2  ))
     6 6 0 peak 4511 weight  0.1000E+01 volume 57.74980 ppm1 8.475 ppm2 2.753
ASSI {  4521}
  (( segid "SEGA" and resid 106  and name HN  ))
  (( segid "SEGA" and resid 106  and name HA1  ))
     6 6 0 peak 4521 weight  0.1000E+01 volume 300.57309 ppm1 8.475 ppm2 4.140
ASSI {  4531}
  (( segid "SEGA" and resid 106  and name HN  ))
  (( segid "SEGA" and resid 105  and name HA  ))
     6 6 0 peak 4531 weight  0.1000E+01 volume 106.67330 ppm1 8.475 ppm2 4.432
ASSI {  4541}
  (( segid "SEGA" and resid 96  and name HN  ))
  (( segid "SEGA" and resid 97  and name HN  ))
     6 6 0 peak 4541 weight  0.1000E+01 volume 23.07000 ppm1 8.917 ppm2 8.043
ASSI {  4561}
  (( segid "SEGA" and resid 96  and name HN  ))
  (( segid "SEGA" and resid 96  and name HA  ))
     6 6 0 peak 4561 weight  0.1000E+01 volume 294.68759 ppm1 8.917 ppm2 4.615
ASSI {  4571}
  (( segid "SEGA" and resid 96  and name HN  ))
  (( segid "SEGA" and resid 95  and name HA  ))
     6 6 0 peak 4571 weight  0.1000E+01 volume 412.95010 ppm1 8.917 ppm2 4.386
ASSI {  4591}
  (( segid "SEGA" and resid 96  and name HN  ))
  (( segid "SEGA" and resid 96  and name HB#  ))
     6 6 0 peak 4591 weight  0.1000E+01 volume 129.95450 ppm1 8.917 ppm2 1.484
ASSI {  4611}
  (( segid "SEGA" and resid 14  and name HN  ))
  (( segid "SEGA" and resid 13  and name HN  ))
     6 6 0 peak 4611 weight  0.1000E+01 volume 269.02670 ppm1 7.507 ppm2 8.996
ASSI {  4621}
  (( segid "SEGA" and resid 14  and name HN  ))
  (( segid "SEGA" and resid 14  and name HA1  ))
     6 6 0 peak 4621 weight  0.1000E+01 volume 335.03491 ppm1 7.507 ppm2 4.542
ASSI {  4631}
  (( segid "SEGA" and resid 14  and name HN  ))
  (( segid "SEGA" and resid 14  and name HA2  ))
     6 6 0 peak 4631 weight  0.1000E+01 volume 313.80191 ppm1 7.507 ppm2 3.631
ASSI {  4641}
  (( segid "SEGA" and resid 14  and name HN  ))
  (( segid "SEGA" and resid 13  and name HA  ))
     6 6 0 peak 4641 weight  0.1000E+01 volume 170.04890 ppm1 7.507 ppm2 4.274
ASSI {  4661}
  (( segid "SEGA" and resid 101  and name HN  ))
  (( segid "SEGA" and resid 101  and name HB  ))
     6 6 0 peak 4661 weight  0.1000E+01 volume 183.21620 ppm1 9.278 ppm2 1.776
ASSI {  4671}
  (( segid "SEGA" and resid 101  and name HN  ))
  (( segid "SEGA" and resid 101  and name HA  ))
     6 6 0 peak 4671 weight  0.1000E+01 volume 97.34970 ppm1 9.278 ppm2 4.686
ASSI {  4681}
  (( segid "SEGA" and resid 101  and name HN  ))
  (( segid "SEGA" and resid 101  and name HG12  ))
     6 6 0 peak 4681 weight  0.1000E+01 volume 26.22280 ppm1 9.278 ppm2 0.846
ASSI {  4691}
  (( segid "SEGA" and resid 101  and name HN  ))
  (( segid "SEGA" and resid 101  and name HG2#  ))
     6 6 0 peak 4691 weight  0.1000E+01 volume 105.89820 ppm1 9.278 ppm2 0.621
ASSI {  4701}
  (( segid "SEGA" and resid 101  and name HN  ))
  (( segid "SEGA" and resid 100  and name HA  ))
     6 6 0 peak 4701 weight  0.1000E+01 volume 98.95760 ppm1 9.278 ppm2 3.549
ASSI {  4721}
  (( segid "SEGA" and resid 20  and name HN  ))
  (( segid "SEGA" and resid 19  and name HD1  ))
     6 6 0 peak 4721 weight  0.1000E+01 volume 59.74180 ppm1 8.804 ppm2 7.285
ASSI {  4731}
  (( segid "SEGA" and resid 20  and name HN  ))
  (( segid "SEGA" and resid 101  and name HG11  ))
     6 6 0 peak 4731 weight  0.1000E+01 volume 43.82210 ppm1 8.804 ppm2 1.823
ASSI {  4741}
  (( segid "SEGA" and resid 9  and name HN  ))
  (( segid "SEGA" and resid 8  and name HA  ))
     6 6 0 peak 4741 weight  0.1000E+01 volume 256.27350 ppm1 8.580 ppm2 5.045
ASSI {  4751}
  (( segid "SEGA" and resid 9  and name HN  ))
  (( segid "SEGA" and resid 8  and name HG1#  ))
     6 6 0 peak 4751 weight  0.1000E+01 volume 206.91420 ppm1 8.580 ppm2 0.912
ASSI {  4761}
  (( segid "SEGA" and resid 9  and name HN  ))
  (( segid "SEGA" and resid 8  and name HG2#  ))
     6 6 0 peak 4761 weight  0.1000E+01 volume 70.95300 ppm1 8.580 ppm2 0.431
ASSI {  4781}
  (( segid "SEGA" and resid 17  and name HN  ))
  (( segid "SEGA" and resid 16  and name HB1  ))
     6 6 0 peak 4781 weight  0.1000E+01 volume 127.58930 ppm1 9.073 ppm2 2.684
ASSI {  4791}
  (( segid "SEGA" and resid 17  and name HN  ))
  (( segid "SEGA" and resid 17  and name HA2  ))
     6 6 0 peak 4791 weight  0.1000E+01 volume 46.35400 ppm1 9.073 ppm2 3.752
ASSI {  4801}
  (( segid "SEGA" and resid 25  and name HN  ))
  (( segid "SEGA" and resid 24  and name HD1  ))
     6 6 0 peak 4801 weight  0.1000E+01 volume 24.18890 ppm1 9.192 ppm2 7.202
ASSI {  4811}
  (( segid "SEGA" and resid 30  and name HN  ))
  (( segid "SEGA" and resid 30  and name HG1#  ))
     6 6 0 peak 4811 weight  0.1000E+01 volume 35.32680 ppm1 9.248 ppm2 0.775
ASSI {  4821}
  (( segid "SEGA" and resid 31  and name HN  ))
  (( segid "SEGA" and resid 31  and name HG1  ))
     6 6 0 peak 4821 weight  0.1000E+01 volume 53.88150 ppm1 7.001 ppm2 2.351
ASSI {  4831}
  (( segid "SEGA" and resid 32  and name HN  ))
  (( segid "SEGA" and resid 32  and name HG1  ))
     6 6 0 peak 4831 weight  0.1000E+01 volume 255.08839 ppm1 7.801 ppm2 2.170
ASSI {  4851}
  (( segid "SEGA" and resid 36  and name HN  ))
  (( segid "SEGA" and resid 61  and name HB#  ))
     6 6 0 peak 4851 weight  0.1000E+01 volume 114.02800 ppm1 8.749 ppm2 1.505
ASSI {  4861}
  (( segid "SEGA" and resid 36  and name HN  ))
  (( segid "SEGA" and resid 36  and name HG11  ))
     6 6 0 peak 4861 weight  0.1000E+01 volume 79.93480 ppm1 8.749 ppm2 1.272
ASSI {  4881}
  (( segid "SEGA" and resid 37  and name HN  ))
  (( segid "SEGA" and resid 37  and name HA  ))
     6 6 0 peak 4881 weight  0.1000E+01 volume 45.80520 ppm1 8.545 ppm2 5.249
ASSI {  4901}
  (( segid "SEGA" and resid 108  and name HN  ))
  (( segid "SEGA" and resid 106  and name HA1  ))
     6 6 0 peak 4901 weight  0.1000E+01 volume 45.26010 ppm1 8.424 ppm2 4.151
ASSI {  4911}
  (( segid "SEGA" and resid 24  and name HN  ))
  (( segid "SEGA" and resid 23  and name HA  ))
     6 6 0 peak 4911 weight  0.1000E+01 volume 605.66241 ppm1 9.447 ppm2 4.885
ASSI {  4921}
  (( segid "SEGA" and resid 116  and name HN  ))
  (( segid "SEGA" and resid 116  and name HA  ))
     6 6 0 peak 4921 weight  0.1000E+01 volume 117.14290 ppm1 8.303 ppm2 4.475
ASSI {  4941}
  (( segid "SEGA" and resid 42  and name HN  ))
  (( segid "SEGA" and resid 42  and name HB2  ))
     6 6 0 peak 4941 weight  0.1000E+01 volume 24.14010 ppm1 8.392 ppm2 2.344
ASSI {  5021}
  (( segid "SEGA" and resid 68  and name HN  ))
  (( segid "SEGA" and resid 68  and name HE1  ))
     6 6 0 peak 5021 weight  0.1000E+01 volume 25.59330 ppm1 6.531 ppm2 6.817
ASSI {  5031}
  (( segid "SEGA" and resid 71  and name HN  ))
  (( segid "SEGA" and resid 71  and name HA  ))
     6 6 0 peak 5031 weight  0.1000E+01 volume 269.83749 ppm1 8.297 ppm2 4.671
ASSI {  5051}
  (( segid "SEGA" and resid 73  and name HN  ))
  (( segid "SEGA" and resid 73  and name HA  ))
     6 6 0 peak 5051 weight  0.1000E+01 volume 70.22450 ppm1 8.334 ppm2 5.051
ASSI {  5081}
  (( segid "SEGA" and resid 80  and name HN  ))
  (( segid "SEGA" and resid 79  and name HA  ))
     6 6 0 peak 5081 weight  0.1000E+01 volume 606.86060 ppm1 8.623 ppm2 4.500
ASSI {  5091}
  (( segid "SEGA" and resid 80  and name HN  ))
  (( segid "SEGA" and resid 80  and name HB2  ))
     6 6 0 peak 5091 weight  0.1000E+01 volume 201.63161 ppm1 8.623 ppm2 1.430
ASSI {  5101}
  (( segid "SEGA" and resid 84  and name HN  ))
  (( segid "SEGA" and resid 84  and name HG  ))
     6 6 0 peak 5101 weight  0.1000E+01 volume 52.44910 ppm1 8.388 ppm2 0.823
ASSI {  5111}
  (( segid "SEGA" and resid 15  and name HN  ))
  (( segid "SEGA" and resid 15  and name HA1  ))
     6 6 0 peak 5111 weight  0.1000E+01 volume 60.24690 ppm1 8.362 ppm2 4.159
ASSI {  5141}
  (( segid "SEGA" and resid 89  and name HN  ))
  (( segid "SEGA" and resid 89  and name HB  ))
     6 6 0 peak 5141 weight  0.1000E+01 volume 660.11389 ppm1 8.321 ppm2 1.279
ASSI {  5151}
  (( segid "SEGA" and resid 91  and name HN  ))
  (( segid "SEGA" and resid 29  and name HA  ))
     6 6 0 peak 5151 weight  0.1000E+01 volume 57.21770 ppm1 9.151 ppm2 4.093
ASSI {  5171}
  (( segid "SEGA" and resid 92  and name HN  ))
  (( segid "SEGA" and resid 93  and name HN  ))
     6 6 0 peak 5171 weight  0.1000E+01 volume 70.25310 ppm1 9.010 ppm2 8.110
ASSI {  5181}
  (( segid "SEGA" and resid 104  and name HN  ))
  (( segid "SEGA" and resid 104  and name HB1  ))
     6 6 0 peak 5181 weight  0.1000E+01 volume 99.55590 ppm1 8.504 ppm2 4.206
ASSI {  5191}
  (( segid "SEGA" and resid 112  and name HN  ))
  (( segid "SEGA" and resid 111  and name HB2  ))
     6 6 0 peak 5191 weight  0.1000E+01 volume 16.22040 ppm1 7.904 ppm2 1.459
ASSI {  5201}
  (( segid "SEGA" and resid 113  and name HN  ))
  (( segid "SEGA" and resid 113  and name HG1  ))
     6 6 0 peak 5201 weight  0.1000E+01 volume 122.05630 ppm1 7.768 ppm2 1.604
ASSI {  5211}
  (( segid "SEGA" and resid 117  and name HN  ))
  (( segid "SEGA" and resid 116  and name HB2  ))
     6 6 0 peak 5211 weight  0.1000E+01 volume 36.31900 ppm1 8.021 ppm2 1.687
ASSI {  5221}
  (( segid "SEGA" and resid 119  and name HN  ))
  (( segid "SEGA" and resid 111  and name HA  ))
     6 6 0 peak 5221 weight  0.1000E+01 volume 118.36980 ppm1 8.068 ppm2 4.251
ASSI {  5251}
  (( segid "SEGA" and resid 6  and name HN  ))
  (( segid "SEGA" and resid 4  and name HA  ))
     6 6 0 peak 5251 weight  0.1000E+01 volume 21.61290 ppm1 8.630 ppm2 4.641
ASSI {  5261}
  (( segid "SEGA" and resid 7  and name HN  ))
  (( segid "SEGA" and resid 7  and name HB  ))
     6 6 0 peak 5261 weight  0.1000E+01 volume 51.33960 ppm1 9.064 ppm2 1.666
ASSI {  5271}
  (( segid "SEGA" and resid 16  and name HN  ))
  (( segid "SEGA" and resid 16  and name HA  ))
     6 6 0 peak 5271 weight  0.1000E+01 volume 258.49231 ppm1 8.543 ppm2 4.819
ASSI {  5281}
  (( segid "SEGA" and resid 17  and name HN  ))
  (( segid "SEGA" and resid 17  and name HA1  ))
     6 6 0 peak 5281 weight  0.1000E+01 volume 62.45620 ppm1 9.073 ppm2 4.678
ASSI {  5291}
  (( segid "SEGA" and resid 61  and name HN  ))
  (( segid "SEGA" and resid 61  and name HA  ))
     6 6 0 peak 5291 weight  0.1000E+01 volume 141.27910 ppm1 8.931 ppm2 4.663
ASSI {  5301}
  (( segid "SEGA" and resid 61  and name HN  ))
  (( segid "SEGA" and resid 61  and name HB#  ))
     6 6 0 peak 5301 weight  0.1000E+01 volume 558.94751 ppm1 8.931 ppm2 1.504
ASSI {  5331}
  (( segid "SEGA" and resid 22  and name HN  ))
  (( segid "SEGA" and resid 22  and name HA  ))
     6 6 0 peak 5331 weight  0.1000E+01 volume 227.03880 ppm1 7.687 ppm2 4.573
ASSI {  5341}
  (( segid "SEGA" and resid 40  and name HN  ))
  (( segid "SEGA" and resid 57  and name HA  ))
     6 6 0 peak 5341 weight  0.1000E+01 volume 214.91980 ppm1 8.307 ppm2 4.975
ASSI {  5351}
  (( segid "SEGA" and resid 40  and name HN  ))
  (( segid "SEGA" and resid 40  and name HA  ))
     6 6 0 peak 5351 weight  0.1000E+01 volume 409.41791 ppm1 8.307 ppm2 4.651
ASSI {  5361}
  (( segid "SEGA" and resid 56  and name HN  ))
  (( segid "SEGA" and resid 56  and name HB2  ))
     6 6 0 peak 5361 weight  0.1000E+01 volume 144.57111 ppm1 8.394 ppm2 2.845
ASSI {  5391}
  (( segid "SEGA" and resid 119  and name HN  ))
  (( segid "SEGA" and resid 119  and name HA  ))
     6 6 0 peak 5391 weight  0.1000E+01 volume 1355.41260 ppm1 8.068 ppm2 4.661
ASSI {  5401}
  (( segid "SEGA" and resid 28  and name HN  ))
  (( segid "SEGA" and resid 28  and name HG1  ))
     6 6 0 peak 5401 weight  0.1000E+01 volume 173.68719 ppm1 7.670 ppm2 2.534
ASSI {  5411}
  (( segid "SEGA" and resid 66  and name HN  ))
  (( segid "SEGA" and resid 66  and name HB#  ))
     6 6 0 peak 5411 weight  0.1000E+01 volume 128.10139 ppm1 9.450 ppm2 1.612
ASSI {  5421}
  (( segid "SEGA" and resid 117  and name HN  ))
  (( segid "SEGA" and resid 117  and name HG2#  ))
     6 6 0 peak 5421 weight  0.1000E+01 volume 18.61060 ppm1 8.021 ppm2 1.231
ASSI {  5431}
  (( segid "SEGA" and resid 37  and name HN  ))
  (( segid "SEGA" and resid 37  and name HG2#  ))
     6 6 0 peak 5431 weight  0.1000E+01 volume 706.93292 ppm1 8.545 ppm2 0.917
ASSI {  5441}
  (( segid "SEGA" and resid 13  and name HN  ))
  (( segid "SEGA" and resid 13  and name HD1#  ))
     6 6 0 peak 5441 weight  0.1000E+01 volume 104.53780 ppm1 8.997 ppm2 0.895
ASSI {  5451}
  (( segid "SEGA" and resid 13  and name HN  ))
  (( segid "SEGA" and resid 13  and name HB2  ))
     6 6 0 peak 5451 weight  0.1000E+01 volume 81.74970 ppm1 8.997 ppm2 1.632
ASSI {  5461}
  (( segid "SEGA" and resid 47  and name HN  ))
  (( segid "SEGA" and resid 47  and name HD1#  ))
     6 6 0 peak 5461 weight  0.1000E+01 volume 43.95740 ppm1 8.907 ppm2 1.411
ASSI {  5471}
  (( segid "SEGA" and resid 29  and name HN  ))
  (( segid "SEGA" and resid 29  and name HA  ))
     6 6 0 peak 5471 weight  0.1000E+01 volume 37.56210 ppm1 8.772 ppm2 4.072
ASSI {  5481}
  (( segid "SEGA" and resid 111  and name HN  ))
  (( segid "SEGA" and resid 111  and name HB1  ))
     6 6 0 peak 5481 weight  0.1000E+01 volume 91.80830 ppm1 7.581 ppm2 1.549
ASSI {  5491}
  (( segid "SEGA" and resid 15  and name HN  ))
  (( segid "SEGA" and resid 14  and name HA2  ))
     6 6 0 peak 5491 weight  0.1000E+01 volume 267.06909 ppm1 8.361 ppm2 3.633
ASSI {  5501}
  (( segid "SEGA" and resid 42  and name HN  ))
  (( segid "SEGA" and resid 43  and name HN  ))
     6 6 0 peak 5501 weight  0.1000E+01 volume 131.06050 ppm1 8.392 ppm2 7.366
ASSI {  5511}
  (( segid "SEGA" and resid 60  and name HN  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 5511 weight  0.1000E+01 volume 77.96300 ppm1 8.743 ppm2 1.776
ASSI {  5521}
  (( segid "SEGA" and resid 59  and name HN  ))
  (( segid "SEGA" and resid 58  and name HB2  ))
     6 6 0 peak 5521 weight  0.1000E+01 volume 53.37240 ppm1 9.186 ppm2 3.250
ASSI {  5541}
  (( segid "SEGA" and resid 68  and name HN  ))
  (( segid "SEGA" and resid 66  and name HA  ))
     6 6 0 peak 5541 weight  0.1000E+01 volume 21.92280 ppm1 6.531 ppm2 4.673
ASSI {  5561}
  (( segid "SEGA" and resid 109  and name HN  ))
  (( segid "SEGA" and resid 109  and name HA  ))
     6 6 0 peak 5561 weight  0.1000E+01 volume 60.84560 ppm1 7.944 ppm2 4.298
ASSI {  5581}
  (( segid "SEGA" and resid 71  and name HN  ))
  (( segid "SEGA" and resid 70  and name HA  ))
     6 6 0 peak 5581 weight  0.1000E+01 volume 160.73511 ppm1 8.297 ppm2 5.275
ASSI {  5591}
  (( segid "SEGA" and resid 111  and name HN  ))
  (( segid "SEGA" and resid 108  and name HA  ))
     6 6 0 peak 5591 weight  0.1000E+01 volume 87.22280 ppm1 7.581 ppm2 4.662
ASSI {  5611}
  (( segid "SEGA" and resid 87  and name HN  ))
  (( segid "SEGA" and resid 86  and name HA  ))
     6 6 0 peak 5611 weight  0.1000E+01 volume 281.69199 ppm1 8.758 ppm2 5.183
ASSI {  5621}
  (( segid "SEGA" and resid 88  and name HN  ))
  (( segid "SEGA" and resid 87  and name HA  ))
     6 6 0 peak 5621 weight  0.1000E+01 volume 194.71910 ppm1 8.918 ppm2 5.263
ASSI {  5631}
  (( segid "SEGA" and resid 51  and name HN  ))
  (( segid "SEGA" and resid 50  and name HA  ))
     6 6 0 peak 5631 weight  0.1000E+01 volume 35.57010 ppm1 6.767 ppm2 4.613
ASSI {  5641}
  (( segid "SEGA" and resid 92  and name HN  ))
  (( segid "SEGA" and resid 91  and name HA  ))
     6 6 0 peak 5641 weight  0.1000E+01 volume 79.99990 ppm1 9.010 ppm2 4.574
ASSI {  5651}
  (( segid "SEGA" and resid 104  and name HN  ))
  (( segid "SEGA" and resid 103  and name HA  ))
     6 6 0 peak 5651 weight  0.1000E+01 volume 193.81290 ppm1 8.504 ppm2 5.046
ASSI {  5661}
  (( segid "SEGA" and resid 4  and name HN  ))
  (( segid "SEGA" and resid 4  and name HA  ))
     6 6 0 peak 5661 weight  0.1000E+01 volume 198.31000 ppm1 9.169 ppm2 4.660
ASSI {  5671}
  (( segid "SEGA" and resid 98  and name HN  ))
  (( segid "SEGA" and resid 98  and name HA1  ))
     6 6 0 peak 5671 weight  0.1000E+01 volume 221.91960 ppm1 8.835 ppm2 4.475
ASSI {  5681}
  (( segid "SEGA" and resid 97  and name HN  ))
  (( segid "SEGA" and resid 96  and name HA  ))
     6 6 0 peak 5681 weight  0.1000E+01 volume 429.98550 ppm1 8.023 ppm2 4.614
ASSI {  5701}
  (( segid "SEGA" and resid 103  and name HN  ))
  (( segid "SEGA" and resid 103  and name HA  ))
     6 6 0 peak 5701 weight  0.1000E+01 volume 217.94670 ppm1 7.974 ppm2 5.092
ASSI {  5711}
  (( segid "SEGA" and resid 51  and name HN  ))
  (( segid "SEGA" and resid 51  and name HB2  ))
     6 6 0 peak 5711 weight  0.1000E+01 volume 61.93900 ppm1 6.767 ppm2 0.732
ASSI {  5721}
  (( segid "SEGA" and resid 97  and name HN  ))
  (( segid "SEGA" and resid 97  and name HG2#  ))
     6 6 0 peak 5721 weight  0.1000E+01 volume 110.66970 ppm1 8.023 ppm2 0.868
ASSI {  5731}
  (( segid "SEGA" and resid 13  and name HN  ))
  (( segid "SEGA" and resid 12  and name HB1  ))
     6 6 0 peak 5731 weight  0.1000E+01 volume 72.27950 ppm1 8.997 ppm2 2.116
ASSI {  5741}
  (( segid "SEGA" and resid 22  and name HN  ))
  (( segid "SEGA" and resid 21  and name HA  ))
     6 6 0 peak 5741 weight  0.1000E+01 volume 337.81479 ppm1 7.687 ppm2 4.459
ASSI {  5761}
  (( segid "SEGA" and resid 25  and name HN  ))
  (( segid "SEGA" and resid 24  and name HB2  ))
     6 6 0 peak 5761 weight  0.1000E+01 volume 26.85500 ppm1 9.192 ppm2 2.889
ASSI {  5771}
  (( segid "SEGA" and resid 26  and name HN  ))
  (( segid "SEGA" and resid 25  and name HA  ))
     6 6 0 peak 5771 weight  0.1000E+01 volume 94.16550 ppm1 8.926 ppm2 4.546
ASSI {  5781}
  (( segid "SEGA" and resid 27  and name HN  ))
  (( segid "SEGA" and resid 26  and name HA  ))
     6 6 0 peak 5781 weight  0.1000E+01 volume 235.39700 ppm1 7.923 ppm2 3.590
ASSI {  5791}
  (( segid "SEGA" and resid 27  and name HN  ))
  (( segid "SEGA" and resid 27  and name HA1  ))
     6 6 0 peak 5791 weight  0.1000E+01 volume 132.22681 ppm1 7.923 ppm2 4.228
ASSI {  5801}
  (( segid "SEGA" and resid 55  and name HN  ))
  (( segid "SEGA" and resid 54  and name HA  ))
     6 6 0 peak 5801 weight  0.1000E+01 volume 87.83650 ppm1 9.216 ppm2 4.454
ASSI {  5841}
  (( segid "SEGA" and resid 25  and name N  ))
  (( segid "SEGA" and resid 24  and name HN  ))
     6 6 0 peak 5841 weight  0.1000E+01 volume 68.31870 ppm1 9.192 ppm2 9.450
ASSI {  5851}
  (( segid "SEGA" and resid 56  and name HN  ))
  (( segid "SEGA" and resid 57  and name HN  ))
     6 6 0 peak 5851 weight  0.1000E+01 volume 29.40710 ppm1 8.394 ppm2 7.839
ASSI {  5861}
  (( segid "SEGA" and resid 85  and name HN  ))
  (( segid "SEGA" and resid 85  and name HD1  ))
     6 6 0 peak 5861 weight  0.1000E+01 volume 305.81741 ppm1 6.466 ppm2 1.776
ASSI {  5871}
  (( segid "SEGA" and resid 91  and name HN  ))
  (( segid "SEGA" and resid 90  and name HD1  ))
     6 6 0 peak 5871 weight  0.1000E+01 volume 42.45810 ppm1 9.151 ppm2 6.880
ASSI {  5881}
  (( segid "SEGA" and resid 96  and name HN  ))
  (( segid "SEGA" and resid 95  and name HB  ))
     6 6 0 peak 5881 weight  0.1000E+01 volume 269.67542 ppm1 8.917 ppm2 1.820
ASSI {  5891}
  (( segid "SEGA" and resid 96  and name HN  ))
  (( segid "SEGA" and resid 95  and name HD1#  ))
     6 6 0 peak 5891 weight  0.1000E+01 volume 22.35310 ppm1 8.917 ppm2 0.654
ASSI {  5901}
  (( segid "SEGA" and resid 98  and name HN  ))
  (( segid "SEGA" and resid 99  and name HN  ))
     6 6 0 peak 5901 weight  0.1000E+01 volume 62.76410 ppm1 8.835 ppm2 8.157
ASSI {  5911}
  (( segid "SEGA" and resid 109  and name HN  ))
  (( segid "SEGA" and resid 108  and name HN  ))
     6 6 0 peak 5911 weight  0.1000E+01 volume 48.39010 ppm1 7.944 ppm2 8.428
ASSI {  5941}
  (( segid "SEGA" and resid 95  and name HN  ))
  (( segid "SEGA" and resid 24  and name HD1  ))
     6 6 0 peak 5941 weight  0.1000E+01 volume 32.89870 ppm1 8.427 ppm2 7.181
ASSI {  5951}
  (( segid "SEGA" and resid 95  and name HN  ))
  (( segid "SEGA" and resid 94  and name HG2  ))
     6 6 0 peak 5951 weight  0.1000E+01 volume 326.57910 ppm1 8.427 ppm2 1.991
ASSI {  5961}
  (( segid "SEGA" and resid 3  and name HN  ))
  (( segid "SEGA" and resid 7  and name HA  ))
     6 6 0 peak 5961 weight  0.1000E+01 volume 46.46300 ppm1 9.411 ppm2 4.886
ASSI {  5971}
  (( segid "SEGA" and resid 3  and name HN  ))
  (( segid "SEGA" and resid 6  and name HN  ))
     6 6 0 peak 5971 weight  0.1000E+01 volume 47.58560 ppm1 9.411 ppm2 8.609
ASSI {  6031}
  (( segid "SEGA" and resid 55  and name HN  ))
  (( segid "SEGA" and resid 55  and name HA  ))
     6 6 0 peak 6031 weight  0.1000E+01 volume 216.97150 ppm1 9.216 ppm2 4.660
ASSI {  6041}
  (( segid "SEGA" and resid 56  and name HN  ))
  (( segid "SEGA" and resid 56  and name HA  ))
     6 6 0 peak 6041 weight  0.1000E+01 volume 988.68988 ppm1 8.394 ppm2 4.659
ASSI {  6071}
  (( segid "SEGA" and resid 77  and name HN  ))
  (( segid "SEGA" and resid 91  and name HA  ))
     6 6 0 peak 6071 weight  0.1000E+01 volume 111.09930 ppm1 9.224 ppm2 4.592
ASSI {  6111}
  (( segid "SEGA" and resid 106  and name HN  ))
  (( segid "SEGA" and resid 105  and name HB1  ))
     6 6 0 peak 6111 weight  0.1000E+01 volume 25.45490 ppm1 8.475 ppm2 3.006
ASSI {  6171}
  (( segid "SEGA" and resid 100  and name HN  ))
  (( segid "SEGA" and resid 100  and name HB1  ))
     6 6 0 peak 6171 weight  0.1000E+01 volume 134.03780 ppm1 8.673 ppm2 2.207
ASSI {  6191}
  (( segid "SEGA" and resid 103  and name HN  ))
  (( segid "SEGA" and resid 103  and name HG12  ))
     6 6 0 peak 6191 weight  0.1000E+01 volume 45.65070 ppm1 7.974 ppm2 0.543
ASSI {  6201}
  (( segid "SEGA" and resid 23  and name HN  ))
  (( segid "SEGA" and resid 24  and name HN  ))
     6 6 0 peak 6201 weight  0.1000E+01 volume 20.56500 ppm1 8.117 ppm2 9.449
ASSI {  6221}
  (( segid "SEGA" and resid 54  and name HN  ))
  (( segid "SEGA" and resid 58  and name HA  ))
     6 6 0 peak 6221 weight  0.1000E+01 volume 212.06450 ppm1 8.673 ppm2 5.612
ASSI {  6241}
  (( segid "SEGA" and resid 30  and name HN  ))
  (( segid "SEGA" and resid 90  and name HA  ))
     6 6 0 peak 6241 weight  0.1000E+01 volume 35.95620 ppm1 9.248 ppm2 5.567
ASSI {  6251}
  (( segid "SEGA" and resid 36  and name HN  ))
  (( segid "SEGA" and resid 61  and name HA  ))
     6 6 0 peak 6251 weight  0.1000E+01 volume 26.76520 ppm1 8.749 ppm2 4.667
ASSI {  6261}
  (( segid "SEGA" and resid 84  and name HN  ))
  (( segid "SEGA" and resid 84  and name HA  ))
     6 6 0 peak 6261 weight  0.1000E+01 volume 126.24680 ppm1 8.388 ppm2 3.634
ASSI {  6271}
  (( segid "SEGA" and resid 34  and name HN  ))
  (( segid "SEGA" and resid 34  and name HB1  ))
     6 6 0 peak 6271 weight  0.1000E+01 volume 246.47090 ppm1 7.989 ppm2 1.416
ASSI {  6281}
  (( segid "SEGA" and resid 61  and name HN  ))
  (( segid "SEGA" and resid 60  and name HA  ))
     6 6 0 peak 6281 weight  0.1000E+01 volume 145.51759 ppm1 8.931 ppm2 4.946
ASSI {  6291}
  (( segid "SEGA" and resid 41  and name HN  ))
  (( segid "SEGA" and resid 40  and name HN  ))
     6 6 0 peak 6291 weight  0.1000E+01 volume 28.66630 ppm1 10.647 ppm2 8.309
ASSI {  6301}
  (( segid "SEGA" and resid 67  and name HN  ))
  (( segid "SEGA" and resid 68  and name HN  ))
     6 6 0 peak 6301 weight  0.1000E+01 volume 48.88540 ppm1 7.923 ppm2 6.523
ASSI {  6311}
  (( segid "SEGA" and resid 19  and name HN  ))
  (( segid "SEGA" and resid 8  and name HA  ))
     6 6 0 peak 6311 weight  0.1000E+01 volume 68.08910 ppm1 9.419 ppm2 5.046
ASSI {  6321}
  (( segid "SEGA" and resid 48  and name HN  ))
  (( segid "SEGA" and resid 45  and name HA  ))
     6 6 0 peak 6321 weight  0.1000E+01 volume 36.03190 ppm1 7.403 ppm2 4.296
ASSI {  6331}
  (( segid "SEGA" and resid 60  and name HN  ))
  (( segid "SEGA" and resid 60  and name HA  ))
     6 6 0 peak 6331 weight  0.1000E+01 volume 28.36730 ppm1 8.743 ppm2 4.912
ASSI {  6341}
  (( segid "SEGA" and resid 81  and name HN  ))
  (( segid "SEGA" and resid 86  and name HN  ))
     6 6 0 peak 6341 weight  0.1000E+01 volume 26.10840 ppm1 8.427 ppm2 7.702
ASSI {  6371}
  (( segid "SEGA" and resid 84  and name HN  ))
  (( segid "SEGA" and resid 84  and name HD1#  ))
     6 6 0 peak 6371 weight  0.1000E+01 volume 16.23130 ppm1 8.388 ppm2 0.550
ASSI {  6381}
  (( segid "SEGA" and resid 58  and name HN  ))
  (( segid "SEGA" and resid 39  and name HA  ))
     6 6 0 peak 6381 weight  0.1000E+01 volume 38.38950 ppm1 8.715 ppm2 4.661
ASSI {  6391}
  (( segid "SEGA" and resid 58  and name HN  ))
  (( segid "SEGA" and resid 58  and name HA  ))
     6 6 0 peak 6391 weight  0.1000E+01 volume 33.84400 ppm1 8.715 ppm2 5.613
ASSI {  6431}
  (( segid "SEGA" and resid 35  and name HN  ))
  (( segid "SEGA" and resid 35  and name HB2  ))
     6 6 0 peak 6431 weight  0.1000E+01 volume 30.31970 ppm1 7.639 ppm2 2.435
ASSI {  6451}
  (( segid "SEGA" and resid 4  and name HN  ))
  (( segid "SEGA" and resid 4  and name HB1  ))
     6 6 0 peak 6451 weight  0.1000E+01 volume 34.73470 ppm1 9.168 ppm2 3.399
ASSI {  6501}
  (( segid "SEGA" and resid 78  and name HN  ))
  (( segid "SEGA" and resid 78  and name HA  ))
     6 6 0 peak 6501 weight  0.1000E+01 volume 22.93970 ppm1 8.334 ppm2 5.865
ASSI {  6521}
  (( segid "SEGA" and resid 62  and name HN  ))
  (( segid "SEGA" and resid 62  and name HA  ))
     6 6 0 peak 6521 weight  0.1000E+01 volume 19.63210 ppm1 8.623 ppm2 4.432
ASSI {  6541}
  (( segid "SEGA" and resid 52  and name HN  ))
  (( segid "SEGA" and resid 59  and name HN  ))
     6 6 0 peak 6541 weight  0.1000E+01 volume 14.34970 ppm1 8.516 ppm2 9.189
ASSI {  6611}
  (( segid "SEGA" and resid 87  and name HN  ))
  (( segid "SEGA" and resid 33  and name HN  ))
     6 6 0 peak 6611 weight  0.1000E+01 volume 18.89180 ppm1 8.758 ppm2 9.399
ASSI {  6621}
  (( segid "SEGA" and resid 33  and name HN  ))
  (( segid "SEGA" and resid 33  and name HB1  ))
     6 6 0 peak 6621 weight  0.1000E+01 volume 19.58430 ppm1 9.401 ppm2 3.195
ASSI {  6631}
  (( segid "SEGA" and resid 113  and name HN  ))
  (( segid "SEGA" and resid 113  and name HA  ))
     6 6 0 peak 6631 weight  0.1000E+01 volume 889.83582 ppm1 7.768 ppm2 4.660
ASSI {  6671}
  (( segid "SEGA" and resid 63  and name HN  ))
  (( segid "SEGA" and resid 63  and name HA1  ))
     6 6 0 peak 6671 weight  0.1000E+01 volume 42.05210 ppm1 7.982 ppm2 3.750
ASSI {  6691}
  (( segid "SEGA" and resid 30  and name HN  ))
  (( segid "SEGA" and resid 30  and name HB  ))
     6 6 0 peak 6691 weight  0.1000E+01 volume 43.79640 ppm1 9.248 ppm2 1.436
ASSI {  6701}
  (( segid "SEGA" and resid 30  and name HN  ))
  (( segid "SEGA" and resid 30  and name HA  ))
     6 6 0 peak 6701 weight  0.1000E+01 volume 30.51240 ppm1 9.248 ppm2 3.956
ASSI {  6721}
  (( segid "SEGA" and resid 66  and name HN  ))
  (( segid "SEGA" and resid 67  and name HN  ))
     6 6 0 peak 6721 weight  0.1000E+01 volume 20.22580 ppm1 9.450 ppm2 7.940
ASSI {  6781}
  (( segid "SEGA" and resid 7  and name HN  ))
  (( segid "SEGA" and resid 7  and name HA  ))
     6 6 0 peak 6781 weight  0.1000E+01 volume 33.81240 ppm1 9.064 ppm2 4.889
ASSI {  6791}
  (( segid "SEGA" and resid 8  and name HN  ))
  (( segid "SEGA" and resid 2  and name HA  ))
     6 6 0 peak 6791 weight  0.1000E+01 volume 23.56130 ppm1 8.548 ppm2 5.378
ASSI {  6831}
  (( segid "SEGA" and resid 7  and name HN  ))
  (( segid "SEGA" and resid 19  and name HN  ))
     6 6 0 peak 6831 weight  0.1000E+01 volume 38.94970 ppm1 9.064 ppm2 9.405
ASSI {  6841}
  (( segid "SEGA" and resid 11  and name HN  ))
  (( segid "SEGA" and resid 11  and name HB1  ))
     6 6 0 peak 6841 weight  0.1000E+01 volume 212.90131 ppm1 8.490 ppm2 3.945
ASSI {  6891}
  (( segid "SEGA" and resid 11  and name HN  ))
  (( segid "SEGA" and resid 11  and name HA  ))
     6 6 0 peak 6891 weight  0.1000E+01 volume 3.59720 ppm1 8.490 ppm2 5.350
ASSI {  6981}
  (( segid "SEGA" and resid 16  and name HN  ))
  (( segid "SEGA" and resid 16  and name HD1  ))
     6 6 0 peak 6981 weight  0.1000E+01 volume 129.52679 ppm1 8.543 ppm2 6.933
ASSI {  7051}
  (( segid "SEGA" and resid 19  and name HN  ))
  (( segid "SEGA" and resid 7  and name HN  ))
     6 6 0 peak 7051 weight  0.1000E+01 volume 27.44550 ppm1 9.419 ppm2 9.075
ASSI {  7111}
  (( segid "SEGA" and resid 20  and name HN  ))
  (( segid "SEGA" and resid 99  and name HN  ))
     6 6 0 peak 7111 weight  0.1000E+01 volume 29.54230 ppm1 8.804 ppm2 8.140
ASSI {  7121}
  (( segid "SEGA" and resid 20  and name HN  ))
  (( segid "SEGA" and resid 101  and name HG12  ))
     6 6 0 peak 7121 weight  0.1000E+01 volume 45.58830 ppm1 8.805 ppm2 0.856
ASSI {  7131}
  (( segid "SEGA" and resid 21  and name HN  ))
  (( segid "SEGA" and resid 21  and name HA  ))
     6 6 0 peak 7131 weight  0.1000E+01 volume 19.70800 ppm1 9.648 ppm2 4.459
ASSI {  7141}
  (( segid "SEGA" and resid 21  and name HN  ))
  (( segid "SEGA" and resid 22  and name HN  ))
     6 6 0 peak 7141 weight  0.1000E+01 volume 78.46410 ppm1 9.648 ppm2 7.682
ASSI {  7151}
  (( segid "SEGA" and resid 21  and name HN  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 7151 weight  0.1000E+01 volume 85.31320 ppm1 9.646 ppm2 2.081
ASSI {  7171}
  (( segid "SEGA" and resid 21  and name HN  ))
  (( segid "SEGA" and resid 21  and name HG2  ))
     6 6 0 peak 7171 weight  0.1000E+01 volume 16.68500 ppm1 9.648 ppm2 1.625
ASSI {  7211}
  (( segid "SEGA" and resid 21  and name HN  ))
  (( segid "SEGA" and resid 20  and name HA  ))
     6 6 0 peak 7211 weight  0.1000E+01 volume 46.28120 ppm1 9.648 ppm2 4.639
ASSI {  7231}
  (( segid "SEGA" and resid 22  and name HN  ))
  (( segid "SEGA" and resid 23  and name HN  ))
     6 6 0 peak 7231 weight  0.1000E+01 volume 11.22550 ppm1 7.687 ppm2 8.110
ASSI {  7241}
  (( segid "SEGA" and resid 22  and name HN  ))
  (( segid "SEGA" and resid 22  and name HE1  ))
     6 6 0 peak 7241 weight  0.1000E+01 volume 28.71470 ppm1 7.687 ppm2 3.201
ASSI {  7301}
  (( segid "SEGA" and resid 24  and name HN  ))
  (( segid "SEGA" and resid 96  and name HA  ))
     6 6 0 peak 7301 weight  0.1000E+01 volume 106.74970 ppm1 9.447 ppm2 4.617
ASSI {  7321}
  (( segid "SEGA" and resid 26  and name HN  ))
  (( segid "SEGA" and resid 26  and name HE1  ))
     6 6 0 peak 7321 weight  0.1000E+01 volume 24.10000 ppm1 8.926 ppm2 3.043
ASSI {  7351}
  (( segid "SEGA" and resid 31  and name HN  ))
  (( segid "SEGA" and resid 31  and name HB1  ))
     6 6 0 peak 7351 weight  0.1000E+01 volume 32.78340 ppm1 7.001 ppm2 2.070
ASSI {  7401}
  (( segid "SEGA" and resid 33  and name HN  ))
  (( segid "SEGA" and resid 87  and name HN  ))
     6 6 0 peak 7401 weight  0.1000E+01 volume 9.53660 ppm1 9.401 ppm2 8.748
ASSI {  7461}
  (( segid "SEGA" and resid 34  and name HN  ))
  (( segid "SEGA" and resid 34  and name HD2#  ))
     6 6 0 peak 7461 weight  0.1000E+01 volume 16.43850 ppm1 7.989 ppm2 0.347
ASSI {  7471}
  (( segid "SEGA" and resid 35  and name HN  ))
  (( segid "SEGA" and resid 36  and name HN  ))
     6 6 0 peak 7471 weight  0.1000E+01 volume 25.83240 ppm1 7.639 ppm2 8.750
ASSI {  7481}
  (( segid "SEGA" and resid 36  and name HN  ))
  (( segid "SEGA" and resid 36  and name HA  ))
     6 6 0 peak 7481 weight  0.1000E+01 volume 21.59430 ppm1 8.749 ppm2 4.350
ASSI {  7541}
  (( segid "SEGA" and resid 38  and name HN  ))
  (( segid "SEGA" and resid 38  and name HG1  ))
     6 6 0 peak 7541 weight  0.1000E+01 volume 65.21810 ppm1 9.314 ppm2 1.404
ASSI {  7551}
  (( segid "SEGA" and resid 39  and name HN  ))
  (( segid "SEGA" and resid 39  and name HA  ))
     6 6 0 peak 7551 weight  0.1000E+01 volume 236.50850 ppm1 9.082 ppm2 4.663
ASSI {  7561}
  (( segid "SEGA" and resid 39  and name HN  ))
  (( segid "SEGA" and resid 38  and name HA  ))
     6 6 0 peak 7561 weight  0.1000E+01 volume 115.64840 ppm1 9.082 ppm2 4.921
ASSI {  7621}
  (( segid "SEGA" and resid 42  and name HN  ))
  (( segid "SEGA" and resid 42  and name HA  ))
     6 6 0 peak 7621 weight  0.1000E+01 volume 1046.04993 ppm1 8.386 ppm2 4.663
ASSI {  7631}
  (( segid "SEGA" and resid 44  and name HN  ))
  (( segid "SEGA" and resid 44  and name HA1  ))
     6 6 0 peak 7631 weight  0.1000E+01 volume 40.98210 ppm1 9.843 ppm2 4.073
ASSI {  7641}
  (( segid "SEGA" and resid 44  and name HN  ))
  (( segid "SEGA" and resid 41  and name HA  ))
     6 6 0 peak 7641 weight  0.1000E+01 volume 103.38440 ppm1 9.843 ppm2 4.641
ASSI {  7651}
  (( segid "SEGA" and resid 44  and name HN  ))
  (( segid "SEGA" and resid 43  and name HA  ))
     6 6 0 peak 7651 weight  0.1000E+01 volume 75.90540 ppm1 9.843 ppm2 4.957
ASSI {  7661}
  (( segid "SEGA" and resid 45  and name HN  ))
  (( segid "SEGA" and resid 43  and name HB1  ))
     6 6 0 peak 7661 weight  0.1000E+01 volume 19.01250 ppm1 8.240 ppm2 3.481
ASSI {  7691}
  (( segid "SEGA" and resid 46  and name HN  ))
  (( segid "SEGA" and resid 47  and name HN  ))
     6 6 0 peak 7691 weight  0.1000E+01 volume 24.85500 ppm1 8.007 ppm2 8.896
ASSI {  7761}
  (( segid "SEGA" and resid 52  and name HN  ))
  (( segid "SEGA" and resid 52  and name HA  ))
     6 6 0 peak 7761 weight  0.1000E+01 volume 31.88190 ppm1 8.516 ppm2 4.883
ASSI {  7771}
  (( segid "SEGA" and resid 52  and name HN  ))
  (( segid "SEGA" and resid 52  and name HB2  ))
     6 6 0 peak 7771 weight  0.1000E+01 volume 35.19200 ppm1 8.516 ppm2 2.738
ASSI {  7811}
  (( segid "SEGA" and resid 53  and name HN  ))
  (( segid "SEGA" and resid 53  and name HA  ))
     6 6 0 peak 7811 weight  0.1000E+01 volume 53.96460 ppm1 8.756 ppm2 5.468
ASSI {  7861}
  (( segid "SEGA" and resid 59  and name HN  ))
  (( segid "SEGA" and resid 52  and name HN  ))
     6 6 0 peak 7861 weight  0.1000E+01 volume 21.80460 ppm1 9.186 ppm2 8.512
ASSI {  7911}
  (( segid "SEGA" and resid 62  and name HN  ))
  (( segid "SEGA" and resid 35  and name HA  ))
     6 6 0 peak 7911 weight  0.1000E+01 volume 36.89400 ppm1 8.623 ppm2 5.348
ASSI {  7931}
  (( segid "SEGA" and resid 63  and name HN  ))
  (( segid "SEGA" and resid 61  and name HA  ))
     6 6 0 peak 7931 weight  0.1000E+01 volume 79.11690 ppm1 7.982 ppm2 4.655
ASSI {  7971}
  (( segid "SEGA" and resid 64  and name HN  ))
  (( segid "SEGA" and resid 64  and name HA  ))
     6 6 0 peak 7971 weight  0.1000E+01 volume 36.18660 ppm1 9.715 ppm2 4.864
ASSI {  7981}
  (( segid "SEGA" and resid 64  and name HN  ))
  (( segid "SEGA" and resid 63  and name HA1  ))
     6 6 0 peak 7981 weight  0.1000E+01 volume 72.28210 ppm1 9.714 ppm2 3.749
ASSI {  8011}
  (( segid "SEGA" and resid 64  and name HN  ))
  (( segid "SEGA" and resid 63  and name HA2  ))
     6 6 0 peak 8011 weight  0.1000E+01 volume 51.26070 ppm1 9.714 ppm2 3.226
ASSI {  8061}
  (( segid "SEGA" and resid 66  and name HN  ))
  (( segid "SEGA" and resid 66  and name HA  ))
     6 6 0 peak 8061 weight  0.1000E+01 volume 184.01981 ppm1 9.450 ppm2 4.664
ASSI {  8101}
  (( segid "SEGA" and resid 69  and name HN  ))
  (( segid "SEGA" and resid 68  and name HA  ))
     6 6 0 peak 8101 weight  0.1000E+01 volume 13.77150 ppm1 9.958 ppm2 4.079
ASSI {  8121}
  (( segid "SEGA" and resid 70  and name HN  ))
  (( segid "SEGA" and resid 70  and name HA  ))
     6 6 0 peak 8121 weight  0.1000E+01 volume 23.25210 ppm1 8.223 ppm2 5.272
ASSI {  8141}
  (( segid "SEGA" and resid 72  and name HN  ))
  (( segid "SEGA" and resid 71  and name HA  ))
     6 6 0 peak 8141 weight  0.1000E+01 volume 595.77728 ppm1 8.647 ppm2 4.662
ASSI {  8351}
  (( segid "SEGA" and resid 82  and name HN  ))
  (( segid "SEGA" and resid 81  and name HA  ))
     6 6 0 peak 8351 weight  0.1000E+01 volume 84.95830 ppm1 8.519 ppm2 4.376
ASSI {  8391}
  (( segid "SEGA" and resid 87  and name HN  ))
  (( segid "SEGA" and resid 87  and name HG1  ))
     6 6 0 peak 8391 weight  0.1000E+01 volume 147.77220 ppm1 8.758 ppm2 1.981
ASSI {  8401}
  (( segid "SEGA" and resid 87  and name HN  ))
  (( segid "SEGA" and resid 87  and name HB1  ))
     6 6 0 peak 8401 weight  0.1000E+01 volume 325.81589 ppm1 8.758 ppm2 1.718
ASSI {  8421}
  (( segid "SEGA" and resid 87  and name HN  ))
  (( segid "SEGA" and resid 87  and name HE#  ))
     6 6 0 peak 8421 weight  0.1000E+01 volume 234.17059 ppm1 8.758 ppm2 1.614
ASSI {  8461}
  (( segid "SEGA" and resid 89  and name HN  ))
  (( segid "SEGA" and resid 30  and name HN  ))
     6 6 0 peak 8461 weight  0.1000E+01 volume 19.64420 ppm1 8.321 ppm2 9.247
ASSI {  8491}
  (( segid "SEGA" and resid 91  and name HN  ))
  (( segid "SEGA" and resid 91  and name HB  ))
     6 6 0 peak 8491 weight  0.1000E+01 volume 97.64340 ppm1 9.151 ppm2 5.045
ASSI {  8521}
  (( segid "SEGA" and resid 92  and name HN  ))
  (( segid "SEGA" and resid 92  and name HG2#  ))
     6 6 0 peak 8521 weight  0.1000E+01 volume 55.42890 ppm1 9.010 ppm2 0.854
ASSI {  8571}
  (( segid "SEGA" and resid 95  and name HN  ))
  (( segid "SEGA" and resid 24  and name HA  ))
     6 6 0 peak 8571 weight  0.1000E+01 volume 13.76860 ppm1 8.427 ppm2 5.022
ASSI {  8601}
  (( segid "SEGA" and resid 95  and name HN  ))
  (( segid "SEGA" and resid 95  and name HD1#  ))
     6 6 0 peak 8601 weight  0.1000E+01 volume 25.82390 ppm1 8.427 ppm2 0.664
ASSI {  8681}
  (( segid "SEGA" and resid 102  and name HN  ))
  (( segid "SEGA" and resid 102  and name HA  ))
     6 6 0 peak 8681 weight  0.1000E+01 volume 23.93560 ppm1 9.501 ppm2 5.070
ASSI {  8721}
  (( segid "SEGA" and resid 103  and name HN  ))
  (( segid "SEGA" and resid 101  and name HA  ))
     6 6 0 peak 8721 weight  0.1000E+01 volume 85.01590 ppm1 7.975 ppm2 4.679
ASSI {  8761}
  (( segid "SEGA" and resid 107  and name HN  ))
  (( segid "SEGA" and resid 107  and name HB1  ))
     6 6 0 peak 8761 weight  0.1000E+01 volume 66.37120 ppm1 8.405 ppm2 2.750
ASSI {  8821}
  (( segid "SEGA" and resid 9  and name HN  ))
  (( segid "SEGA" and resid 18  and name HA  ))
     6 6 0 peak 8821 weight  0.1000E+01 volume 104.59440 ppm1 8.580 ppm2 4.206
ASSI {  8911}
  (( segid "SEGA" and resid 43  and name HN  ))
  (( segid "SEGA" and resid 44  and name HN  ))
     6 6 0 peak 8911 weight  0.1000E+01 volume 24.54540 ppm1 7.370 ppm2 9.861
ASSI {  8931}
  (( segid "SEGA" and resid 49  and name HN  ))
  (( segid "SEGA" and resid 61  and name HN  ))
     6 6 0 peak 8931 weight  0.1000E+01 volume 9.14810 ppm1 8.567 ppm2 8.933
ASSI {  9031}
  (( segid "SEGA" and resid 61  and name HN  ))
  (( segid "SEGA" and resid 51  and name HA  ))
     6 6 0 peak 9031 weight  0.1000E+01 volume 15.26070 ppm1 8.931 ppm2 4.077
ASSI {  9041}
  (( segid "SEGA" and resid 50  and name HN  ))
  (( segid "SEGA" and resid 61  and name HN  ))
     6 6 0 peak 9041 weight  0.1000E+01 volume 8.15770 ppm1 8.135 ppm2 8.918
ASSI {  9101}
  (( segid "SEGA" and resid 67  and name HN  ))
  (( segid "SEGA" and resid 64  and name HA  ))
     6 6 0 peak 9101 weight  0.1000E+01 volume 13.78380 ppm1 7.923 ppm2 4.863
ASSI {  9111}
  (( segid "SEGA" and resid 64  and name HN  ))
  (( segid "SEGA" and resid 65  and name HN  ))
     6 6 0 peak 9111 weight  0.1000E+01 volume 15.54450 ppm1 9.715 ppm2 8.380
ASSI {  9121}
  (( segid "SEGA" and resid 68  and name HN  ))
  (( segid "SEGA" and resid 65  and name HA1  ))
     6 6 0 peak 9121 weight  0.1000E+01 volume 12.29110 ppm1 6.531 ppm2 4.236
ASSI {  9131}
  (( segid "SEGA" and resid 65  and name HN  ))
  (( segid "SEGA" and resid 66  and name HN  ))
     6 6 0 peak 9131 weight  0.1000E+01 volume 28.48920 ppm1 8.353 ppm2 9.451
ASSI {  9141}
  (( segid "SEGA" and resid 79  and name HN  ))
  (( segid "SEGA" and resid 88  and name HN  ))
     6 6 0 peak 9141 weight  0.1000E+01 volume 146.59171 ppm1 9.100 ppm2 8.922
ASSI {  9151}
  (( segid "SEGA" and resid 81  and name HN  ))
  (( segid "SEGA" and resid 87  and name HA  ))
     6 6 0 peak 9151 weight  0.1000E+01 volume 172.81200 ppm1 8.427 ppm2 5.294
ASSI {  9161}
  (( segid "SEGA" and resid 88  and name HN  ))
  (( segid "SEGA" and resid 80  and name HA  ))
     6 6 0 peak 9161 weight  0.1000E+01 volume 132.63150 ppm1 8.918 ppm2 5.280
ASSI {  9191}
  (( segid "SEGA" and resid 90  and name HN  ))
  (( segid "SEGA" and resid 78  and name HA  ))
     6 6 0 peak 9191 weight  0.1000E+01 volume 21.65850 ppm1 8.700 ppm2 5.863
ASSI {  9211}
  (( segid "SEGA" and resid 101  and name HN  ))
  (( segid "SEGA" and resid 19  and name HA  ))
     6 6 0 peak 9211 weight  0.1000E+01 volume 10.06190 ppm1 9.278 ppm2 5.088
ASSI {  9271}
  (( segid "SEGA" and resid 22  and name HN  ))
  (( segid "SEGA" and resid 98  and name HA1  ))
     6 6 0 peak 9271 weight  0.1000E+01 volume 210.50490 ppm1 7.686 ppm2 4.475
ASSI {  9341}
  (( segid "SEGA" and resid 60  and name HN  ))
  (( segid "SEGA" and resid 37  and name HA  ))
     6 6 0 peak 9341 weight  0.1000E+01 volume 9.14540 ppm1 8.743 ppm2 5.245
ASSI {  9351}
  (( segid "SEGA" and resid 58  and name HN  ))
  (( segid "SEGA" and resid 38  and name HN  ))
     6 6 0 peak 9351 weight  0.1000E+01 volume 12.62150 ppm1 8.715 ppm2 9.319
ASSI {  9361}
  (( segid "SEGA" and resid 38  and name HN  ))
  (( segid "SEGA" and resid 59  and name HA  ))
     6 6 0 peak 9361 weight  0.1000E+01 volume 5.46480 ppm1 9.314 ppm2 5.720
ASSI {  9541}
  (( segid "SEGA" and resid 112  and name HN  ))
  (( segid "SEGA" and resid 111  and name HN  ))
     6 6 0 peak 9541 weight  0.1000E+01 volume 26.89310 ppm1 7.904 ppm2 7.569
ASSI {  9621}
  (( segid "SEGA" and resid 116  and name HN  ))
  (( segid "SEGA" and resid 116  and name HD1#  ))
     6 6 0 peak 9621 weight  0.1000E+01 volume 10.00620 ppm1 8.303 ppm2 0.939
ASSI {  9681}
  (( segid "SEGA" and resid 44  and name HN  ))
  (( segid "SEGA" and resid 45  and name HN  ))
     6 6 0 peak 9681 weight  0.1000E+01 volume 9.25060 ppm1 9.843 ppm2 8.221
ASSI {  9721}
  (( segid "SEGA" and resid 71  and name HN  ))
  (( segid "SEGA" and resid 71  and name HB1  ))
     6 6 0 peak 9721 weight  0.1000E+01 volume 25.38350 ppm1 8.297 ppm2 3.821
ASSI {  9731}
  (( segid "SEGA" and resid 71  and name HN  ))
  (( segid "SEGA" and resid 71  and name HB2  ))
     6 6 0 peak 9731 weight  0.1000E+01 volume 20.30490 ppm1 8.297 ppm2 3.114
ASSI { 10111}
  (( segid "SEGA" and resid 107  and name HN  ))
  (( segid "SEGA" and resid 107  and name HA  ))
     6 6 0 peak 10111 weight  0.1000E+01 volume 1167.05530 ppm1 8.405 ppm2 4.658
ASSI { 10121}
  (( segid "SEGA" and resid 108  and name HN  ))
  (( segid "SEGA" and resid 108  and name HA  ))
     6 6 0 peak 10121 weight  0.1000E+01 volume 598.21838 ppm1 8.426 ppm2 4.653
ASSI { 10131}
  (( segid "SEGA" and resid 3  and name HN  ))
  (( segid "SEGA" and resid 5  and name HN  ))
     6 6 0 peak 10131 weight  0.1000E+01 volume 18.29450 ppm1 9.411 ppm2 9.047
ASSI { 10181}
  (( segid "SEGA" and resid 56  and name HN  ))
  (( segid "SEGA" and resid 56  and name HB1  ))
     6 6 0 peak 10181 weight  0.1000E+01 volume 25.67850 ppm1 8.394 ppm2 3.023
ASSI { 10341}
  (( segid "SEGA" and resid 45  and name HN  ))
  (( segid "SEGA" and resid 43  and name HB2  ))
     6 6 0 peak 10341 weight  0.1000E+01 volume 31.82790 ppm1 8.240 ppm2 3.113
ASSI { 10421}
  (( segid "SEGA" and resid 6  and name HN  ))
  (( segid "SEGA" and resid 6  and name HB  ))
     6 6 0 peak 10421 weight  0.1000E+01 volume 14.84310 ppm1 8.630 ppm2 2.060
ASSI { 10431}
  (( segid "SEGA" and resid 18  and name HN  ))
  (( segid "SEGA" and resid 18  and name HA  ))
     6 6 0 peak 10431 weight  0.1000E+01 volume 16.03650 ppm1 8.760 ppm2 4.206
ASSI { 10471}
  (( segid "SEGA" and resid 18  and name HN  ))
  (( segid "SEGA" and resid 18  and name HB  ))
     6 6 0 peak 10471 weight  0.1000E+01 volume 28.60950 ppm1 8.760 ppm2 1.342
ASSI { 10771}
  (( segid "SEGA" and resid 111  and name HN  ))
  (( segid "SEGA" and resid 111  and name HA  ))
     6 6 0 peak 10771 weight  0.1000E+01 volume 34.49750 ppm1 7.581 ppm2 4.207
ASSI { 10781}
  (( segid "SEGA" and resid 111  and name HN  ))
  (( segid "SEGA" and resid 111  and name HD1#  ))
     6 6 0 peak 10781 weight  0.1000E+01 volume 18.98520 ppm1 7.581 ppm2 0.890
ASSI { 10851}
  (( segid "SEGA" and resid 7  and name HN  ))
  (( segid "SEGA" and resid 6  and name HB  ))
     6 6 0 peak 10851 weight  0.1000E+01 volume 43.26470 ppm1 9.065 ppm2 2.060
ASSI { 10871}
  (( segid "SEGA" and resid 36  and name HN  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 10871 weight  0.1000E+01 volume 10.35160 ppm1 8.749 ppm2 0.317
ASSI { 10891}
  (( segid "SEGA" and resid 92  and name HN  ))
  (( segid "SEGA" and resid 92  and name HG11  ))
     6 6 0 peak 10891 weight  0.1000E+01 volume 41.54730 ppm1 9.010 ppm2 1.163
ASSI { 10911}
  (( segid "SEGA" and resid 92  and name HN  ))
  (( segid "SEGA" and resid 92  and name HA  ))
     6 6 0 peak 10911 weight  0.1000E+01 volume 44.20080 ppm1 9.010 ppm2 4.671
ASSI { 10971}
  (( segid "SEGA" and resid 103  and name HN  ))
  (( segid "SEGA" and resid 103  and name HB  ))
     6 6 0 peak 10971 weight  0.1000E+01 volume 9.49250 ppm1 7.974 ppm2 2.024
ASSI { 10991}
  (( segid "SEGA" and resid 9  and name HN  ))
  (( segid "SEGA" and resid 9  and name HB1  ))
     6 6 0 peak 10991 weight  0.1000E+01 volume 73.03500 ppm1 8.580 ppm2 1.819
ASSI { 11001}
  (( segid "SEGA" and resid 9  and name HN  ))
  (( segid "SEGA" and resid 9  and name HB2  ))
     6 6 0 peak 11001 weight  0.1000E+01 volume 46.69500 ppm1 8.580 ppm2 1.504
ASSI { 11011}
  (( segid "SEGA" and resid 9  and name HN  ))
  (( segid "SEGA" and resid 9  and name HG1  ))
     6 6 0 peak 11011 weight  0.1000E+01 volume 39.02340 ppm1 8.580 ppm2 1.152
ASSI { 11051}
  (( segid "SEGA" and resid 10  and name HN  ))
  (( segid "SEGA" and resid 10  and name HE1  ))
     6 6 0 peak 11051 weight  0.1000E+01 volume 30.47430 ppm1 8.353 ppm2 2.966
ASSI { 11091}
  (( segid "SEGA" and resid 26  and name HN  ))
  (( segid "SEGA" and resid 26  and name HG1  ))
     6 6 0 peak 11091 weight  0.1000E+01 volume 33.02260 ppm1 8.925 ppm2 1.220
ASSI { 11191}
  (( segid "SEGA" and resid 85  and name HN  ))
  (( segid "SEGA" and resid 85  and name HE1  ))
     6 6 0 peak 11191 weight  0.1000E+01 volume 8.77420 ppm1 6.466 ppm2 3.147
ASSI { 11261}
  (( segid "SEGA" and resid 5  and name HN  ))
  (( segid "SEGA" and resid 5  and name HG1  ))
     6 6 0 peak 11261 weight  0.1000E+01 volume 10.83190 ppm1 9.029 ppm2 1.963
ASSI { 11431}
  (( segid "SEGA" and resid 52  and name HN  ))
  (( segid "SEGA" and resid 52  and name HB1  ))
     6 6 0 peak 11431 weight  0.1000E+01 volume 68.32140 ppm1 8.516 ppm2 3.086
ASSI { 11591}
  (( segid "SEGA" and resid 46  and name HN  ))
  (( segid "SEGA" and resid 43  and name HA  ))
     6 6 0 peak 11591 weight  0.1000E+01 volume 2.87430 ppm1 8.007 ppm2 4.980
ASSI { 11601}
  (( segid "SEGA" and resid 48  and name HN  ))
  (( segid "SEGA" and resid 44  and name HA1  ))
     6 6 0 peak 11601 weight  0.1000E+01 volume 18.48230 ppm1 7.403 ppm2 4.076
ASSI { 11611}
  (( segid "SEGA" and resid 69  and name HN  ))
  (( segid "SEGA" and resid 66  and name HA  ))
     6 6 0 peak 11611 weight  0.1000E+01 volume 158.31779 ppm1 9.958 ppm2 4.663
ASSI { 11621}
  (( segid "SEGA" and resid 95  and name HN  ))
  (( segid "SEGA" and resid 25  and name HA  ))
     6 6 0 peak 11621 weight  0.1000E+01 volume 415.40579 ppm1 8.427 ppm2 4.557
ASSI { 11631}
  (( segid "SEGA" and resid 101  and name HN  ))
  (( segid "SEGA" and resid 18  and name HN  ))
     6 6 0 peak 11631 weight  0.1000E+01 volume 14.51310 ppm1 9.279 ppm2 8.753
! F3 (1H): 0.03 ppm
! F2 (X): 0.3 ppm
! F1 (1H): 0.03 ppm
!The last digit in peak ID is the spectrum number
assi (( attr rmsd < 8.383  and attr rmsd >  8.323  ) 
  and bondedto( attr rmsd <  129.805  and attr rmsd > 129.205  )) 
     ( attr rmsd < 2.579  and attr rmsd > 2.519  ) 
  6 6 0  peak  21  volume  21.04750 ppm1  8.353  ppm2  2.549
assi (( attr rmsd < 8.383  and attr rmsd >  8.323  ) 
  and bondedto( attr rmsd <  129.828  and attr rmsd > 129.228  )) 
     ( attr rmsd < 1.559  and attr rmsd > 1.499  ) 
  6 6 0  peak  31  volume  136.82590 ppm1  8.353  ppm2  1.529
assi (( attr rmsd < 9.103  and attr rmsd >  9.043  ) 
  and bondedto( attr rmsd <  128.998  and attr rmsd > 128.398  )) 
     ( attr rmsd < 0.924  and attr rmsd > 0.864  ) 
  6 6 0  peak  61  volume  58.83340 ppm1  9.073  ppm2  0.894
assi (( attr rmsd < 9.103  and attr rmsd >  9.043  ) 
  and bondedto( attr rmsd <  129.003  and attr rmsd > 128.403  )) 
     ( attr rmsd < 3.975  and attr rmsd > 3.915  ) 
  6 6 0  peak  81  volume  45.39610 ppm1  9.073  ppm2  3.945
assi (( attr rmsd < 8.578  and attr rmsd >  8.518  ) 
  and bondedto( attr rmsd <  127.541  and attr rmsd > 126.941  )) 
     ( attr rmsd < 1.876  and attr rmsd > 1.816  ) 
  6 6 0  peak  161  volume  93.86570 ppm1  8.548  ppm2  1.846
assi (( attr rmsd < 7.831  and attr rmsd >  7.771  ) 
  and bondedto( attr rmsd <  127.607  and attr rmsd > 127.007  )) 
     ( attr rmsd < 4.691  and attr rmsd > 4.631  ) 
  6 6 0  peak  201  volume  33.41210 ppm1  7.801  ppm2  4.661
assi (( attr rmsd < 9.344  and attr rmsd >  9.284  ) 
  and bondedto( attr rmsd <  126.781  and attr rmsd > 126.181  )) 
     ( attr rmsd < 0.953  and attr rmsd > 0.893  ) 
  6 6 0  peak  261  volume  63.66780 ppm1  9.314  ppm2  0.923
assi (( attr rmsd < 8.653  and attr rmsd >  8.593  ) 
  and bondedto( attr rmsd <  126.859  and attr rmsd > 126.259  )) 
     ( attr rmsd < 4.69  and attr rmsd > 4.63  ) 
  6 6 0  peak  281  volume  53.85850 ppm1  8.623  ppm2  4.660
assi (( attr rmsd < 8.653  and attr rmsd >  8.593  ) 
  and bondedto( attr rmsd <  126.886  and attr rmsd > 126.286  )) 
     ( attr rmsd < 2.124  and attr rmsd > 2.064  ) 
  6 6 0  peak  291  volume  70.66550 ppm1  8.623  ppm2  2.094
assi (( attr rmsd < 8.653  and attr rmsd >  8.593  ) 
  and bondedto( attr rmsd <  126.869  and attr rmsd > 126.269  )) 
     ( attr rmsd < 1.896  and attr rmsd > 1.836  ) 
  6 6 0  peak  301  volume  123.36350 ppm1  8.623  ppm2  1.866
assi (( attr rmsd < 9.344  and attr rmsd >  9.284  ) 
  and bondedto( attr rmsd <  126.85  and attr rmsd > 126.25  )) 
     ( attr rmsd < 8.957  and attr rmsd > 8.897  ) 
  6 6 0  peak  341  volume  88.11560 ppm1  9.314  ppm2  8.927
assi (( attr rmsd < 9.344  and attr rmsd >  9.284  ) 
  and bondedto( attr rmsd <  126.85  and attr rmsd > 126.25  )) 
     ( attr rmsd < 7.462  and attr rmsd > 7.402  ) 
  6 6 0  peak  361  volume  82.93740 ppm1  9.314  ppm2  7.432
assi (( attr rmsd < 9.344  and attr rmsd >  9.284  ) 
  and bondedto( attr rmsd <  126.85  and attr rmsd > 126.25  )) 
     ( attr rmsd < 1.063  and attr rmsd > 1.003  ) 
  6 6 0  peak  371  volume  155.69940 ppm1  9.314  ppm2  1.033
assi (( attr rmsd < 8.802  and attr rmsd >  8.742  ) 
  and bondedto( attr rmsd <  125.639  and attr rmsd > 125.039  )) 
     ( attr rmsd < 7.255  and attr rmsd > 7.195  ) 
  6 6 0  peak  421  volume  28.36280 ppm1  8.772  ppm2  7.225
assi (( attr rmsd < 8.802  and attr rmsd >  8.742  ) 
  and bondedto( attr rmsd <  125.63  and attr rmsd > 125.03  )) 
     ( attr rmsd < 6.916  and attr rmsd > 6.856  ) 
  6 6 0  peak  431  volume  28.25490 ppm1  8.772  ppm2  6.886
assi (( attr rmsd < 8.802  and attr rmsd >  8.742  ) 
  and bondedto( attr rmsd <  125.637  and attr rmsd > 125.037  )) 
     ( attr rmsd < 1.169  and attr rmsd > 1.109  ) 
  6 6 0  peak  451  volume  48.98000 ppm1  8.772  ppm2  1.139
assi (( attr rmsd < 8.802  and attr rmsd >  8.742  ) 
  and bondedto( attr rmsd <  125.619  and attr rmsd > 125.019  )) 
     ( attr rmsd < 2.523  and attr rmsd > 2.463  ) 
  6 6 0  peak  471  volume  106.66660 ppm1  8.772  ppm2  2.493
assi (( attr rmsd < 8.73  and attr rmsd >  8.67  ) 
  and bondedto( attr rmsd <  124.989  and attr rmsd > 124.389  )) 
     ( attr rmsd < 0.399  and attr rmsd > 0.339  ) 
  6 6 0  peak  591  volume  51.39440 ppm1  8.700  ppm2  0.369
assi (( attr rmsd < 8.73  and attr rmsd >  8.67  ) 
  and bondedto( attr rmsd <  124.973  and attr rmsd > 124.373  )) 
     ( attr rmsd < 0.057  and attr rmsd > -0.003  ) 
  6 6 0  peak  601  volume  67.84690 ppm1  8.700  ppm2  0.027
assi (( attr rmsd < 8.037  and attr rmsd >  7.977  ) 
  and bondedto( attr rmsd <  124.793  and attr rmsd > 124.193  )) 
     ( attr rmsd < 2.328  and attr rmsd > 2.268  ) 
  6 6 0  peak  671  volume  39.80440 ppm1  8.007  ppm2  2.298
assi (( attr rmsd < 8.037  and attr rmsd >  7.977  ) 
  and bondedto( attr rmsd <  124.775  and attr rmsd > 124.175  )) 
     ( attr rmsd < 1.262  and attr rmsd > 1.202  ) 
  6 6 0  peak  681  volume  37.06140 ppm1  8.007  ppm2  1.232
assi (( attr rmsd < 8.703  and attr rmsd >  8.643  ) 
  and bondedto( attr rmsd <  124.4  and attr rmsd > 123.8  )) 
     ( attr rmsd < 3.804  and attr rmsd > 3.744  ) 
  6 6 0  peak  701  volume  80.82500 ppm1  8.673  ppm2  3.774
assi (( attr rmsd < 8.948  and attr rmsd >  8.888  ) 
  and bondedto( attr rmsd <  124.2  and attr rmsd > 123.6  )) 
     ( attr rmsd < 1.604  and attr rmsd > 1.544  ) 
  6 6 0  peak  711  volume  120.43430 ppm1  8.918  ppm2  1.574
assi (( attr rmsd < 8.703  and attr rmsd >  8.643  ) 
  and bondedto( attr rmsd <  124.401  and attr rmsd > 123.801  )) 
     ( attr rmsd < 4.685  and attr rmsd > 4.625  ) 
  6 6 0  peak  751  volume  189.15100 ppm1  8.673  ppm2  4.655
assi (( attr rmsd < 8.703  and attr rmsd >  8.643  ) 
  and bondedto( attr rmsd <  124.434  and attr rmsd > 123.834  )) 
     ( attr rmsd < 0.854  and attr rmsd > 0.794  ) 
  6 6 0  peak  771  volume  341.38580 ppm1  8.673  ppm2  0.824
assi (( attr rmsd < 9.216  and attr rmsd >  9.156  ) 
  and bondedto( attr rmsd <  124.246  and attr rmsd > 123.646  )) 
     ( attr rmsd < 0.827  and attr rmsd > 0.767  ) 
  6 6 0  peak  791  volume  35.76050 ppm1  9.186  ppm2  0.797
assi (( attr rmsd < 8.948  and attr rmsd >  8.888  ) 
  and bondedto( attr rmsd <  124.307  and attr rmsd > 123.707  )) 
     ( attr rmsd < 2.032  and attr rmsd > 1.972  ) 
  6 6 0  peak  811  volume  152.76640 ppm1  8.918  ppm2  2.002
assi (( attr rmsd < 8.703  and attr rmsd >  8.643  ) 
  and bondedto( attr rmsd <  124.4  and attr rmsd > 123.8  )) 
     ( attr rmsd < 7.256  and attr rmsd > 7.196  ) 
  6 6 0  peak  831  volume  139.72130 ppm1  8.673  ppm2  7.226
assi (( attr rmsd < 8.703  and attr rmsd >  8.643  ) 
  and bondedto( attr rmsd <  124.4  and attr rmsd > 123.8  )) 
     ( attr rmsd < 1.58  and attr rmsd > 1.52  ) 
  6 6 0  peak  861  volume  342.03470 ppm1  8.673  ppm2  1.550
assi (( attr rmsd < 8.64  and attr rmsd >  8.58  ) 
  and bondedto( attr rmsd <  124.134  and attr rmsd > 123.534  )) 
     ( attr rmsd < 1.829  and attr rmsd > 1.769  ) 
  6 6 0  peak  911  volume  39.58420 ppm1  8.610  ppm2  1.799
assi (( attr rmsd < 8.64  and attr rmsd >  8.58  ) 
  and bondedto( attr rmsd <  124.142  and attr rmsd > 123.542  )) 
     ( attr rmsd < 0.854  and attr rmsd > 0.794  ) 
  6 6 0  peak  921  volume  68.57440 ppm1  8.610  ppm2  0.824
assi (( attr rmsd < 8.64  and attr rmsd >  8.58  ) 
  and bondedto( attr rmsd <  124.077  and attr rmsd > 123.477  )) 
     ( attr rmsd < 2.512  and attr rmsd > 2.452  ) 
  6 6 0  peak  941  volume  155.65199 ppm1  8.610  ppm2  2.482
assi (( attr rmsd < 8.337  and attr rmsd >  8.277  ) 
  and bondedto( attr rmsd <  124.069  and attr rmsd > 123.469  )) 
     ( attr rmsd < 7.51  and attr rmsd > 7.45  ) 
  6 6 0  peak  961  volume  43.89650 ppm1  8.307  ppm2  7.480
assi (( attr rmsd < 8.337  and attr rmsd >  8.277  ) 
  and bondedto( attr rmsd <  124.043  and attr rmsd > 123.443  )) 
     ( attr rmsd < 4.893  and attr rmsd > 4.833  ) 
  6 6 0  peak  971  volume  360.95151 ppm1  8.307  ppm2  4.863
assi (( attr rmsd < 8.337  and attr rmsd >  8.277  ) 
  and bondedto( attr rmsd <  124.08  and attr rmsd > 123.48  )) 
     ( attr rmsd < 3.241  and attr rmsd > 3.181  ) 
  6 6 0  peak  991  volume  44.26960 ppm1  8.307  ppm2  3.211
assi (( attr rmsd < 8.337  and attr rmsd >  8.277  ) 
  and bondedto( attr rmsd <  124.062  and attr rmsd > 123.462  )) 
     ( attr rmsd < 7.929  and attr rmsd > 7.869  ) 
  6 6 0  peak  1001  volume  33.85900 ppm1  8.307  ppm2  7.899
assi (( attr rmsd < 8.834  and attr rmsd >  8.774  ) 
  and bondedto( attr rmsd <  123.373  and attr rmsd > 122.773  )) 
     ( attr rmsd < 1.04  and attr rmsd > 0.98  ) 
  6 6 0  peak  1031  volume  61.51890 ppm1  8.804  ppm2  1.010
assi (( attr rmsd < 7.798  and attr rmsd >  7.738  ) 
  and bondedto( attr rmsd <  123.014  and attr rmsd > 122.414  )) 
     ( attr rmsd < 1.808  and attr rmsd > 1.748  ) 
  6 6 0  peak  1131  volume  148.79961 ppm1  7.768  ppm2  1.778
assi (( attr rmsd < 9.431  and attr rmsd >  9.371  ) 
  and bondedto( attr rmsd <  122.731  and attr rmsd > 122.131  )) 
     ( attr rmsd < 2.034  and attr rmsd > 1.974  ) 
  6 6 0  peak  1221  volume  77.98420 ppm1  9.401  ppm2  2.004
assi (( attr rmsd < 9.222  and attr rmsd >  9.162  ) 
  and bondedto( attr rmsd <  122.659  and attr rmsd > 122.059  )) 
     ( attr rmsd < 1.103  and attr rmsd > 1.043  ) 
  6 6 0  peak  1231  volume  25.81600 ppm1  9.192  ppm2  1.073
assi (( attr rmsd < 8.956  and attr rmsd >  8.896  ) 
  and bondedto( attr rmsd <  122.678  and attr rmsd > 122.078  )) 
     ( attr rmsd < 3.789  and attr rmsd > 3.729  ) 
  6 6 0  peak  1281  volume  32.09440 ppm1  8.926  ppm2  3.759
assi (( attr rmsd < 8.956  and attr rmsd >  8.896  ) 
  and bondedto( attr rmsd <  122.612  and attr rmsd > 122.012  )) 
     ( attr rmsd < 2.517  and attr rmsd > 2.457  ) 
  6 6 0  peak  1291  volume  61.87190 ppm1  8.926  ppm2  2.487
assi (( attr rmsd < 8.179  and attr rmsd >  8.119  ) 
  and bondedto( attr rmsd <  122.388  and attr rmsd > 121.788  )) 
     ( attr rmsd < 1.081  and attr rmsd > 1.021  ) 
  6 6 0  peak  1521  volume  48.28240 ppm1  8.149  ppm2  1.051
assi (( attr rmsd < 8.019  and attr rmsd >  7.959  ) 
  and bondedto( attr rmsd <  121.937  and attr rmsd > 121.337  )) 
     ( attr rmsd < 4.667  and attr rmsd > 4.607  ) 
  6 6 0  peak  1531  volume  30.91110 ppm1  7.989  ppm2  4.637
assi (( attr rmsd < 8.351  and attr rmsd >  8.291  ) 
  and bondedto( attr rmsd <  121.767  and attr rmsd > 121.167  )) 
     ( attr rmsd < 0.377  and attr rmsd > 0.317  ) 
  6 6 0  peak  1561  volume  126.08660 ppm1  8.321  ppm2  0.347
assi (( attr rmsd < 8.351  and attr rmsd >  8.291  ) 
  and bondedto( attr rmsd <  121.819  and attr rmsd > 121.219  )) 
     ( attr rmsd < 0.059  and attr rmsd > -0.001  ) 
  6 6 0  peak  1571  volume  29.74530 ppm1  8.321  ppm2  0.029
assi (( attr rmsd < 8.351  and attr rmsd >  8.291  ) 
  and bondedto( attr rmsd <  121.763  and attr rmsd > 121.163  )) 
     ( attr rmsd < 5.349  and attr rmsd > 5.289  ) 
  6 6 0  peak  1581  volume  37.11920 ppm1  8.321  ppm2  5.319
assi (( attr rmsd < 9.477  and attr rmsd >  9.417  ) 
  and bondedto( attr rmsd <  121.547  and attr rmsd > 120.947  )) 
     ( attr rmsd < 1.827  and attr rmsd > 1.767  ) 
  6 6 0  peak  1621  volume  33.16280 ppm1  9.447  ppm2  1.797
assi (( attr rmsd < 8.383  and attr rmsd >  8.323  ) 
  and bondedto( attr rmsd <  121.478  and attr rmsd > 120.878  )) 
     ( attr rmsd < 3.964  and attr rmsd > 3.904  ) 
  6 6 0  peak  1691  volume  37.68730 ppm1  8.353  ppm2  3.934
assi (( attr rmsd < 8.383  and attr rmsd >  8.323  ) 
  and bondedto( attr rmsd <  121.503  and attr rmsd > 120.903  )) 
     ( attr rmsd < 1.349  and attr rmsd > 1.289  ) 
  6 6 0  peak  1721  volume  259.26410 ppm1  8.353  ppm2  1.319
assi (( attr rmsd < 8.383  and attr rmsd >  8.323  ) 
  and bondedto( attr rmsd <  121.498  and attr rmsd > 120.898  )) 
     ( attr rmsd < 0.943  and attr rmsd > 0.883  ) 
  6 6 0  peak  1731  volume  196.38860 ppm1  8.353  ppm2  0.913
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  121.262  and attr rmsd > 120.662  )) 
     ( attr rmsd < 1.466  and attr rmsd > 1.406  ) 
  6 6 0  peak  1761  volume  44.20150 ppm1  8.117  ppm2  1.436
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  121.288  and attr rmsd > 120.688  )) 
     ( attr rmsd < 0.626  and attr rmsd > 0.566  ) 
  6 6 0  peak  1771  volume  81.26560 ppm1  8.117  ppm2  0.596
assi (( attr rmsd < 8.148  and attr rmsd >  8.088  ) 
  and bondedto( attr rmsd <  121.283  and attr rmsd > 120.683  )) 
     ( attr rmsd < 5.101  and attr rmsd > 5.041  ) 
  6 6 0  peak  1791  volume  261.02380 ppm1  8.118  ppm2  5.071
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  121.26  and attr rmsd > 120.66  )) 
     ( attr rmsd < 2.243  and attr rmsd > 2.183  ) 
  6 6 0  peak  1811  volume  33.45860 ppm1  8.117  ppm2  2.213
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  121.262  and attr rmsd > 120.662  )) 
     ( attr rmsd < 1.761  and attr rmsd > 1.701  ) 
  6 6 0  peak  1821  volume  39.89450 ppm1  8.117  ppm2  1.731
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  121.267  and attr rmsd > 120.667  )) 
     ( attr rmsd < 0.85  and attr rmsd > 0.79  ) 
  6 6 0  peak  1831  volume  81.72860 ppm1  8.117  ppm2  0.820
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  121.272  and attr rmsd > 120.672  )) 
     ( attr rmsd < 1.102  and attr rmsd > 1.042  ) 
  6 6 0  peak  1841  volume  252.54021 ppm1  8.117  ppm2  1.072
assi (( attr rmsd < 7.7  and attr rmsd >  7.64  ) 
  and bondedto( attr rmsd <  121.256  and attr rmsd > 120.656  )) 
     ( attr rmsd < 5.068  and attr rmsd > 5.008  ) 
  6 6 0  peak  1861  volume  24.36430 ppm1  7.670  ppm2  5.038
assi (( attr rmsd < 7.7  and attr rmsd >  7.64  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 5.655  and attr rmsd > 5.595  ) 
  6 6 0  peak  1881  volume  320.83389 ppm1  7.670  ppm2  5.625
assi (( attr rmsd < 7.7  and attr rmsd >  7.64  ) 
  and bondedto( attr rmsd <  121.265  and attr rmsd > 120.665  )) 
     ( attr rmsd < 3.837  and attr rmsd > 3.777  ) 
  6 6 0  peak  1911  volume  75.07480 ppm1  7.670  ppm2  3.807
assi (( attr rmsd < 7.7  and attr rmsd >  7.64  ) 
  and bondedto( attr rmsd <  121.293  and attr rmsd > 120.693  )) 
     ( attr rmsd < 3.603  and attr rmsd > 3.543  ) 
  6 6 0  peak  1921  volume  106.51340 ppm1  7.670  ppm2  3.573
assi (( attr rmsd < 7.7  and attr rmsd >  7.64  ) 
  and bondedto( attr rmsd <  121.248  and attr rmsd > 120.648  )) 
     ( attr rmsd < 1.441  and attr rmsd > 1.381  ) 
  6 6 0  peak  1941  volume  35.11900 ppm1  7.670  ppm2  1.411
assi (( attr rmsd < 7.7  and attr rmsd >  7.64  ) 
  and bondedto( attr rmsd <  121.309  and attr rmsd > 120.709  )) 
     ( attr rmsd < 7.243  and attr rmsd > 7.183  ) 
  6 6 0  peak  1961  volume  23.14730 ppm1  7.670  ppm2  7.213
assi (( attr rmsd < 7.643  and attr rmsd >  7.583  ) 
  and bondedto( attr rmsd <  121.224  and attr rmsd > 120.624  )) 
     ( attr rmsd < 4.243  and attr rmsd > 4.183  ) 
  6 6 0  peak  1971  volume  15.71170 ppm1  7.613  ppm2  4.213
assi (( attr rmsd < 7.433  and attr rmsd >  7.373  ) 
  and bondedto( attr rmsd <  121.142  and attr rmsd > 120.542  )) 
     ( attr rmsd < 0.06  and attr rmsd > 0  ) 
  6 6 0  peak  2201  volume  62.04980 ppm1  7.403  ppm2  0.030
assi (( attr rmsd < 10.677  and attr rmsd >  10.617  ) 
  and bondedto( attr rmsd <  120.961  and attr rmsd > 120.361  )) 
     ( attr rmsd < -0.942  and attr rmsd > -1.002  ) 
  6 6 0  peak  2241  volume  245.04590 ppm1  10.647  ppm2  -0.972
assi (( attr rmsd < 9.441  and attr rmsd >  9.381  ) 
  and bondedto( attr rmsd <  120.558  and attr rmsd > 119.958  )) 
     ( attr rmsd < 7.187  and attr rmsd > 7.127  ) 
  6 6 0  peak  2351  volume  42.22320 ppm1  9.411  ppm2  7.157
assi (( attr rmsd < 9.441  and attr rmsd >  9.381  ) 
  and bondedto( attr rmsd <  120.535  and attr rmsd > 119.935  )) 
     ( attr rmsd < 5.416  and attr rmsd > 5.356  ) 
  6 6 0  peak  2361  volume  96.47200 ppm1  9.411  ppm2  5.386
assi (( attr rmsd < 9.441  and attr rmsd >  9.381  ) 
  and bondedto( attr rmsd <  120.544  and attr rmsd > 119.944  )) 
     ( attr rmsd < 3.507  and attr rmsd > 3.447  ) 
  6 6 0  peak  2381  volume  180.39461 ppm1  9.411  ppm2  3.477
assi (( attr rmsd < 8.653  and attr rmsd >  8.593  ) 
  and bondedto( attr rmsd <  120.406  and attr rmsd > 119.806  )) 
     ( attr rmsd < 1.577  and attr rmsd > 1.517  ) 
  6 6 0  peak  2401  volume  107.88830 ppm1  8.623  ppm2  1.547
assi (( attr rmsd < 8.364  and attr rmsd >  8.304  ) 
  and bondedto( attr rmsd <  119.56  and attr rmsd > 118.96  )) 
     ( attr rmsd < 1.581  and attr rmsd > 1.521  ) 
  6 6 0  peak  2511  volume  81.98710 ppm1  8.334  ppm2  1.551
assi (( attr rmsd < 8.364  and attr rmsd >  8.304  ) 
  and bondedto( attr rmsd <  119.56  and attr rmsd > 118.96  )) 
     ( attr rmsd < 0.399  and attr rmsd > 0.339  ) 
  6 6 0  peak  2521  volume  82.17260 ppm1  8.334  ppm2  0.369
assi (( attr rmsd < 9.531  and attr rmsd >  9.471  ) 
  and bondedto( attr rmsd <  119.57  and attr rmsd > 118.97  )) 
     ( attr rmsd < 7.745  and attr rmsd > 7.685  ) 
  6 6 0  peak  2551  volume  113.18700 ppm1  9.501  ppm2  7.715
assi (( attr rmsd < 8.364  and attr rmsd >  8.304  ) 
  and bondedto( attr rmsd <  119.539  and attr rmsd > 118.939  )) 
     ( attr rmsd < 2.008  and attr rmsd > 1.948  ) 
  6 6 0  peak  2621  volume  33.08940 ppm1  8.334  ppm2  1.978
assi (( attr rmsd < 8.422  and attr rmsd >  8.362  ) 
  and bondedto( attr rmsd <  119.189  and attr rmsd > 118.589  )) 
     ( attr rmsd < 7.538  and attr rmsd > 7.478  ) 
  6 6 0  peak  2651  volume  101.25730 ppm1  8.392  ppm2  7.508
assi (( attr rmsd < 8.454  and attr rmsd >  8.394  ) 
  and bondedto( attr rmsd <  119.213  and attr rmsd > 118.613  )) 
     ( attr rmsd < 3.078  and attr rmsd > 3.018  ) 
  6 6 0  peak  2661  volume  30.92100 ppm1  8.424  ppm2  3.048
assi (( attr rmsd < 8.422  and attr rmsd >  8.362  ) 
  and bondedto( attr rmsd <  119.169  and attr rmsd > 118.569  )) 
     ( attr rmsd < -0.966  and attr rmsd > -1.026  ) 
  6 6 0  peak  2681  volume  38.23190 ppm1  8.392  ppm2  -0.996
assi (( attr rmsd < 8.424  and attr rmsd >  8.364  ) 
  and bondedto( attr rmsd <  118.868  and attr rmsd > 118.268  )) 
     ( attr rmsd < 1.874  and attr rmsd > 1.814  ) 
  6 6 0  peak  2691  volume  208.36790 ppm1  8.394  ppm2  1.844
assi (( attr rmsd < 8.424  and attr rmsd >  8.364  ) 
  and bondedto( attr rmsd <  118.868  and attr rmsd > 118.268  )) 
     ( attr rmsd < 1.553  and attr rmsd > 1.493  ) 
  6 6 0  peak  2701  volume  26.98200 ppm1  8.394  ppm2  1.523
assi (( attr rmsd < 7.031  and attr rmsd >  6.971  ) 
  and bondedto( attr rmsd <  117.944  and attr rmsd > 117.344  )) 
     ( attr rmsd < 1.444  and attr rmsd > 1.384  ) 
  6 6 0  peak  2771  volume  180.20711 ppm1  7.001  ppm2  1.414
assi (( attr rmsd < 7.031  and attr rmsd >  6.971  ) 
  and bondedto( attr rmsd <  117.973  and attr rmsd > 117.373  )) 
     ( attr rmsd < 1.292  and attr rmsd > 1.232  ) 
  6 6 0  peak  2781  volume  76.12580 ppm1  7.001  ppm2  1.262
assi (( attr rmsd < 7.031  and attr rmsd >  6.971  ) 
  and bondedto( attr rmsd <  117.919  and attr rmsd > 117.319  )) 
     ( attr rmsd < 9.276  and attr rmsd > 9.216  ) 
  6 6 0  peak  2791  volume  81.71810 ppm1  7.001  ppm2  9.246
assi (( attr rmsd < 9.059  and attr rmsd >  8.999  ) 
  and bondedto( attr rmsd <  117.799  and attr rmsd > 117.199  )) 
     ( attr rmsd < 0.513  and attr rmsd > 0.453  ) 
  6 6 0  peak  2821  volume  35.32130 ppm1  9.029  ppm2  0.483
assi (( attr rmsd < 7.031  and attr rmsd >  6.971  ) 
  and bondedto( attr rmsd <  118  and attr rmsd > 117.4  )) 
     ( attr rmsd < 0.411  and attr rmsd > 0.351  ) 
  6 6 0  peak  2861  volume  213.10820 ppm1  7.001  ppm2  0.381
assi (( attr rmsd < 7.856  and attr rmsd >  7.796  ) 
  and bondedto( attr rmsd <  117.664  and attr rmsd > 117.064  )) 
     ( attr rmsd < 0.852  and attr rmsd > 0.792  ) 
  6 6 0  peak  2871  volume  38.82030 ppm1  7.826  ppm2  0.822
assi (( attr rmsd < 7.953  and attr rmsd >  7.893  ) 
  and bondedto( attr rmsd <  117.3  and attr rmsd > 116.7  )) 
     ( attr rmsd < 5.655  and attr rmsd > 5.595  ) 
  6 6 0  peak  2961  volume  110.27090 ppm1  7.923  ppm2  5.625
assi (( attr rmsd < 7.953  and attr rmsd >  7.893  ) 
  and bondedto( attr rmsd <  117.3  and attr rmsd > 116.7  )) 
     ( attr rmsd < 1.761  and attr rmsd > 1.701  ) 
  6 6 0  peak  2991  volume  148.99770 ppm1  7.923  ppm2  1.731
assi (( attr rmsd < 7.953  and attr rmsd >  7.893  ) 
  and bondedto( attr rmsd <  117.3  and attr rmsd > 116.7  )) 
     ( attr rmsd < 8.936  and attr rmsd > 8.876  ) 
  6 6 0  peak  3001  volume  41.80530 ppm1  7.923  ppm2  8.906
assi (( attr rmsd < 7.953  and attr rmsd >  7.893  ) 
  and bondedto( attr rmsd <  117.3  and attr rmsd > 116.7  )) 
     ( attr rmsd < 1.216  and attr rmsd > 1.156  ) 
  6 6 0  peak  3011  volume  94.61870 ppm1  7.923  ppm2  1.186
assi (( attr rmsd < 7.953  and attr rmsd >  7.893  ) 
  and bondedto( attr rmsd <  117.13  and attr rmsd > 116.53  )) 
     ( attr rmsd < 1.059  and attr rmsd > 0.999  ) 
  6 6 0  peak  3021  volume  111.87490 ppm1  7.923  ppm2  1.029
assi (( attr rmsd < 6.797  and attr rmsd >  6.737  ) 
  and bondedto( attr rmsd <  117.342  and attr rmsd > 116.742  )) 
     ( attr rmsd < 1.534  and attr rmsd > 1.474  ) 
  6 6 0  peak  3061  volume  187.12770 ppm1  6.767  ppm2  1.504
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  117.085  and attr rmsd > 116.485  )) 
     ( attr rmsd < 7.483  and attr rmsd > 7.423  ) 
  6 6 0  peak  3131  volume  68.59290 ppm1  7.687  ppm2  7.453
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  117.09  and attr rmsd > 116.49  )) 
     ( attr rmsd < 2.124  and attr rmsd > 2.064  ) 
  6 6 0  peak  3141  volume  306.21710 ppm1  7.687  ppm2  2.094
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  117.072  and attr rmsd > 116.472  )) 
     ( attr rmsd < 1.936  and attr rmsd > 1.876  ) 
  6 6 0  peak  3151  volume  125.06390 ppm1  7.687  ppm2  1.906
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  117.084  and attr rmsd > 116.484  )) 
     ( attr rmsd < 1.484  and attr rmsd > 1.424  ) 
  6 6 0  peak  3171  volume  59.34440 ppm1  7.687  ppm2  1.454
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  117.09  and attr rmsd > 116.49  )) 
     ( attr rmsd < 1.279  and attr rmsd > 1.219  ) 
  6 6 0  peak  3181  volume  55.21900 ppm1  7.687  ppm2  1.249
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  117.08  and attr rmsd > 116.48  )) 
     ( attr rmsd < 0.56  and attr rmsd > 0.5  ) 
  6 6 0  peak  3191  volume  64.86570 ppm1  7.687  ppm2  0.530
assi (( attr rmsd < 8.786  and attr rmsd >  8.726  ) 
  and bondedto( attr rmsd <  116.888  and attr rmsd > 116.288  )) 
     ( attr rmsd < 4.699  and attr rmsd > 4.639  ) 
  6 6 0  peak  3211  volume  49.19080 ppm1  8.756  ppm2  4.669
assi (( attr rmsd < 8.786  and attr rmsd >  8.726  ) 
  and bondedto( attr rmsd <  116.904  and attr rmsd > 116.304  )) 
     ( attr rmsd < 2.782  and attr rmsd > 2.722  ) 
  6 6 0  peak  3221  volume  35.70130 ppm1  8.756  ppm2  2.752
assi (( attr rmsd < 8.786  and attr rmsd >  8.726  ) 
  and bondedto( attr rmsd <  116.91  and attr rmsd > 116.31  )) 
     ( attr rmsd < 3.123  and attr rmsd > 3.063  ) 
  6 6 0  peak  3231  volume  18.93440 ppm1  8.756  ppm2  3.093
assi (( attr rmsd < 9.199  and attr rmsd >  9.139  ) 
  and bondedto( attr rmsd <  116.375  and attr rmsd > 115.775  )) 
     ( attr rmsd < 3.758  and attr rmsd > 3.698  ) 
  6 6 0  peak  3331  volume  40.84850 ppm1  9.169  ppm2  3.728
assi (( attr rmsd < 7.669  and attr rmsd >  7.609  ) 
  and bondedto( attr rmsd <  116.252  and attr rmsd > 115.652  )) 
     ( attr rmsd < 1.643  and attr rmsd > 1.583  ) 
  6 6 0  peak  3421  volume  47.40580 ppm1  7.639  ppm2  1.613
assi (( attr rmsd < 7.669  and attr rmsd >  7.609  ) 
  and bondedto( attr rmsd <  116.241  and attr rmsd > 115.641  )) 
     ( attr rmsd < 1.472  and attr rmsd > 1.412  ) 
  6 6 0  peak  3431  volume  139.52840 ppm1  7.639  ppm2  1.442
assi (( attr rmsd < 7.669  and attr rmsd >  7.609  ) 
  and bondedto( attr rmsd <  116.272  and attr rmsd > 115.672  )) 
     ( attr rmsd < 0.493  and attr rmsd > 0.433  ) 
  6 6 0  peak  3441  volume  41.86980 ppm1  7.639  ppm2  0.463
assi (( attr rmsd < 8.597  and attr rmsd >  8.537  ) 
  and bondedto( attr rmsd <  116.14  and attr rmsd > 115.54  )) 
     ( attr rmsd < 4.709  and attr rmsd > 4.649  ) 
  6 6 0  peak  3461  volume  67.14610 ppm1  8.567  ppm2  4.679
assi (( attr rmsd < 8.253  and attr rmsd >  8.193  ) 
  and bondedto( attr rmsd <  116.035  and attr rmsd > 115.435  )) 
     ( attr rmsd < 2.692  and attr rmsd > 2.632  ) 
  6 6 0  peak  3521  volume  109.68620 ppm1  8.223  ppm2  2.662
assi (( attr rmsd < 8.253  and attr rmsd >  8.193  ) 
  and bondedto( attr rmsd <  116.092  and attr rmsd > 115.492  )) 
     ( attr rmsd < 2.533  and attr rmsd > 2.473  ) 
  6 6 0  peak  3531  volume  67.19850 ppm1  8.223  ppm2  2.503
assi (( attr rmsd < 8.165  and attr rmsd >  8.105  ) 
  and bondedto( attr rmsd <  116.3  and attr rmsd > 115.7  )) 
     ( attr rmsd < 1.966  and attr rmsd > 1.906  ) 
  6 6 0  peak  3581  volume  24.42470 ppm1  8.135  ppm2  1.936
assi (( attr rmsd < 8.165  and attr rmsd >  8.105  ) 
  and bondedto( attr rmsd <  116.3  and attr rmsd > 115.7  )) 
     ( attr rmsd < 1.533  and attr rmsd > 1.473  ) 
  6 6 0  peak  3601  volume  27.64520 ppm1  8.135  ppm2  1.503
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  115.206  and attr rmsd > 114.606  )) 
     ( attr rmsd < 4.689  and attr rmsd > 4.629  ) 
  6 6 0  peak  3691  volume  206.22540 ppm1  7.687  ppm2  4.659
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  115.235  and attr rmsd > 114.635  )) 
     ( attr rmsd < 1.761  and attr rmsd > 1.701  ) 
  6 6 0  peak  3711  volume  474.55481 ppm1  7.687  ppm2  1.731
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  115.215  and attr rmsd > 114.615  )) 
     ( attr rmsd < 1.214  and attr rmsd > 1.154  ) 
  6 6 0  peak  3721  volume  88.52400 ppm1  7.687  ppm2  1.184
assi (( attr rmsd < 6.561  and attr rmsd >  6.501  ) 
  and bondedto( attr rmsd <  114.563  and attr rmsd > 113.963  )) 
     ( attr rmsd < -0.214  and attr rmsd > -0.274  ) 
  6 6 0  peak  3811  volume  38.79340 ppm1  6.531  ppm2  -0.244
assi (( attr rmsd < 6.561  and attr rmsd >  6.501  ) 
  and bondedto( attr rmsd <  114.585  and attr rmsd > 113.985  )) 
     ( attr rmsd < 0.412  and attr rmsd > 0.352  ) 
  6 6 0  peak  3851  volume  43.30400 ppm1  6.531  ppm2  0.382
assi (( attr rmsd < 8.27  and attr rmsd >  8.21  ) 
  and bondedto( attr rmsd <  114.054  and attr rmsd > 113.454  )) 
     ( attr rmsd < 0.034  and attr rmsd > -0.026  ) 
  6 6 0  peak  3971  volume  33.94320 ppm1  8.240  ppm2  0.004
assi (( attr rmsd < 8.27  and attr rmsd >  8.21  ) 
  and bondedto( attr rmsd <  114.042  and attr rmsd > 113.442  )) 
     ( attr rmsd < 4.963  and attr rmsd > 4.903  ) 
  6 6 0  peak  4031  volume  26.30220 ppm1  8.240  ppm2  4.933
assi (( attr rmsd < 7.725  and attr rmsd >  7.665  ) 
  and bondedto( attr rmsd <  113.165  and attr rmsd > 112.565  )) 
     ( attr rmsd < 1.851  and attr rmsd > 1.791  ) 
  6 6 0  peak  4231  volume  37.06040 ppm1  7.695  ppm2  1.821
assi (( attr rmsd < 8.418  and attr rmsd >  8.358  ) 
  and bondedto( attr rmsd <  112.923  and attr rmsd > 112.323  )) 
     ( attr rmsd < 1.497  and attr rmsd > 1.437  ) 
  6 6 0  peak  4251  volume  48.62030 ppm1  8.388  ppm2  1.467
assi (( attr rmsd < 9.181  and attr rmsd >  9.121  ) 
  and bondedto( attr rmsd <  112.436  and attr rmsd > 111.836  )) 
     ( attr rmsd < 2.24  and attr rmsd > 2.18  ) 
  6 6 0  peak  4311  volume  31.44990 ppm1  9.151  ppm2  2.210
assi (( attr rmsd < 9.181  and attr rmsd >  9.121  ) 
  and bondedto( attr rmsd <  112.417  and attr rmsd > 111.817  )) 
     ( attr rmsd < 0.677  and attr rmsd > 0.617  ) 
  6 6 0  peak  4331  volume  33.40230 ppm1  9.151  ppm2  0.647
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  112.3  and attr rmsd > 111.7  )) 
     ( attr rmsd < 1.013  and attr rmsd > 0.953  ) 
  6 6 0  peak  4381  volume  183.08630 ppm1  8.117  ppm2  0.983
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  112.3  and attr rmsd > 111.7  )) 
     ( attr rmsd < 0.6  and attr rmsd > 0.54  ) 
  6 6 0  peak  4391  volume  278.49161 ppm1  8.117  ppm2  0.570
assi (( attr rmsd < 6.496  and attr rmsd >  6.436  ) 
  and bondedto( attr rmsd <  111.155  and attr rmsd > 110.555  )) 
     ( attr rmsd < 1.693  and attr rmsd > 1.633  ) 
  6 6 0  peak  4401  volume  122.39810 ppm1  6.466  ppm2  1.663
assi (( attr rmsd < 6.496  and attr rmsd >  6.436  ) 
  and bondedto( attr rmsd <  111.175  and attr rmsd > 110.575  )) 
     ( attr rmsd < 4.69  and attr rmsd > 4.63  ) 
  6 6 0  peak  4421  volume  41.98080 ppm1  6.466  ppm2  4.660
assi (( attr rmsd < 6.496  and attr rmsd >  6.436  ) 
  and bondedto( attr rmsd <  111.23  and attr rmsd > 110.63  )) 
     ( attr rmsd < 8.436  and attr rmsd > 8.376  ) 
  6 6 0  peak  4461  volume  77.06890 ppm1  6.466  ppm2  8.406
assi (( attr rmsd < 8.004  and attr rmsd >  7.944  ) 
  and bondedto( attr rmsd <  110.7  and attr rmsd > 110.1  )) 
     ( attr rmsd < 3.894  and attr rmsd > 3.834  ) 
  6 6 0  peak  4491  volume  88.69420 ppm1  7.974  ppm2  3.864
assi (( attr rmsd < 8.961  and attr rmsd >  8.901  ) 
  and bondedto( attr rmsd <  109.615  and attr rmsd > 109.015  )) 
     ( attr rmsd < 1.784  and attr rmsd > 1.724  ) 
  6 6 0  peak  4501  volume  78.44900 ppm1  8.931  ppm2  1.754
assi (( attr rmsd < 8.947  and attr rmsd >  8.887  ) 
  and bondedto( attr rmsd <  109.363  and attr rmsd > 108.763  )) 
     ( attr rmsd < 2.288  and attr rmsd > 2.228  ) 
  6 6 0  peak  4551  volume  217.97549 ppm1  8.917  ppm2  2.258
assi (( attr rmsd < 8.947  and attr rmsd >  8.887  ) 
  and bondedto( attr rmsd <  109.363  and attr rmsd > 108.763  )) 
     ( attr rmsd < 2.057  and attr rmsd > 1.997  ) 
  6 6 0  peak  4581  volume  66.54480 ppm1  8.917  ppm2  2.027
assi (( attr rmsd < 8.947  and attr rmsd >  8.887  ) 
  and bondedto( attr rmsd <  109.342  and attr rmsd > 108.742  )) 
     ( attr rmsd < 1.079  and attr rmsd > 1.019  ) 
  6 6 0  peak  4601  volume  151.59599 ppm1  8.917  ppm2  1.049
assi (( attr rmsd < 7.537  and attr rmsd >  7.477  ) 
  and bondedto( attr rmsd <  109.3  and attr rmsd > 108.7  )) 
     ( attr rmsd < 3.331  and attr rmsd > 3.271  ) 
  6 6 0  peak  4651  volume  22.57150 ppm1  7.507  ppm2  3.301
assi (( attr rmsd < 9.441  and attr rmsd >  9.381  ) 
  and bondedto( attr rmsd <  120.604  and attr rmsd > 120.004  )) 
     ( attr rmsd < 0.469  and attr rmsd > 0.409  ) 
  6 6 0  peak  4711  volume  40.08440 ppm1  9.411  ppm2  0.439
assi (( attr rmsd < 9.103  and attr rmsd >  9.043  ) 
  and bondedto( attr rmsd <  128.936  and attr rmsd > 128.336  )) 
     ( attr rmsd < 7.268  and attr rmsd > 7.208  ) 
  6 6 0  peak  4771  volume  47.30470 ppm1  9.073  ppm2  7.238
assi (( attr rmsd < 7.669  and attr rmsd >  7.609  ) 
  and bondedto( attr rmsd <  116.264  and attr rmsd > 115.664  )) 
     ( attr rmsd < 5.191  and attr rmsd > 5.131  ) 
  6 6 0  peak  4841  volume  112.86690 ppm1  7.639  ppm2  5.161
assi (( attr rmsd < 8.575  and attr rmsd >  8.515  ) 
  and bondedto( attr rmsd <  128.068  and attr rmsd > 127.468  )) 
     ( attr rmsd < 0.316  and attr rmsd > 0.256  ) 
  6 6 0  peak  4871  volume  24.36270 ppm1  8.545  ppm2  0.286
assi (( attr rmsd < 10.677  and attr rmsd >  10.617  ) 
  and bondedto( attr rmsd <  120.951  and attr rmsd > 120.351  )) 
     ( attr rmsd < 7.936  and attr rmsd > 7.876  ) 
  6 6 0  peak  4891  volume  12.09730 ppm1  10.647  ppm2  7.906
assi (( attr rmsd < 8.422  and attr rmsd >  8.362  ) 
  and bondedto( attr rmsd <  119.215  and attr rmsd > 118.615  )) 
     ( attr rmsd < 3.143  and attr rmsd > 3.083  ) 
  6 6 0  peak  4931  volume  64.33010 ppm1  8.392  ppm2  3.113
assi (( attr rmsd < 7.4  and attr rmsd >  7.34  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 0.079  and attr rmsd > 0.019  ) 
  6 6 0  peak  4951  volume  71.08080 ppm1  7.370  ppm2  0.049
assi (( attr rmsd < 8.745  and attr rmsd >  8.685  ) 
  and bondedto( attr rmsd <  114.181  and attr rmsd > 113.581  )) 
     ( attr rmsd < 8.931  and attr rmsd > 8.871  ) 
  6 6 0  peak  4961  volume  95.93790 ppm1  8.715  ppm2  8.901
assi (( attr rmsd < 8.745  and attr rmsd >  8.685  ) 
  and bondedto( attr rmsd <  114.181  and attr rmsd > 113.581  )) 
     ( attr rmsd < 5.485  and attr rmsd > 5.425  ) 
  6 6 0  peak  4971  volume  45.26830 ppm1  8.715  ppm2  5.455
assi (( attr rmsd < 8.773  and attr rmsd >  8.713  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 0.9  and attr rmsd > 0.84  ) 
  6 6 0  peak  4981  volume  45.83110 ppm1  8.743  ppm2  0.870
assi (( attr rmsd < 8.773  and attr rmsd >  8.713  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 2.259  and attr rmsd > 2.199  ) 
  6 6 0  peak  4991  volume  30.81170 ppm1  8.743  ppm2  2.229
assi (( attr rmsd < 8.012  and attr rmsd >  7.952  ) 
  and bondedto( attr rmsd <  127.2  and attr rmsd > 126.6  )) 
     ( attr rmsd < 1.841  and attr rmsd > 1.781  ) 
  6 6 0  peak  5001  volume  38.58090 ppm1  7.982  ppm2  1.811
assi (( attr rmsd < 7.953  and attr rmsd >  7.893  ) 
  and bondedto( attr rmsd <  117.306  and attr rmsd > 116.706  )) 
     ( attr rmsd < 4.537  and attr rmsd > 4.477  ) 
  6 6 0  peak  5011  volume  67.71280 ppm1  7.923  ppm2  4.507
assi (( attr rmsd < 9.254  and attr rmsd >  9.194  ) 
  and bondedto( attr rmsd <  116.3  and attr rmsd > 115.7  )) 
     ( attr rmsd < 0.875  and attr rmsd > 0.815  ) 
  6 6 0  peak  5041  volume  185.04520 ppm1  9.224  ppm2  0.845
assi (( attr rmsd < 9.13  and attr rmsd >  9.07  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 5.257  and attr rmsd > 5.197  ) 
  6 6 0  peak  5061  volume  30.65900 ppm1  9.100  ppm2  5.227
assi (( attr rmsd < 9.13  and attr rmsd >  9.07  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 0.376  and attr rmsd > 0.316  ) 
  6 6 0  peak  5071  volume  12.09130 ppm1  9.100  ppm2  0.346
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  115.223  and attr rmsd > 114.623  )) 
     ( attr rmsd < 1.609  and attr rmsd > 1.549  ) 
  6 6 0  peak  5121  volume  428.38669 ppm1  7.687  ppm2  1.579
assi (( attr rmsd < 8.351  and attr rmsd >  8.291  ) 
  and bondedto( attr rmsd <  121.819  and attr rmsd > 121.219  )) 
     ( attr rmsd < 2.101  and attr rmsd > 2.041  ) 
  6 6 0  peak  5131  volume  49.26160 ppm1  8.321  ppm2  2.071
assi (( attr rmsd < 9.181  and attr rmsd >  9.121  ) 
  and bondedto( attr rmsd <  112.445  and attr rmsd > 111.845  )) 
     ( attr rmsd < 1.445  and attr rmsd > 1.385  ) 
  6 6 0  peak  5161  volume  47.51070 ppm1  9.151  ppm2  1.415
assi (( attr rmsd < 8.66  and attr rmsd >  8.6  ) 
  and bondedto( attr rmsd <  113.313  and attr rmsd > 112.713  )) 
     ( attr rmsd < 1.69  and attr rmsd > 1.63  ) 
  6 6 0  peak  5231  volume  35.01180 ppm1  8.630  ppm2  1.660
assi (( attr rmsd < 8.66  and attr rmsd >  8.6  ) 
  and bondedto( attr rmsd <  113.313  and attr rmsd > 112.713  )) 
     ( attr rmsd < 3.554  and attr rmsd > 3.494  ) 
  6 6 0  peak  5241  volume  44.76490 ppm1  8.630  ppm2  3.524
assi (( attr rmsd < 8.961  and attr rmsd >  8.901  ) 
  and bondedto( attr rmsd <  109.668  and attr rmsd > 109.068  )) 
     ( attr rmsd < 2.229  and attr rmsd > 2.169  ) 
  6 6 0  peak  5311  volume  99.45950 ppm1  8.931  ppm2  2.199
assi (( attr rmsd < 8.961  and attr rmsd >  8.901  ) 
  and bondedto( attr rmsd <  109.668  and attr rmsd > 109.068  )) 
     ( attr rmsd < 2.525  and attr rmsd > 2.465  ) 
  6 6 0  peak  5321  volume  57.88540 ppm1  8.931  ppm2  2.495
assi (( attr rmsd < 7.725  and attr rmsd >  7.665  ) 
  and bondedto( attr rmsd <  113.14  and attr rmsd > 112.54  )) 
     ( attr rmsd < 2.532  and attr rmsd > 2.472  ) 
  6 6 0  peak  5371  volume  46.85420 ppm1  7.695  ppm2  2.502
assi (( attr rmsd < 7.725  and attr rmsd >  7.665  ) 
  and bondedto( attr rmsd <  113.14  and attr rmsd > 112.54  )) 
     ( attr rmsd < 9.559  and attr rmsd > 9.499  ) 
  6 6 0  peak  5381  volume  28.31060 ppm1  7.695  ppm2  9.529
assi (( attr rmsd < 9.449  and attr rmsd >  9.389  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 2.984  and attr rmsd > 2.924  ) 
  6 6 0  peak  5531  volume  64.58630 ppm1  9.419  ppm2  2.954
assi (( attr rmsd < 8.61  and attr rmsd >  8.55  ) 
  and bondedto( attr rmsd <  122.834  and attr rmsd > 122.234  )) 
     ( attr rmsd < 7.282  and attr rmsd > 7.222  ) 
  6 6 0  peak  5551  volume  107.89980 ppm1  8.580  ppm2  7.252
assi (( attr rmsd < 8.253  and attr rmsd >  8.193  ) 
  and bondedto( attr rmsd <  116.091  and attr rmsd > 115.491  )) 
     ( attr rmsd < 7.053  and attr rmsd > 6.993  ) 
  6 6 0  peak  5571  volume  30.34880 ppm1  8.223  ppm2  7.023
assi (( attr rmsd < 8.788  and attr rmsd >  8.728  ) 
  and bondedto( attr rmsd <  122.166  and attr rmsd > 121.566  )) 
     ( attr rmsd < 7.709  and attr rmsd > 7.649  ) 
  6 6 0  peak  5601  volume  60.26510 ppm1  8.758  ppm2  7.679
assi (( attr rmsd < 8.865  and attr rmsd >  8.805  ) 
  and bondedto( attr rmsd <  115.223  and attr rmsd > 114.623  )) 
     ( attr rmsd < 2.126  and attr rmsd > 2.066  ) 
  6 6 0  peak  5691  volume  149.38440 ppm1  8.835  ppm2  2.096
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  112.3  and attr rmsd > 111.7  )) 
     ( attr rmsd < 1.773  and attr rmsd > 1.713  ) 
  6 6 0  peak  5751  volume  327.31631 ppm1  8.117  ppm2  1.743
assi (( attr rmsd < 9.246  and attr rmsd >  9.186  ) 
  and bondedto( attr rmsd <  125.464  and attr rmsd > 124.864  )) 
     ( attr rmsd < 3.85  and attr rmsd > 3.79  ) 
  6 6 0  peak  5811  volume  49.42120 ppm1  9.216  ppm2  3.820
assi (( attr rmsd < 9.246  and attr rmsd >  9.186  ) 
  and bondedto( attr rmsd <  125.464  and attr rmsd > 124.864  )) 
     ( attr rmsd < 1.58  and attr rmsd > 1.52  ) 
  6 6 0  peak  5821  volume  59.84010 ppm1  9.216  ppm2  1.550
assi (( attr rmsd < 7.856  and attr rmsd >  7.796  ) 
  and bondedto( attr rmsd <  117.653  and attr rmsd > 117.053  )) 
     ( attr rmsd < 3.85  and attr rmsd > 3.79  ) 
  6 6 0  peak  5831  volume  21.05750 ppm1  7.826  ppm2  3.820
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  117.132  and attr rmsd > 116.532  )) 
     ( attr rmsd < 5.643  and attr rmsd > 5.583  ) 
  6 6 0  peak  5921  volume  41.34500 ppm1  7.687  ppm2  5.613
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 2.146  and attr rmsd > 2.086  ) 
  6 6 0  peak  5931  volume  82.30640 ppm1  8.117  ppm2  2.116
assi (( attr rmsd < 8.383  and attr rmsd >  8.323  ) 
  and bondedto( attr rmsd <  121.472  and attr rmsd > 120.872  )) 
     ( attr rmsd < 7.231  and attr rmsd > 7.171  ) 
  6 6 0  peak  5981  volume  20.79810 ppm1  8.353  ppm2  7.201
assi (( attr rmsd < 7.537  and attr rmsd >  7.477  ) 
  and bondedto( attr rmsd <  109.321  and attr rmsd > 108.721  )) 
     ( attr rmsd < 8.546  and attr rmsd > 8.486  ) 
  6 6 0  peak  5991  volume  28.56030 ppm1  7.507  ppm2  8.516
assi (( attr rmsd < 9.103  and attr rmsd >  9.043  ) 
  and bondedto( attr rmsd <  128.936  and attr rmsd > 128.336  )) 
     ( attr rmsd < 1.626  and attr rmsd > 1.566  ) 
  6 6 0  peak  6001  volume  33.97820 ppm1  9.073  ppm2  1.596
assi (( attr rmsd < 8.956  and attr rmsd >  8.896  ) 
  and bondedto( attr rmsd <  122.687  and attr rmsd > 122.087  )) 
     ( attr rmsd < 2.425  and attr rmsd > 2.365  ) 
  6 6 0  peak  6021  volume  92.06070 ppm1  8.926  ppm2  2.395
assi (( attr rmsd < 8.424  and attr rmsd >  8.364  ) 
  and bondedto( attr rmsd <  118.868  and attr rmsd > 118.268  )) 
     ( attr rmsd < 2.083  and attr rmsd > 2.023  ) 
  6 6 0  peak  6051  volume  217.03461 ppm1  8.394  ppm2  2.053
assi (( attr rmsd < 7.856  and attr rmsd >  7.796  ) 
  and bondedto( attr rmsd <  117.653  and attr rmsd > 117.053  )) 
     ( attr rmsd < 4.735  and attr rmsd > 4.675  ) 
  6 6 0  peak  6061  volume  260.93860 ppm1  7.826  ppm2  4.705
assi (( attr rmsd < 9.254  and attr rmsd >  9.194  ) 
  and bondedto( attr rmsd <  116.3  and attr rmsd > 115.7  )) 
     ( attr rmsd < 1.461  and attr rmsd > 1.401  ) 
  6 6 0  peak  6081  volume  75.12810 ppm1  9.224  ppm2  1.431
assi (( attr rmsd < 8.364  and attr rmsd >  8.304  ) 
  and bondedto( attr rmsd <  119.562  and attr rmsd > 118.962  )) 
     ( attr rmsd < 3.146  and attr rmsd > 3.086  ) 
  6 6 0  peak  6091  volume  40.54360 ppm1  8.334  ppm2  3.116
assi (( attr rmsd < 8.364  and attr rmsd >  8.304  ) 
  and bondedto( attr rmsd <  119.562  and attr rmsd > 118.962  )) 
     ( attr rmsd < 2.167  and attr rmsd > 2.107  ) 
  6 6 0  peak  6101  volume  75.55550 ppm1  8.334  ppm2  2.137
assi (( attr rmsd < 8.364  and attr rmsd >  8.304  ) 
  and bondedto( attr rmsd <  119.562  and attr rmsd > 118.962  )) 
     ( attr rmsd < 1.804  and attr rmsd > 1.744  ) 
  6 6 0  peak  6121  volume  30.26250 ppm1  8.334  ppm2  1.774
assi (( attr rmsd < 8.364  and attr rmsd >  8.304  ) 
  and bondedto( attr rmsd <  119.562  and attr rmsd > 118.962  )) 
     ( attr rmsd < 8.64  and attr rmsd > 8.58  ) 
  6 6 0  peak  6131  volume  21.65300 ppm1  8.334  ppm2  8.610
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  115.223  and attr rmsd > 114.623  )) 
     ( attr rmsd < 5.321  and attr rmsd > 5.261  ) 
  6 6 0  peak  6141  volume  67.58020 ppm1  7.687  ppm2  5.291
assi (( attr rmsd < 9.181  and attr rmsd >  9.121  ) 
  and bondedto( attr rmsd <  112.445  and attr rmsd > 111.845  )) 
     ( attr rmsd < 0.405  and attr rmsd > 0.345  ) 
  6 6 0  peak  6151  volume  71.92870 ppm1  9.151  ppm2  0.375
assi (( attr rmsd < 8.947  and attr rmsd >  8.887  ) 
  and bondedto( attr rmsd <  109.321  and attr rmsd > 108.721  )) 
     ( attr rmsd < 2.511  and attr rmsd > 2.451  ) 
  6 6 0  peak  6161  volume  74.68650 ppm1  8.917  ppm2  2.481
assi (( attr rmsd < 8.703  and attr rmsd >  8.643  ) 
  and bondedto( attr rmsd <  124.423  and attr rmsd > 123.823  )) 
     ( attr rmsd < 1.42  and attr rmsd > 1.36  ) 
  6 6 0  peak  6181  volume  211.96300 ppm1  8.673  ppm2  1.390
assi (( attr rmsd < 8.961  and attr rmsd >  8.901  ) 
  and bondedto( attr rmsd <  109.668  and attr rmsd > 109.068  )) 
     ( attr rmsd < -0.373  and attr rmsd > -0.433  ) 
  6 6 0  peak  6211  volume  29.30840 ppm1  8.931  ppm2  -0.403
assi (( attr rmsd < 8.383  and attr rmsd >  8.323  ) 
  and bondedto( attr rmsd <  121.472  and attr rmsd > 120.872  )) 
     ( attr rmsd < 6.931  and attr rmsd > 6.871  ) 
  6 6 0  peak  6231  volume  31.27570 ppm1  8.353  ppm2  6.901
assi (( attr rmsd < 8.534  and attr rmsd >  8.474  ) 
  and bondedto( attr rmsd <  114.181  and attr rmsd > 113.581  )) 
     ( attr rmsd < 0.907  and attr rmsd > 0.847  ) 
  6 6 0  peak  6351  volume  28.53530 ppm1  8.504  ppm2  0.877
assi (( attr rmsd < 7.537  and attr rmsd >  7.477  ) 
  and bondedto( attr rmsd <  109.321  and attr rmsd > 108.721  )) 
     ( attr rmsd < 4.675  and attr rmsd > 4.615  ) 
  6 6 0  peak  6361  volume  255.82990 ppm1  7.507  ppm2  4.645
assi (( attr rmsd < 6.561  and attr rmsd >  6.501  ) 
  and bondedto( attr rmsd <  114.528  and attr rmsd > 113.928  )) 
     ( attr rmsd < 2.26  and attr rmsd > 2.2  ) 
  6 6 0  peak  6401  volume  27.37580 ppm1  6.531  ppm2  2.230
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  115.223  and attr rmsd > 114.623  )) 
     ( attr rmsd < 2.469  and attr rmsd > 2.409  ) 
  6 6 0  peak  6411  volume  25.63830 ppm1  7.687  ppm2  2.439
assi (( attr rmsd < 8.253  and attr rmsd >  8.193  ) 
  and bondedto( attr rmsd <  116.091  and attr rmsd > 115.491  )) 
     ( attr rmsd < 9.957  and attr rmsd > 9.897  ) 
  6 6 0  peak  6421  volume  23.76140 ppm1  8.223  ppm2  9.927
assi (( attr rmsd < 9.254  and attr rmsd >  9.194  ) 
  and bondedto( attr rmsd <  116.3  and attr rmsd > 115.7  )) 
     ( attr rmsd < 0.057  and attr rmsd > -0.003  ) 
  6 6 0  peak  6441  volume  37.23610 ppm1  9.224  ppm2  0.027
assi (( attr rmsd < 6.797  and attr rmsd >  6.737  ) 
  and bondedto( attr rmsd <  117.306  and attr rmsd > 116.706  )) 
     ( attr rmsd < 5.802  and attr rmsd > 5.742  ) 
  6 6 0  peak  6461  volume  24.31260 ppm1  6.767  ppm2  5.772
assi (( attr rmsd < 6.797  and attr rmsd >  6.737  ) 
  and bondedto( attr rmsd <  117.306  and attr rmsd > 116.706  )) 
     ( attr rmsd < 8.593  and attr rmsd > 8.533  ) 
  6 6 0  peak  6471  volume  27.79150 ppm1  6.767  ppm2  8.563
assi (( attr rmsd < 7.856  and attr rmsd >  7.796  ) 
  and bondedto( attr rmsd <  117.653  and attr rmsd > 117.053  )) 
     ( attr rmsd < 3.054  and attr rmsd > 2.994  ) 
  6 6 0  peak  6481  volume  45.23530 ppm1  7.826  ppm2  3.024
assi (( attr rmsd < 8.364  and attr rmsd >  8.304  ) 
  and bondedto( attr rmsd <  119.562  and attr rmsd > 118.962  )) 
     ( attr rmsd < 3.829  and attr rmsd > 3.769  ) 
  6 6 0  peak  6491  volume  29.45950 ppm1  8.334  ppm2  3.799
assi (( attr rmsd < 9.027  and attr rmsd >  8.967  ) 
  and bondedto( attr rmsd <  119.736  and attr rmsd > 119.136  )) 
     ( attr rmsd < 4.008  and attr rmsd > 3.948  ) 
  6 6 0  peak  6511  volume  16.34420 ppm1  8.997  ppm2  3.978
assi (( attr rmsd < 8.546  and attr rmsd >  8.486  ) 
  and bondedto( attr rmsd <  120.43  and attr rmsd > 119.83  )) 
     ( attr rmsd < -0.37  and attr rmsd > -0.43  ) 
  6 6 0  peak  6531  volume  19.92430 ppm1  8.516  ppm2  -0.400
assi (( attr rmsd < 9.441  and attr rmsd >  9.381  ) 
  and bondedto( attr rmsd <  120.604  and attr rmsd > 120.004  )) 
     ( attr rmsd < 3.849  and attr rmsd > 3.789  ) 
  6 6 0  peak  6551  volume  29.87810 ppm1  9.411  ppm2  3.819
assi (( attr rmsd < 9.13  and attr rmsd >  9.07  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 1.375  and attr rmsd > 1.315  ) 
  6 6 0  peak  6561  volume  18.61030 ppm1  9.100  ppm2  1.345
assi (( attr rmsd < 7.7  and attr rmsd >  7.64  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 0.692  and attr rmsd > 0.632  ) 
  6 6 0  peak  6571  volume  13.02430 ppm1  7.670  ppm2  0.662
assi (( attr rmsd < 9.477  and attr rmsd >  9.417  ) 
  and bondedto( attr rmsd <  121.472  and attr rmsd > 120.872  )) 
     ( attr rmsd < 2.102  and attr rmsd > 2.042  ) 
  6 6 0  peak  6581  volume  15.36180 ppm1  9.447  ppm2  2.072
assi (( attr rmsd < 9.477  and attr rmsd >  9.417  ) 
  and bondedto( attr rmsd <  121.472  and attr rmsd > 120.872  )) 
     ( attr rmsd < 0.676  and attr rmsd > 0.616  ) 
  6 6 0  peak  6591  volume  28.58840 ppm1  9.447  ppm2  0.646
assi (( attr rmsd < 8.351  and attr rmsd >  8.291  ) 
  and bondedto( attr rmsd <  121.819  and attr rmsd > 121.219  )) 
     ( attr rmsd < 0.935  and attr rmsd > 0.875  ) 
  6 6 0  peak  6601  volume  101.27150 ppm1  8.321  ppm2  0.905
assi (( attr rmsd < 8.834  and attr rmsd >  8.774  ) 
  and bondedto( attr rmsd <  123.381  and attr rmsd > 122.781  )) 
     ( attr rmsd < 9.31  and attr rmsd > 9.25  ) 
  6 6 0  peak  6641  volume  26.74590 ppm1  8.804  ppm2  9.280
assi (( attr rmsd < 8.333  and attr rmsd >  8.273  ) 
  and bondedto( attr rmsd <  123.381  and attr rmsd > 122.781  )) 
     ( attr rmsd < 5.732  and attr rmsd > 5.672  ) 
  6 6 0  peak  6651  volume  27.72040 ppm1  8.303  ppm2  5.702
assi (( attr rmsd < 8.64  and attr rmsd >  8.58  ) 
  and bondedto( attr rmsd <  124.076  and attr rmsd > 123.476  )) 
     ( attr rmsd < 0.423  and attr rmsd > 0.363  ) 
  6 6 0  peak  6661  volume  77.44730 ppm1  8.610  ppm2  0.393
assi (( attr rmsd < 8.575  and attr rmsd >  8.515  ) 
  and bondedto( attr rmsd <  128.068  and attr rmsd > 127.468  )) 
     ( attr rmsd < 4.691  and attr rmsd > 4.631  ) 
  6 6 0  peak  6681  volume  17.30350 ppm1  8.545  ppm2  4.661
assi (( attr rmsd < 9.103  and attr rmsd >  9.043  ) 
  and bondedto( attr rmsd <  128.936  and attr rmsd > 128.336  )) 
     ( attr rmsd < -0.999  and attr rmsd > -1.059  ) 
  6 6 0  peak  6711  volume  19.36760 ppm1  9.073  ppm2  -1.029
assi (( attr rmsd < 7.953  and attr rmsd >  7.893  ) 
  and bondedto( attr rmsd <  117.306  and attr rmsd > 116.706  )) 
     ( attr rmsd < 5.146  and attr rmsd > 5.086  ) 
  6 6 0  peak  6731  volume  26.25700 ppm1  7.923  ppm2  5.116
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < -0.172  and attr rmsd > -0.232  ) 
  6 6 0  peak  6741  volume  14.37030 ppm1  8.117  ppm2  -0.202
assi (( attr rmsd < 8.546  and attr rmsd >  8.486  ) 
  and bondedto( attr rmsd <  120.43  and attr rmsd > 119.83  )) 
     ( attr rmsd < 1.536  and attr rmsd > 1.476  ) 
  6 6 0  peak  6751  volume  54.86630 ppm1  8.516  ppm2  1.506
assi (( attr rmsd < 9.441  and attr rmsd >  9.381  ) 
  and bondedto( attr rmsd <  120.604  and attr rmsd > 120.004  )) 
     ( attr rmsd < 1.669  and attr rmsd > 1.609  ) 
  6 6 0  peak  6761  volume  132.97771 ppm1  9.411  ppm2  1.639
assi (( attr rmsd < 9.199  and attr rmsd >  9.139  ) 
  and bondedto( attr rmsd <  116.438  and attr rmsd > 115.838  )) 
     ( attr rmsd < 8.685  and attr rmsd > 8.625  ) 
  6 6 0  peak  6771  volume  53.10950 ppm1  9.169  ppm2  8.655
assi (( attr rmsd < 9.094  and attr rmsd >  9.034  ) 
  and bondedto( attr rmsd <  116.785  and attr rmsd > 116.185  )) 
     ( attr rmsd < 7.228  and attr rmsd > 7.168  ) 
  6 6 0  peak  6801  volume  15.87060 ppm1  9.064  ppm2  7.198
assi (( attr rmsd < 9.094  and attr rmsd >  9.034  ) 
  and bondedto( attr rmsd <  116.785  and attr rmsd > 116.185  )) 
     ( attr rmsd < 9.657  and attr rmsd > 9.597  ) 
  6 6 0  peak  6811  volume  14.62350 ppm1  9.064  ppm2  9.627
assi (( attr rmsd < 9.094  and attr rmsd >  9.034  ) 
  and bondedto( attr rmsd <  116.785  and attr rmsd > 116.185  )) 
     ( attr rmsd < 8.634  and attr rmsd > 8.574  ) 
  6 6 0  peak  6821  volume  10.27060 ppm1  9.064  ppm2  8.604
assi (( attr rmsd < 8.52  and attr rmsd >  8.46  ) 
  and bondedto( attr rmsd <  115.917  and attr rmsd > 115.317  )) 
     ( attr rmsd < 3.305  and attr rmsd > 3.245  ) 
  6 6 0  peak  6851  volume  42.19110 ppm1  8.490  ppm2  3.275
assi (( attr rmsd < 8.52  and attr rmsd >  8.46  ) 
  and bondedto( attr rmsd <  115.917  and attr rmsd > 115.317  )) 
     ( attr rmsd < 0.95  and attr rmsd > 0.89  ) 
  6 6 0  peak  6861  volume  86.83680 ppm1  8.490  ppm2  0.920
assi (( attr rmsd < 8.52  and attr rmsd >  8.46  ) 
  and bondedto( attr rmsd <  115.917  and attr rmsd > 115.317  )) 
     ( attr rmsd < 1.376  and attr rmsd > 1.316  ) 
  6 6 0  peak  6871  volume  19.34360 ppm1  8.490  ppm2  1.346
assi (( attr rmsd < 8.52  and attr rmsd >  8.46  ) 
  and bondedto( attr rmsd <  115.917  and attr rmsd > 115.317  )) 
     ( attr rmsd < 1.626  and attr rmsd > 1.566  ) 
  6 6 0  peak  6881  volume  75.05730 ppm1  8.490  ppm2  1.596
assi (( attr rmsd < 9.027  and attr rmsd >  8.967  ) 
  and bondedto( attr rmsd <  119.736  and attr rmsd > 119.136  )) 
     ( attr rmsd < 3.297  and attr rmsd > 3.237  ) 
  6 6 0  peak  6901  volume  11.27690 ppm1  8.997  ppm2  3.267
assi (( attr rmsd < 9.027  and attr rmsd >  8.967  ) 
  and bondedto( attr rmsd <  119.736  and attr rmsd > 119.136  )) 
     ( attr rmsd < 0.134  and attr rmsd > 0.074  ) 
  6 6 0  peak  6911  volume  6.06220 ppm1  8.997  ppm2  0.104
assi (( attr rmsd < 7.537  and attr rmsd >  7.477  ) 
  and bondedto( attr rmsd <  109.321  and attr rmsd > 108.721  )) 
     ( attr rmsd < 1.943  and attr rmsd > 1.883  ) 
  6 6 0  peak  6921  volume  89.03370 ppm1  7.507  ppm2  1.913
assi (( attr rmsd < 7.537  and attr rmsd >  7.477  ) 
  and bondedto( attr rmsd <  109.321  and attr rmsd > 108.721  )) 
     ( attr rmsd < 1.654  and attr rmsd > 1.594  ) 
  6 6 0  peak  6931  volume  67.26660 ppm1  7.507  ppm2  1.624
assi (( attr rmsd < 7.537  and attr rmsd >  7.477  ) 
  and bondedto( attr rmsd <  109.321  and attr rmsd > 108.721  )) 
     ( attr rmsd < 0.919  and attr rmsd > 0.859  ) 
  6 6 0  peak  6941  volume  93.91660 ppm1  7.507  ppm2  0.889
assi (( attr rmsd < 8.391  and attr rmsd >  8.331  ) 
  and bondedto( attr rmsd <  112.966  and attr rmsd > 112.366  )) 
     ( attr rmsd < 9.403  and attr rmsd > 9.343  ) 
  6 6 0  peak  6951  volume  13.59390 ppm1  8.361  ppm2  9.373
assi (( attr rmsd < 8.391  and attr rmsd >  8.331  ) 
  and bondedto( attr rmsd <  112.966  and attr rmsd > 112.366  )) 
     ( attr rmsd < 6.51  and attr rmsd > 6.45  ) 
  6 6 0  peak  6961  volume  14.13590 ppm1  8.361  ppm2  6.480
assi (( attr rmsd < 8.391  and attr rmsd >  8.331  ) 
  and bondedto( attr rmsd <  112.966  and attr rmsd > 112.366  )) 
     ( attr rmsd < 1.692  and attr rmsd > 1.632  ) 
  6 6 0  peak  6971  volume  16.37210 ppm1  8.361  ppm2  1.662
assi (( attr rmsd < 8.573  and attr rmsd >  8.513  ) 
  and bondedto( attr rmsd <  122.86  and attr rmsd > 122.26  )) 
     ( attr rmsd < 1.354  and attr rmsd > 1.294  ) 
  6 6 0  peak  6991  volume  111.07430 ppm1  8.543  ppm2  1.324
assi (( attr rmsd < 8.573  and attr rmsd >  8.513  ) 
  and bondedto( attr rmsd <  122.86  and attr rmsd > 122.26  )) 
     ( attr rmsd < 1.523  and attr rmsd > 1.463  ) 
  6 6 0  peak  7001  volume  129.85320 ppm1  8.543  ppm2  1.493
assi (( attr rmsd < 8.573  and attr rmsd >  8.513  ) 
  and bondedto( attr rmsd <  122.86  and attr rmsd > 122.26  )) 
     ( attr rmsd < 0.737  and attr rmsd > 0.677  ) 
  6 6 0  peak  7011  volume  115.00980 ppm1  8.543  ppm2  0.707
assi (( attr rmsd < 9.103  and attr rmsd >  9.043  ) 
  and bondedto( attr rmsd <  128.936  and attr rmsd > 128.336  )) 
     ( attr rmsd < 2.252  and attr rmsd > 2.192  ) 
  6 6 0  peak  7021  volume  10.74210 ppm1  9.073  ppm2  2.222
assi (( attr rmsd < 9.103  and attr rmsd >  9.043  ) 
  and bondedto( attr rmsd <  128.936  and attr rmsd > 128.336  )) 
     ( attr rmsd < 1.223  and attr rmsd > 1.163  ) 
  6 6 0  peak  7031  volume  12.71270 ppm1  9.073  ppm2  1.193
assi (( attr rmsd < 9.103  and attr rmsd >  9.043  ) 
  and bondedto( attr rmsd <  128.936  and attr rmsd > 128.336  )) 
     ( attr rmsd < 6.97  and attr rmsd > 6.91  ) 
  6 6 0  peak  7041  volume  62.69380 ppm1  9.073  ppm2  6.940
assi (( attr rmsd < 9.449  and attr rmsd >  9.389  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 0.673  and attr rmsd > 0.613  ) 
  6 6 0  peak  7061  volume  66.48310 ppm1  9.419  ppm2  0.643
assi (( attr rmsd < 9.449  and attr rmsd >  9.389  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 0.443  and attr rmsd > 0.383  ) 
  6 6 0  peak  7071  volume  86.72870 ppm1  9.419  ppm2  0.413
assi (( attr rmsd < 9.449  and attr rmsd >  9.389  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 0.978  and attr rmsd > 0.918  ) 
  6 6 0  peak  7081  volume  87.58830 ppm1  9.419  ppm2  0.948
assi (( attr rmsd < 9.449  and attr rmsd >  9.389  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 2.095  and attr rmsd > 2.035  ) 
  6 6 0  peak  7091  volume  7.22330 ppm1  9.419  ppm2  2.065
assi (( attr rmsd < 8.835  and attr rmsd >  8.775  ) 
  and bondedto( attr rmsd <  123.381  and attr rmsd > 122.781  )) 
     ( attr rmsd < 9.49  and attr rmsd > 9.43  ) 
  6 6 0  peak  7101  volume  32.25040 ppm1  8.805  ppm2  9.460
assi (( attr rmsd < 9.678  and attr rmsd >  9.618  ) 
  and bondedto( attr rmsd <  125.811  and attr rmsd > 125.211  )) 
     ( attr rmsd < 1.484  and attr rmsd > 1.424  ) 
  6 6 0  peak  7161  volume  36.27860 ppm1  9.648  ppm2  1.454
assi (( attr rmsd < 9.678  and attr rmsd >  9.618  ) 
  and bondedto( attr rmsd <  125.811  and attr rmsd > 125.211  )) 
     ( attr rmsd < 0.39  and attr rmsd > 0.33  ) 
  6 6 0  peak  7181  volume  19.87690 ppm1  9.648  ppm2  0.360
assi (( attr rmsd < 9.678  and attr rmsd >  9.618  ) 
  and bondedto( attr rmsd <  125.811  and attr rmsd > 125.211  )) 
     ( attr rmsd < 0.889  and attr rmsd > 0.829  ) 
  6 6 0  peak  7191  volume  22.45190 ppm1  9.648  ppm2  0.859
assi (( attr rmsd < 9.678  and attr rmsd >  9.618  ) 
  and bondedto( attr rmsd <  125.811  and attr rmsd > 125.211  )) 
     ( attr rmsd < -0.284  and attr rmsd > -0.344  ) 
  6 6 0  peak  7201  volume  26.49560 ppm1  9.648  ppm2  -0.314
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  117.132  and attr rmsd > 116.532  )) 
     ( attr rmsd < 5.11  and attr rmsd > 5.05  ) 
  6 6 0  peak  7221  volume  24.47250 ppm1  7.687  ppm2  5.080
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  117.132  and attr rmsd > 116.532  )) 
     ( attr rmsd < 1.011  and attr rmsd > 0.951  ) 
  6 6 0  peak  7251  volume  56.70160 ppm1  7.687  ppm2  0.981
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  112.272  and attr rmsd > 111.672  )) 
     ( attr rmsd < 2.866  and attr rmsd > 2.806  ) 
  6 6 0  peak  7261  volume  15.04500 ppm1  8.117  ppm2  2.836
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  112.272  and attr rmsd > 111.672  )) 
     ( attr rmsd < 1.458  and attr rmsd > 1.398  ) 
  6 6 0  peak  7271  volume  69.78690 ppm1  8.117  ppm2  1.428
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  112.272  and attr rmsd > 111.672  )) 
     ( attr rmsd < 1.264  and attr rmsd > 1.204  ) 
  6 6 0  peak  7281  volume  22.79020 ppm1  8.117  ppm2  1.234
assi (( attr rmsd < 9.477  and attr rmsd >  9.417  ) 
  and bondedto( attr rmsd <  121.472  and attr rmsd > 120.872  )) 
     ( attr rmsd < 4.438  and attr rmsd > 4.378  ) 
  6 6 0  peak  7291  volume  38.99830 ppm1  9.447  ppm2  4.408
assi (( attr rmsd < 9.477  and attr rmsd >  9.417  ) 
  and bondedto( attr rmsd <  121.472  and attr rmsd > 120.872  )) 
     ( attr rmsd < 1.478  and attr rmsd > 1.418  ) 
  6 6 0  peak  7311  volume  17.66630 ppm1  9.447  ppm2  1.448
assi (( attr rmsd < 7.7  and attr rmsd >  7.64  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 1.099  and attr rmsd > 1.039  ) 
  6 6 0  peak  7331  volume  167.31250 ppm1  7.670  ppm2  1.069
assi (( attr rmsd < 7.031  and attr rmsd >  6.971  ) 
  and bondedto( attr rmsd <  118  and attr rmsd > 117.4  )) 
     ( attr rmsd < 4.101  and attr rmsd > 4.041  ) 
  6 6 0  peak  7341  volume  23.28860 ppm1  7.001  ppm2  4.071
assi (( attr rmsd < 7.832  and attr rmsd >  7.772  ) 
  and bondedto( attr rmsd <  127.547  and attr rmsd > 126.947  )) 
     ( attr rmsd < 7.072  and attr rmsd > 7.012  ) 
  6 6 0  peak  7361  volume  13.87080 ppm1  7.802  ppm2  7.042
assi (( attr rmsd < 7.831  and attr rmsd >  7.771  ) 
  and bondedto( attr rmsd <  127.547  and attr rmsd > 126.947  )) 
     ( attr rmsd < 0.882  and attr rmsd > 0.822  ) 
  6 6 0  peak  7371  volume  14.19150 ppm1  7.801  ppm2  0.852
assi (( attr rmsd < 7.832  and attr rmsd >  7.772  ) 
  and bondedto( attr rmsd <  127.547  and attr rmsd > 126.947  )) 
     ( attr rmsd < 1.431  and attr rmsd > 1.371  ) 
  6 6 0  peak  7381  volume  34.47190 ppm1  7.802  ppm2  1.401
assi (( attr rmsd < 9.431  and attr rmsd >  9.371  ) 
  and bondedto( attr rmsd <  122.687  and attr rmsd > 122.087  )) 
     ( attr rmsd < 4.693  and attr rmsd > 4.633  ) 
  6 6 0  peak  7391  volume  31.04020 ppm1  9.401  ppm2  4.663
assi (( attr rmsd < 9.431  and attr rmsd >  9.371  ) 
  and bondedto( attr rmsd <  122.687  and attr rmsd > 122.087  )) 
     ( attr rmsd < 8.357  and attr rmsd > 8.297  ) 
  6 6 0  peak  7411  volume  15.00170 ppm1  9.401  ppm2  8.327
assi (( attr rmsd < 9.431  and attr rmsd >  9.371  ) 
  and bondedto( attr rmsd <  122.687  and attr rmsd > 122.087  )) 
     ( attr rmsd < 7.842  and attr rmsd > 7.782  ) 
  6 6 0  peak  7421  volume  16.32750 ppm1  9.401  ppm2  7.812
assi (( attr rmsd < 8.019  and attr rmsd >  7.959  ) 
  and bondedto( attr rmsd <  121.993  and attr rmsd > 121.393  )) 
     ( attr rmsd < 7.721  and attr rmsd > 7.661  ) 
  6 6 0  peak  7431  volume  18.93700 ppm1  7.989  ppm2  7.691
assi (( attr rmsd < 8.019  and attr rmsd >  7.959  ) 
  and bondedto( attr rmsd <  121.993  and attr rmsd > 121.393  )) 
     ( attr rmsd < 7.532  and attr rmsd > 7.472  ) 
  6 6 0  peak  7441  volume  9.00540 ppm1  7.989  ppm2  7.502
assi (( attr rmsd < 8.019  and attr rmsd >  7.959  ) 
  and bondedto( attr rmsd <  121.993  and attr rmsd > 121.393  )) 
     ( attr rmsd < 2.622  and attr rmsd > 2.562  ) 
  6 6 0  peak  7451  volume  41.02770 ppm1  7.989  ppm2  2.592
assi (( attr rmsd < 8.779  and attr rmsd >  8.719  ) 
  and bondedto( attr rmsd <  122.86  and attr rmsd > 122.26  )) 
     ( attr rmsd < 3.252  and attr rmsd > 3.192  ) 
  6 6 0  peak  7491  volume  14.33390 ppm1  8.749  ppm2  3.222
assi (( attr rmsd < 8.779  and attr rmsd >  8.719  ) 
  and bondedto( attr rmsd <  122.86  and attr rmsd > 122.26  )) 
     ( attr rmsd < 2.472  and attr rmsd > 2.412  ) 
  6 6 0  peak  7501  volume  65.51670 ppm1  8.749  ppm2  2.442
assi (( attr rmsd < 8.575  and attr rmsd >  8.515  ) 
  and bondedto( attr rmsd <  128.068  and attr rmsd > 127.468  )) 
     ( attr rmsd < 1.376  and attr rmsd > 1.316  ) 
  6 6 0  peak  7511  volume  81.53820 ppm1  8.545  ppm2  1.346
assi (( attr rmsd < 8.575  and attr rmsd >  8.515  ) 
  and bondedto( attr rmsd <  128.068  and attr rmsd > 127.468  )) 
     ( attr rmsd < 1.791  and attr rmsd > 1.731  ) 
  6 6 0  peak  7521  volume  119.23830 ppm1  8.545  ppm2  1.761
assi (( attr rmsd < 9.344  and attr rmsd >  9.284  ) 
  and bondedto( attr rmsd <  126.853  and attr rmsd > 126.253  )) 
     ( attr rmsd < 8.596  and attr rmsd > 8.536  ) 
  6 6 0  peak  7531  volume  33.70640 ppm1  9.314  ppm2  8.566
assi (( attr rmsd < 9.112  and attr rmsd >  9.052  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 3.251  and attr rmsd > 3.191  ) 
  6 6 0  peak  7571  volume  108.29880 ppm1  9.082  ppm2  3.221
assi (( attr rmsd < 9.112  and attr rmsd >  9.052  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 2.505  and attr rmsd > 2.445  ) 
  6 6 0  peak  7581  volume  10.13600 ppm1  9.082  ppm2  2.475
assi (( attr rmsd < 9.112  and attr rmsd >  9.052  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 2.08  and attr rmsd > 2.02  ) 
  6 6 0  peak  7591  volume  58.53820 ppm1  9.082  ppm2  2.050
assi (( attr rmsd < 8.337  and attr rmsd >  8.277  ) 
  and bondedto( attr rmsd <  124.076  and attr rmsd > 123.476  )) 
     ( attr rmsd < 2.06  and attr rmsd > 2  ) 
  6 6 0  peak  7601  volume  15.86510 ppm1  8.307  ppm2  2.030
assi (( attr rmsd < 10.677  and attr rmsd >  10.617  ) 
  and bondedto( attr rmsd <  120.951  and attr rmsd > 120.351  )) 
     ( attr rmsd < 2.647  and attr rmsd > 2.587  ) 
  6 6 0  peak  7611  volume  69.85650 ppm1  10.647  ppm2  2.617
assi (( attr rmsd < 8.27  and attr rmsd >  8.21  ) 
  and bondedto( attr rmsd <  114.008  and attr rmsd > 113.408  )) 
     ( attr rmsd < 2.237  and attr rmsd > 2.177  ) 
  6 6 0  peak  7671  volume  29.94760 ppm1  8.240  ppm2  2.207
assi (( attr rmsd < 8.037  and attr rmsd >  7.977  ) 
  and bondedto( attr rmsd <  124.77  and attr rmsd > 124.17  )) 
     ( attr rmsd < 4.103  and attr rmsd > 4.043  ) 
  6 6 0  peak  7681  volume  35.85870 ppm1  8.007  ppm2  4.073
assi (( attr rmsd < 8.037  and attr rmsd >  7.977  ) 
  and bondedto( attr rmsd <  124.77  and attr rmsd > 124.17  )) 
     ( attr rmsd < 2.973  and attr rmsd > 2.913  ) 
  6 6 0  peak  7701  volume  12.18770 ppm1  8.007  ppm2  2.943
assi (( attr rmsd < 8.937  and attr rmsd >  8.877  ) 
  and bondedto( attr rmsd <  113.487  and attr rmsd > 112.887  )) 
     ( attr rmsd < 4.693  and attr rmsd > 4.633  ) 
  6 6 0  peak  7711  volume  72.24480 ppm1  8.907  ppm2  4.663
assi (( attr rmsd < 7.433  and attr rmsd >  7.373  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 1.734  and attr rmsd > 1.674  ) 
  6 6 0  peak  7721  volume  31.51970 ppm1  7.403  ppm2  1.704
assi (( attr rmsd < 7.433  and attr rmsd >  7.373  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 0.896  and attr rmsd > 0.836  ) 
  6 6 0  peak  7731  volume  16.39820 ppm1  7.403  ppm2  0.866
assi (( attr rmsd < 8.165  and attr rmsd >  8.105  ) 
  and bondedto( attr rmsd <  116.3  and attr rmsd > 115.7  )) 
     ( attr rmsd < 0.095  and attr rmsd > 0.035  ) 
  6 6 0  peak  7741  volume  8.63360 ppm1  8.135  ppm2  0.065
assi (( attr rmsd < 6.797  and attr rmsd >  6.737  ) 
  and bondedto( attr rmsd <  117.306  and attr rmsd > 116.706  )) 
     ( attr rmsd < 2.017  and attr rmsd > 1.957  ) 
  6 6 0  peak  7751  volume  27.69740 ppm1  6.767  ppm2  1.987
assi (( attr rmsd < 8.546  and attr rmsd >  8.486  ) 
  and bondedto( attr rmsd <  120.43  and attr rmsd > 119.83  )) 
     ( attr rmsd < 0.054  and attr rmsd > -0.006  ) 
  6 6 0  peak  7781  volume  9.41350 ppm1  8.516  ppm2  0.024
assi (( attr rmsd < 8.546  and attr rmsd >  8.486  ) 
  and bondedto( attr rmsd <  120.43  and attr rmsd > 119.83  )) 
     ( attr rmsd < 0.378  and attr rmsd > 0.318  ) 
  6 6 0  peak  7791  volume  19.40690 ppm1  8.516  ppm2  0.348
assi (( attr rmsd < 8.786  and attr rmsd >  8.726  ) 
  and bondedto( attr rmsd <  116.959  and attr rmsd > 116.359  )) 
     ( attr rmsd < 7.209  and attr rmsd > 7.149  ) 
  6 6 0  peak  7801  volume  30.24310 ppm1  8.756  ppm2  7.179
assi (( attr rmsd < 8.703  and attr rmsd >  8.643  ) 
  and bondedto( attr rmsd <  124.423  and attr rmsd > 123.823  )) 
     ( attr rmsd < 8.189  and attr rmsd > 8.129  ) 
  6 6 0  peak  7821  volume  32.74990 ppm1  8.673  ppm2  8.159
assi (( attr rmsd < 9.246  and attr rmsd >  9.186  ) 
  and bondedto( attr rmsd <  125.464  and attr rmsd > 124.864  )) 
     ( attr rmsd < 1.962  and attr rmsd > 1.902  ) 
  6 6 0  peak  7831  volume  20.35680 ppm1  9.216  ppm2  1.932
assi (( attr rmsd < 8.745  and attr rmsd >  8.685  ) 
  and bondedto( attr rmsd <  114.181  and attr rmsd > 113.581  )) 
     ( attr rmsd < 0.889  and attr rmsd > 0.829  ) 
  6 6 0  peak  7841  volume  60.31010 ppm1  8.715  ppm2  0.859
assi (( attr rmsd < 8.745  and attr rmsd >  8.685  ) 
  and bondedto( attr rmsd <  114.181  and attr rmsd > 113.581  )) 
     ( attr rmsd < 1.07  and attr rmsd > 1.01  ) 
  6 6 0  peak  7851  volume  20.97320 ppm1  8.715  ppm2  1.040
assi (( attr rmsd < 9.216  and attr rmsd >  9.156  ) 
  and bondedto( attr rmsd <  124.249  and attr rmsd > 123.649  )) 
     ( attr rmsd < 4.898  and attr rmsd > 4.838  ) 
  6 6 0  peak  7871  volume  15.98540 ppm1  9.186  ppm2  4.868
assi (( attr rmsd < 8.773  and attr rmsd >  8.713  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 6.891  and attr rmsd > 6.831  ) 
  6 6 0  peak  7881  volume  16.08140 ppm1  8.743  ppm2  6.861
assi (( attr rmsd < 8.961  and attr rmsd >  8.901  ) 
  and bondedto( attr rmsd <  109.668  and attr rmsd > 109.068  )) 
     ( attr rmsd < 7.249  and attr rmsd > 7.189  ) 
  6 6 0  peak  7891  volume  47.89300 ppm1  8.931  ppm2  7.219
assi (( attr rmsd < 8.961  and attr rmsd >  8.901  ) 
  and bondedto( attr rmsd <  109.668  and attr rmsd > 109.068  )) 
     ( attr rmsd < 6.642  and attr rmsd > 6.582  ) 
  6 6 0  peak  7901  volume  28.45660 ppm1  8.931  ppm2  6.612
assi (( attr rmsd < 8.653  and attr rmsd >  8.593  ) 
  and bondedto( attr rmsd <  120.43  and attr rmsd > 119.83  )) 
     ( attr rmsd < 1.664  and attr rmsd > 1.604  ) 
  6 6 0  peak  7921  volume  140.07130 ppm1  8.623  ppm2  1.634
assi (( attr rmsd < 8.012  and attr rmsd >  7.952  ) 
  and bondedto( attr rmsd <  127.2  and attr rmsd > 126.6  )) 
     ( attr rmsd < 8.69  and attr rmsd > 8.63  ) 
  6 6 0  peak  7941  volume  43.76320 ppm1  7.982  ppm2  8.660
assi (( attr rmsd < 8.012  and attr rmsd >  7.952  ) 
  and bondedto( attr rmsd <  127.2  and attr rmsd > 126.6  )) 
     ( attr rmsd < 1.553  and attr rmsd > 1.493  ) 
  6 6 0  peak  7951  volume  81.97400 ppm1  7.982  ppm2  1.523
assi (( attr rmsd < 8.012  and attr rmsd >  7.952  ) 
  and bondedto( attr rmsd <  127.2  and attr rmsd > 126.6  )) 
     ( attr rmsd < 0.708  and attr rmsd > 0.648  ) 
  6 6 0  peak  7961  volume  91.48860 ppm1  7.982  ppm2  0.678
assi (( attr rmsd < 9.745  and attr rmsd >  9.685  ) 
  and bondedto( attr rmsd <  126.679  and attr rmsd > 126.079  )) 
     ( attr rmsd < 7.158  and attr rmsd > 7.098  ) 
  6 6 0  peak  7991  volume  13.57530 ppm1  9.715  ppm2  7.128
assi (( attr rmsd < 9.745  and attr rmsd >  9.685  ) 
  and bondedto( attr rmsd <  126.679  and attr rmsd > 126.079  )) 
     ( attr rmsd < 6.917  and attr rmsd > 6.857  ) 
  6 6 0  peak  8001  volume  6.26620 ppm1  9.715  ppm2  6.887
assi (( attr rmsd < 9.744  and attr rmsd >  9.684  ) 
  and bondedto( attr rmsd <  126.679  and attr rmsd > 126.079  )) 
     ( attr rmsd < 2.181  and attr rmsd > 2.121  ) 
  6 6 0  peak  8021  volume  10.74530 ppm1  9.714  ppm2  2.151
assi (( attr rmsd < 8.383  and attr rmsd >  8.323  ) 
  and bondedto( attr rmsd <  129.804  and attr rmsd > 129.204  )) 
     ( attr rmsd < 6.812  and attr rmsd > 6.752  ) 
  6 6 0  peak  8031  volume  23.49480 ppm1  8.353  ppm2  6.782
assi (( attr rmsd < 8.383  and attr rmsd >  8.323  ) 
  and bondedto( attr rmsd <  129.804  and attr rmsd > 129.204  )) 
     ( attr rmsd < 0.864  and attr rmsd > 0.804  ) 
  6 6 0  peak  8041  volume  11.44580 ppm1  8.353  ppm2  0.834
assi (( attr rmsd < 8.382  and attr rmsd >  8.322  ) 
  and bondedto( attr rmsd <  129.804  and attr rmsd > 129.204  )) 
     ( attr rmsd < 3.214  and attr rmsd > 3.154  ) 
  6 6 0  peak  8051  volume  14.32160 ppm1  8.352  ppm2  3.184
assi (( attr rmsd < 6.561  and attr rmsd >  6.501  ) 
  and bondedto( attr rmsd <  114.528  and attr rmsd > 113.928  )) 
     ( attr rmsd < 9.03  and attr rmsd > 8.97  ) 
  6 6 0  peak  8071  volume  40.99090 ppm1  6.531  ppm2  9.000
assi (( attr rmsd < 6.561  and attr rmsd >  6.501  ) 
  and bondedto( attr rmsd <  114.528  and attr rmsd > 113.928  )) 
     ( attr rmsd < 1.3  and attr rmsd > 1.24  ) 
  6 6 0  peak  8081  volume  15.85050 ppm1  6.531  ppm2  1.270
assi (( attr rmsd < 6.561  and attr rmsd >  6.501  ) 
  and bondedto( attr rmsd <  114.528  and attr rmsd > 113.928  )) 
     ( attr rmsd < 0.65  and attr rmsd > 0.59  ) 
  6 6 0  peak  8091  volume  112.71010 ppm1  6.531  ppm2  0.620
assi (( attr rmsd < 8.253  and attr rmsd >  8.193  ) 
  and bondedto( attr rmsd <  116.091  and attr rmsd > 115.491  )) 
     ( attr rmsd < 7.414  and attr rmsd > 7.354  ) 
  6 6 0  peak  8111  volume  11.91690 ppm1  8.223  ppm2  7.384
assi (( attr rmsd < 8.677  and attr rmsd >  8.617  ) 
  and bondedto( attr rmsd <  123.208  and attr rmsd > 122.608  )) 
     ( attr rmsd < 8.369  and attr rmsd > 8.309  ) 
  6 6 0  peak  8131  volume  24.46690 ppm1  8.647  ppm2  8.339
assi (( attr rmsd < 8.677  and attr rmsd >  8.617  ) 
  and bondedto( attr rmsd <  123.208  and attr rmsd > 122.608  )) 
     ( attr rmsd < 1.626  and attr rmsd > 1.566  ) 
  6 6 0  peak  8151  volume  49.70860 ppm1  8.647  ppm2  1.596
assi (( attr rmsd < 7.725  and attr rmsd >  7.665  ) 
  and bondedto( attr rmsd <  113.14  and attr rmsd > 112.54  )) 
     ( attr rmsd < 3.168  and attr rmsd > 3.108  ) 
  6 6 0  peak  8161  volume  52.85710 ppm1  7.695  ppm2  3.138
assi (( attr rmsd < 7.725  and attr rmsd >  7.665  ) 
  and bondedto( attr rmsd <  113.14  and attr rmsd > 112.54  )) 
     ( attr rmsd < 4.25  and attr rmsd > 4.19  ) 
  6 6 0  peak  8171  volume  38.95290 ppm1  7.695  ppm2  4.220
assi (( attr rmsd < 7.725  and attr rmsd >  7.665  ) 
  and bondedto( attr rmsd <  113.14  and attr rmsd > 112.54  )) 
     ( attr rmsd < 10.229  and attr rmsd > 10.169  ) 
  6 6 0  peak  8181  volume  11.11310 ppm1  7.695  ppm2  10.199
assi (( attr rmsd < 8.64  and attr rmsd >  8.58  ) 
  and bondedto( attr rmsd <  124.076  and attr rmsd > 123.476  )) 
     ( attr rmsd < 7.174  and attr rmsd > 7.114  ) 
  6 6 0  peak  8191  volume  24.56010 ppm1  8.610  ppm2  7.144
assi (( attr rmsd < 8.64  and attr rmsd >  8.58  ) 
  and bondedto( attr rmsd <  124.076  and attr rmsd > 123.476  )) 
     ( attr rmsd < 2.845  and attr rmsd > 2.785  ) 
  6 6 0  peak  8201  volume  14.46190 ppm1  8.610  ppm2  2.815
assi (( attr rmsd < 8.64  and attr rmsd >  8.58  ) 
  and bondedto( attr rmsd <  124.076  and attr rmsd > 123.476  )) 
     ( attr rmsd < 3.077  and attr rmsd > 3.017  ) 
  6 6 0  peak  8211  volume  18.81750 ppm1  8.610  ppm2  3.047
assi (( attr rmsd < 8.64  and attr rmsd >  8.58  ) 
  and bondedto( attr rmsd <  124.076  and attr rmsd > 123.476  )) 
     ( attr rmsd < 0.647  and attr rmsd > 0.587  ) 
  6 6 0  peak  8221  volume  176.25380 ppm1  8.610  ppm2  0.617
assi (( attr rmsd < 9.254  and attr rmsd >  9.194  ) 
  and bondedto( attr rmsd <  116.264  and attr rmsd > 115.664  )) 
     ( attr rmsd < 6.916  and attr rmsd > 6.856  ) 
  6 6 0  peak  8231  volume  7.97050 ppm1  9.224  ppm2  6.886
assi (( attr rmsd < 9.254  and attr rmsd >  9.194  ) 
  and bondedto( attr rmsd <  116.264  and attr rmsd > 115.664  )) 
     ( attr rmsd < 3.936  and attr rmsd > 3.876  ) 
  6 6 0  peak  8241  volume  14.28600 ppm1  9.224  ppm2  3.906
assi (( attr rmsd < 9.254  and attr rmsd >  9.194  ) 
  and bondedto( attr rmsd <  116.264  and attr rmsd > 115.664  )) 
     ( attr rmsd < 0.596  and attr rmsd > 0.536  ) 
  6 6 0  peak  8251  volume  73.07470 ppm1  9.224  ppm2  0.566
assi (( attr rmsd < 9.13  and attr rmsd >  9.07  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 6.264  and attr rmsd > 6.204  ) 
  6 6 0  peak  8261  volume  13.28930 ppm1  9.100  ppm2  6.234
assi (( attr rmsd < 9.13  and attr rmsd >  9.07  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 0.814  and attr rmsd > 0.754  ) 
  6 6 0  peak  8271  volume  21.42150 ppm1  9.100  ppm2  0.784
assi (( attr rmsd < 8.457  and attr rmsd >  8.397  ) 
  and bondedto( attr rmsd <  113.66  and attr rmsd > 113.06  )) 
     ( attr rmsd < 3.108  and attr rmsd > 3.048  ) 
  6 6 0  peak  8281  volume  8.62530 ppm1  8.427  ppm2  3.078
assi (( attr rmsd < 8.457  and attr rmsd >  8.397  ) 
  and bondedto( attr rmsd <  113.66  and attr rmsd > 113.06  )) 
     ( attr rmsd < 3.654  and attr rmsd > 3.594  ) 
  6 6 0  peak  8291  volume  13.42250 ppm1  8.427  ppm2  3.624
assi (( attr rmsd < 8.457  and attr rmsd >  8.397  ) 
  and bondedto( attr rmsd <  113.66  and attr rmsd > 113.06  )) 
     ( attr rmsd < 3.977  and attr rmsd > 3.917  ) 
  6 6 0  peak  8301  volume  14.51300 ppm1  8.427  ppm2  3.947
assi (( attr rmsd < 8.469  and attr rmsd >  8.409  ) 
  and bondedto( attr rmsd <  113.66  and attr rmsd > 113.06  )) 
     ( attr rmsd < 1.609  and attr rmsd > 1.549  ) 
  6 6 0  peak  8311  volume  175.54179 ppm1  8.439  ppm2  1.579
assi (( attr rmsd < 8.469  and attr rmsd >  8.409  ) 
  and bondedto( attr rmsd <  113.66  and attr rmsd > 113.06  )) 
     ( attr rmsd < 1.609  and attr rmsd > 1.549  ) 
  6 6 0  peak  8321  volume  175.54179 ppm1  8.439  ppm2  1.579
assi (( attr rmsd < 8.457  and attr rmsd >  8.397  ) 
  and bondedto( attr rmsd <  113.66  and attr rmsd > 113.06  )) 
     ( attr rmsd < 1.619  and attr rmsd > 1.559  ) 
  6 6 0  peak  8331  volume  93.82960 ppm1  8.427  ppm2  1.589
assi (( attr rmsd < 8.457  and attr rmsd >  8.397  ) 
  and bondedto( attr rmsd <  113.66  and attr rmsd > 113.06  )) 
     ( attr rmsd < 1.852  and attr rmsd > 1.792  ) 
  6 6 0  peak  8341  volume  52.24210 ppm1  8.427  ppm2  1.822
assi (( attr rmsd < 6.496  and attr rmsd >  6.436  ) 
  and bondedto( attr rmsd <  111.23  and attr rmsd > 110.63  )) 
     ( attr rmsd < 5.331  and attr rmsd > 5.271  ) 
  6 6 0  peak  8361  volume  9.06550 ppm1  6.466  ppm2  5.301
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  115.223  and attr rmsd > 114.623  )) 
     ( attr rmsd < 0.46  and attr rmsd > 0.4  ) 
  6 6 0  peak  8371  volume  17.67230 ppm1  7.687  ppm2  0.430
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  115.223  and attr rmsd > 114.623  )) 
     ( attr rmsd < 0.577  and attr rmsd > 0.517  ) 
  6 6 0  peak  8381  volume  23.57290 ppm1  7.687  ppm2  0.547
assi (( attr rmsd < 8.788  and attr rmsd >  8.728  ) 
  and bondedto( attr rmsd <  122.166  and attr rmsd > 121.566  )) 
     ( attr rmsd < 1.218  and attr rmsd > 1.158  ) 
  6 6 0  peak  8411  volume  89.66810 ppm1  8.758  ppm2  1.188
assi (( attr rmsd < 8.788  and attr rmsd >  8.728  ) 
  and bondedto( attr rmsd <  122.166  and attr rmsd > 121.566  )) 
     ( attr rmsd < 1.422  and attr rmsd > 1.362  ) 
  6 6 0  peak  8431  volume  192.90170 ppm1  8.758  ppm2  1.392
assi (( attr rmsd < 8.948  and attr rmsd >  8.888  ) 
  and bondedto( attr rmsd <  124.249  and attr rmsd > 123.649  )) 
     ( attr rmsd < 1.915  and attr rmsd > 1.855  ) 
  6 6 0  peak  8441  volume  351.28510 ppm1  8.918  ppm2  1.885
assi (( attr rmsd < 8.948  and attr rmsd >  8.888  ) 
  and bondedto( attr rmsd <  124.249  and attr rmsd > 123.649  )) 
     ( attr rmsd < 0.577  and attr rmsd > 0.517  ) 
  6 6 0  peak  8451  volume  11.60100 ppm1  8.918  ppm2  0.547
assi (( attr rmsd < 8.351  and attr rmsd >  8.291  ) 
  and bondedto( attr rmsd <  121.819  and attr rmsd > 121.219  )) 
     ( attr rmsd < 6.911  and attr rmsd > 6.851  ) 
  6 6 0  peak  8471  volume  39.59100 ppm1  8.321  ppm2  6.881
assi (( attr rmsd < 8.73  and attr rmsd >  8.67  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 0.919  and attr rmsd > 0.859  ) 
  6 6 0  peak  8481  volume  51.84960 ppm1  8.700  ppm2  0.889
assi (( attr rmsd < 9.181  and attr rmsd >  9.121  ) 
  and bondedto( attr rmsd <  112.445  and attr rmsd > 111.845  )) 
     ( attr rmsd < 3.915  and attr rmsd > 3.855  ) 
  6 6 0  peak  8501  volume  45.75230 ppm1  9.151  ppm2  3.885
assi (( attr rmsd < 9.04  and attr rmsd >  8.98  ) 
  and bondedto( attr rmsd <  115.57  and attr rmsd > 114.97  )) 
     ( attr rmsd < 0.663  and attr rmsd > 0.603  ) 
  6 6 0  peak  8511  volume  32.73830 ppm1  9.010  ppm2  0.633
assi (( attr rmsd < 8.148  and attr rmsd >  8.088  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 5.632  and attr rmsd > 5.572  ) 
  6 6 0  peak  8531  volume  15.56630 ppm1  8.118  ppm2  5.602
assi (( attr rmsd < 8.148  and attr rmsd >  8.088  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 3.652  and attr rmsd > 3.592  ) 
  6 6 0  peak  8541  volume  79.86850 ppm1  8.118  ppm2  3.622
assi (( attr rmsd < 8.148  and attr rmsd >  8.088  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 3.732  and attr rmsd > 3.672  ) 
  6 6 0  peak  8551  volume  26.74680 ppm1  8.118  ppm2  3.702
assi (( attr rmsd < 8.457  and attr rmsd >  8.397  ) 
  and bondedto( attr rmsd <  122.513  and attr rmsd > 121.913  )) 
     ( attr rmsd < 4.896  and attr rmsd > 4.836  ) 
  6 6 0  peak  8561  volume  56.68490 ppm1  8.427  ppm2  4.866
assi (( attr rmsd < 8.457  and attr rmsd >  8.397  ) 
  and bondedto( attr rmsd <  122.513  and attr rmsd > 121.913  )) 
     ( attr rmsd < 2.899  and attr rmsd > 2.839  ) 
  6 6 0  peak  8581  volume  54.20860 ppm1  8.427  ppm2  2.869
assi (( attr rmsd < 8.458  and attr rmsd >  8.398  ) 
  and bondedto( attr rmsd <  122.513  and attr rmsd > 121.913  )) 
     ( attr rmsd < 3.228  and attr rmsd > 3.168  ) 
  6 6 0  peak  8591  volume  65.85970 ppm1  8.428  ppm2  3.198
assi (( attr rmsd < 8.947  and attr rmsd >  8.887  ) 
  and bondedto( attr rmsd <  109.321  and attr rmsd > 108.721  )) 
     ( attr rmsd < 5.01  and attr rmsd > 4.95  ) 
  6 6 0  peak  8611  volume  39.16830 ppm1  8.917  ppm2  4.980
assi (( attr rmsd < 8.947  and attr rmsd >  8.887  ) 
  and bondedto( attr rmsd <  109.321  and attr rmsd > 108.721  )) 
     ( attr rmsd < 8.433  and attr rmsd > 8.373  ) 
  6 6 0  peak  8621  volume  19.15220 ppm1  8.917  ppm2  8.403
assi (( attr rmsd < 8.947  and attr rmsd >  8.887  ) 
  and bondedto( attr rmsd <  109.321  and attr rmsd > 108.721  )) 
     ( attr rmsd < 9.517  and attr rmsd > 9.457  ) 
  6 6 0  peak  8631  volume  43.24430 ppm1  8.917  ppm2  9.487
assi (( attr rmsd < 8.053  and attr rmsd >  7.993  ) 
  and bondedto( attr rmsd <  118.521  and attr rmsd > 117.921  )) 
     ( attr rmsd < 9.505  and attr rmsd > 9.445  ) 
  6 6 0  peak  8641  volume  25.24210 ppm1  8.023  ppm2  9.475
assi (( attr rmsd < 8.053  and attr rmsd >  7.993  ) 
  and bondedto( attr rmsd <  118.521  and attr rmsd > 117.921  )) 
     ( attr rmsd < 2.126  and attr rmsd > 2.066  ) 
  6 6 0  peak  8651  volume  33.75360 ppm1  8.023  ppm2  2.096
assi (( attr rmsd < 8.865  and attr rmsd >  8.805  ) 
  and bondedto( attr rmsd <  115.223  and attr rmsd > 114.623  )) 
     ( attr rmsd < 0.625  and attr rmsd > 0.565  ) 
  6 6 0  peak  8661  volume  19.16510 ppm1  8.835  ppm2  0.595
assi (( attr rmsd < 8.179  and attr rmsd >  8.119  ) 
  and bondedto( attr rmsd <  122.34  and attr rmsd > 121.74  )) 
     ( attr rmsd < 0.902  and attr rmsd > 0.842  ) 
  6 6 0  peak  8671  volume  90.18270 ppm1  8.149  ppm2  0.872
assi (( attr rmsd < 9.531  and attr rmsd >  9.471  ) 
  and bondedto( attr rmsd <  119.562  and attr rmsd > 118.962  )) 
     ( attr rmsd < 6.83  and attr rmsd > 6.77  ) 
  6 6 0  peak  8691  volume  16.53360 ppm1  9.501  ppm2  6.800
assi (( attr rmsd < 9.531  and attr rmsd >  9.471  ) 
  and bondedto( attr rmsd <  119.562  and attr rmsd > 118.962  )) 
     ( attr rmsd < 7.404  and attr rmsd > 7.344  ) 
  6 6 0  peak  8701  volume  42.87690 ppm1  9.501  ppm2  7.374
assi (( attr rmsd < 8.004  and attr rmsd >  7.944  ) 
  and bondedto( attr rmsd <  110.71  and attr rmsd > 110.11  )) 
     ( attr rmsd < 3.165  and attr rmsd > 3.105  ) 
  6 6 0  peak  8711  volume  16.18970 ppm1  7.974  ppm2  3.135
assi (( attr rmsd < 8.534  and attr rmsd >  8.474  ) 
  and bondedto( attr rmsd <  114.181  and attr rmsd > 113.581  )) 
     ( attr rmsd < 1.851  and attr rmsd > 1.791  ) 
  6 6 0  peak  8731  volume  25.84270 ppm1  8.504  ppm2  1.821
assi (( attr rmsd < 8.505  and attr rmsd >  8.445  ) 
  and bondedto( attr rmsd <  109.494  and attr rmsd > 108.894  )) 
     ( attr rmsd < 0.036  and attr rmsd > -0.024  ) 
  6 6 0  peak  8741  volume  7.99520 ppm1  8.475  ppm2  0.006
assi (( attr rmsd < 8.436  and attr rmsd >  8.376  ) 
  and bondedto( attr rmsd <  120.43  and attr rmsd > 119.83  )) 
     ( attr rmsd < 9.235  and attr rmsd > 9.175  ) 
  6 6 0  peak  8751  volume  18.67570 ppm1  8.406  ppm2  9.205
assi (( attr rmsd < 7.895  and attr rmsd >  7.835  ) 
  and bondedto( attr rmsd <  120.951  and attr rmsd > 120.351  )) 
     ( attr rmsd < 0.067  and attr rmsd > 0.007  ) 
  6 6 0  peak  8771  volume  7.90370 ppm1  7.865  ppm2  0.037
assi (( attr rmsd < 7.798  and attr rmsd >  7.738  ) 
  and bondedto( attr rmsd <  123.034  and attr rmsd > 122.434  )) 
     ( attr rmsd < 3.679  and attr rmsd > 3.619  ) 
  6 6 0  peak  8781  volume  35.77600 ppm1  7.768  ppm2  3.649
assi (( attr rmsd < 8.333  and attr rmsd >  8.273  ) 
  and bondedto( attr rmsd <  123.381  and attr rmsd > 122.781  )) 
     ( attr rmsd < 2.481  and attr rmsd > 2.421  ) 
  6 6 0  peak  8791  volume  8.34000 ppm1  8.303  ppm2  2.451
assi (( attr rmsd < 8.333  and attr rmsd >  8.273  ) 
  and bondedto( attr rmsd <  123.381  and attr rmsd > 122.781  )) 
     ( attr rmsd < 6.221  and attr rmsd > 6.161  ) 
  6 6 0  peak  8801  volume  9.64890 ppm1  8.303  ppm2  6.191
assi (( attr rmsd < 8.66  and attr rmsd >  8.6  ) 
  and bondedto( attr rmsd <  113.313  and attr rmsd > 112.713  )) 
     ( attr rmsd < 7.849  and attr rmsd > 7.789  ) 
  6 6 0  peak  8811  volume  5.35960 ppm1  8.630  ppm2  7.819
assi (( attr rmsd < 9.222  and attr rmsd >  9.162  ) 
  and bondedto( attr rmsd <  122.687  and attr rmsd > 122.087  )) 
     ( attr rmsd < 9  and attr rmsd > 8.94  ) 
  6 6 0  peak  8831  volume  20.06910 ppm1  9.192  ppm2  8.970
assi (( attr rmsd < 8.956  and attr rmsd >  8.896  ) 
  and bondedto( attr rmsd <  122.687  and attr rmsd > 122.087  )) 
     ( attr rmsd < 5.01  and attr rmsd > 4.95  ) 
  6 6 0  peak  8841  volume  10.84770 ppm1  8.926  ppm2  4.980
assi (( attr rmsd < 9.277  and attr rmsd >  9.217  ) 
  and bondedto( attr rmsd <  128.415  and attr rmsd > 127.815  )) 
     ( attr rmsd < 5.956  and attr rmsd > 5.896  ) 
  6 6 0  peak  8851  volume  11.98310 ppm1  9.247  ppm2  5.926
assi (( attr rmsd < 9.278  and attr rmsd >  9.218  ) 
  and bondedto( attr rmsd <  128.415  and attr rmsd > 127.815  )) 
     ( attr rmsd < 6.825  and attr rmsd > 6.765  ) 
  6 6 0  peak  8861  volume  20.24470 ppm1  9.248  ppm2  6.795
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 9.21  and attr rmsd > 9.15  ) 
  6 6 0  peak  8871  volume  30.42910 ppm1  8.117  ppm2  9.180
assi (( attr rmsd < 9.431  and attr rmsd >  9.371  ) 
  and bondedto( attr rmsd <  122.687  and attr rmsd > 122.087  )) 
     ( attr rmsd < 5.122  and attr rmsd > 5.062  ) 
  6 6 0  peak  8881  volume  40.90590 ppm1  9.401  ppm2  5.092
assi (( attr rmsd < 8.745  and attr rmsd >  8.685  ) 
  and bondedto( attr rmsd <  114.181  and attr rmsd > 113.581  )) 
     ( attr rmsd < 8.507  and attr rmsd > 8.447  ) 
  6 6 0  peak  8891  volume  49.51750 ppm1  8.715  ppm2  8.477
assi (( attr rmsd < 9.216  and attr rmsd >  9.156  ) 
  and bondedto( attr rmsd <  124.249  and attr rmsd > 123.649  )) 
     ( attr rmsd < 6.577  and attr rmsd > 6.517  ) 
  6 6 0  peak  8901  volume  4.45850 ppm1  9.186  ppm2  6.547
assi (( attr rmsd < 8.597  and attr rmsd >  8.537  ) 
  and bondedto( attr rmsd <  116.091  and attr rmsd > 115.491  )) 
     ( attr rmsd < 9.19  and attr rmsd > 9.13  ) 
  6 6 0  peak  8921  volume  9.26480 ppm1  8.567  ppm2  9.160
assi (( attr rmsd < 8.597  and attr rmsd >  8.537  ) 
  and bondedto( attr rmsd <  116.091  and attr rmsd > 115.491  )) 
     ( attr rmsd < 6.956  and attr rmsd > 6.896  ) 
  6 6 0  peak  8941  volume  23.77600 ppm1  8.567  ppm2  6.926
assi (( attr rmsd < 8.597  and attr rmsd >  8.537  ) 
  and bondedto( attr rmsd <  116.091  and attr rmsd > 115.491  )) 
     ( attr rmsd < 6.771  and attr rmsd > 6.711  ) 
  6 6 0  peak  8951  volume  23.41550 ppm1  8.567  ppm2  6.741
assi (( attr rmsd < 8.597  and attr rmsd >  8.537  ) 
  and bondedto( attr rmsd <  116.091  and attr rmsd > 115.491  )) 
     ( attr rmsd < 6.256  and attr rmsd > 6.196  ) 
  6 6 0  peak  8961  volume  10.95750 ppm1  8.567  ppm2  6.226
assi (( attr rmsd < 6.797  and attr rmsd >  6.737  ) 
  and bondedto( attr rmsd <  117.306  and attr rmsd > 116.706  )) 
     ( attr rmsd < 7.575  and attr rmsd > 7.515  ) 
  6 6 0  peak  8971  volume  8.78500 ppm1  6.767  ppm2  7.545
assi (( attr rmsd < 6.797  and attr rmsd >  6.737  ) 
  and bondedto( attr rmsd <  117.306  and attr rmsd > 116.706  )) 
     ( attr rmsd < 7.184  and attr rmsd > 7.124  ) 
  6 6 0  peak  8981  volume  11.69710 ppm1  6.767  ppm2  7.154
assi (( attr rmsd < 6.797  and attr rmsd >  6.737  ) 
  and bondedto( attr rmsd <  117.306  and attr rmsd > 116.706  )) 
     ( attr rmsd < 6.52  and attr rmsd > 6.46  ) 
  6 6 0  peak  8991  volume  8.38950 ppm1  6.767  ppm2  6.490
assi (( attr rmsd < 9.216  and attr rmsd >  9.156  ) 
  and bondedto( attr rmsd <  124.249  and attr rmsd > 123.649  )) 
     ( attr rmsd < 8.74  and attr rmsd > 8.68  ) 
  6 6 0  peak  9001  volume  14.83490 ppm1  9.186  ppm2  8.710
assi (( attr rmsd < 8.546  and attr rmsd >  8.486  ) 
  and bondedto( attr rmsd <  120.43  and attr rmsd > 119.83  )) 
     ( attr rmsd < 6.764  and attr rmsd > 6.704  ) 
  6 6 0  peak  9011  volume  35.12840 ppm1  8.516  ppm2  6.734
assi (( attr rmsd < 8.546  and attr rmsd >  8.486  ) 
  and bondedto( attr rmsd <  120.43  and attr rmsd > 119.83  )) 
     ( attr rmsd < 6.935  and attr rmsd > 6.875  ) 
  6 6 0  peak  9021  volume  12.19270 ppm1  8.516  ppm2  6.905
assi (( attr rmsd < 8.653  and attr rmsd >  8.593  ) 
  and bondedto( attr rmsd <  120.43  and attr rmsd > 119.83  )) 
     ( attr rmsd < 9.624  and attr rmsd > 9.564  ) 
  6 6 0  peak  9051  volume  8.91550 ppm1  8.623  ppm2  9.594
assi (( attr rmsd < 8.653  and attr rmsd >  8.593  ) 
  and bondedto( attr rmsd <  120.43  and attr rmsd > 119.83  )) 
     ( attr rmsd < 10.173  and attr rmsd > 10.113  ) 
  6 6 0  peak  9061  volume  8.89030 ppm1  8.623  ppm2  10.143
assi (( attr rmsd < 8.653  and attr rmsd >  8.593  ) 
  and bondedto( attr rmsd <  120.43  and attr rmsd > 119.83  )) 
     ( attr rmsd < 6.845  and attr rmsd > 6.785  ) 
  6 6 0  peak  9071  volume  15.37630 ppm1  8.623  ppm2  6.815
assi (( attr rmsd < 8.383  and attr rmsd >  8.323  ) 
  and bondedto( attr rmsd <  129.804  and attr rmsd > 129.204  )) 
     ( attr rmsd < 4.693  and attr rmsd > 4.633  ) 
  6 6 0  peak  9081  volume  78.56540 ppm1  8.353  ppm2  4.663
assi (( attr rmsd < 9.745  and attr rmsd >  9.685  ) 
  and bondedto( attr rmsd <  126.679  and attr rmsd > 126.079  )) 
     ( attr rmsd < 4.694  and attr rmsd > 4.634  ) 
  6 6 0  peak  9091  volume  38.46270 ppm1  9.715  ppm2  4.664
assi (( attr rmsd < 8.948  and attr rmsd >  8.888  ) 
  and bondedto( attr rmsd <  124.249  and attr rmsd > 123.649  )) 
     ( attr rmsd < 5.971  and attr rmsd > 5.911  ) 
  6 6 0  peak  9171  volume  14.82060 ppm1  8.918  ppm2  5.941
assi (( attr rmsd < 8.948  and attr rmsd >  8.888  ) 
  and bondedto( attr rmsd <  124.249  and attr rmsd > 123.649  )) 
     ( attr rmsd < 7.069  and attr rmsd > 7.009  ) 
  6 6 0  peak  9181  volume  9.20730 ppm1  8.918  ppm2  7.039
assi (( attr rmsd < 8.179  and attr rmsd >  8.119  ) 
  and bondedto( attr rmsd <  122.34  and attr rmsd > 121.74  )) 
     ( attr rmsd < 9.84  and attr rmsd > 9.78  ) 
  6 6 0  peak  9201  volume  4.86420 ppm1  8.149  ppm2  9.810
assi (( attr rmsd < 9.308  and attr rmsd >  9.248  ) 
  and bondedto( attr rmsd <  108.627  and attr rmsd > 108.027  )) 
     ( attr rmsd < 2.981  and attr rmsd > 2.921  ) 
  6 6 0  peak  9221  volume  4.88210 ppm1  9.278  ppm2  2.951
assi (( attr rmsd < 9.309  and attr rmsd >  9.249  ) 
  and bondedto( attr rmsd <  108.627  and attr rmsd > 108.027  )) 
     ( attr rmsd < 1.223  and attr rmsd > 1.163  ) 
  6 6 0  peak  9231  volume  35.96280 ppm1  9.279  ppm2  1.193
assi (( attr rmsd < 9.309  and attr rmsd >  9.249  ) 
  and bondedto( attr rmsd <  108.627  and attr rmsd > 108.027  )) 
     ( attr rmsd < 1.401  and attr rmsd > 1.341  ) 
  6 6 0  peak  9241  volume  55.52590 ppm1  9.279  ppm2  1.371
assi (( attr rmsd < 8.179  and attr rmsd >  8.119  ) 
  and bondedto( attr rmsd <  122.34  and attr rmsd > 121.74  )) 
     ( attr rmsd < 7.282  and attr rmsd > 7.222  ) 
  6 6 0  peak  9251  volume  43.51300 ppm1  8.149  ppm2  7.252
assi (( attr rmsd < 8.179  and attr rmsd >  8.119  ) 
  and bondedto( attr rmsd <  122.34  and attr rmsd > 121.74  )) 
     ( attr rmsd < 5.874  and attr rmsd > 5.814  ) 
  6 6 0  peak  9261  volume  7.05550 ppm1  8.149  ppm2  5.844
assi (( attr rmsd < 8.005  and attr rmsd >  7.945  ) 
  and bondedto( attr rmsd <  110.71  and attr rmsd > 110.11  )) 
     ( attr rmsd < 8.938  and attr rmsd > 8.878  ) 
  6 6 0  peak  9281  volume  16.79680 ppm1  7.975  ppm2  8.908
assi (( attr rmsd < 8.005  and attr rmsd >  7.945  ) 
  and bondedto( attr rmsd <  110.71  and attr rmsd > 110.11  )) 
     ( attr rmsd < 5.291  and attr rmsd > 5.231  ) 
  6 6 0  peak  9291  volume  41.17850 ppm1  7.975  ppm2  5.261
assi (( attr rmsd < 8.779  and attr rmsd >  8.719  ) 
  and bondedto( attr rmsd <  122.86  and attr rmsd > 122.26  )) 
     ( attr rmsd < 6.868  and attr rmsd > 6.808  ) 
  6 6 0  peak  9321  volume  14.11520 ppm1  8.749  ppm2  6.838
assi (( attr rmsd < 8.779  and attr rmsd >  8.719  ) 
  and bondedto( attr rmsd <  122.86  and attr rmsd > 122.26  )) 
     ( attr rmsd < 7.688  and attr rmsd > 7.628  ) 
  6 6 0  peak  9331  volume  9.16390 ppm1  8.749  ppm2  7.658
assi (( attr rmsd < 8.005  and attr rmsd >  7.945  ) 
  and bondedto( attr rmsd <  110.71  and attr rmsd > 110.11  )) 
     ( attr rmsd < 8.294  and attr rmsd > 8.234  ) 
  6 6 0  peak  9371  volume  29.02300 ppm1  7.975  ppm2  8.264
assi (( attr rmsd < 8.505  and attr rmsd >  8.445  ) 
  and bondedto( attr rmsd <  109.494  and attr rmsd > 108.894  )) 
     ( attr rmsd < 6.918  and attr rmsd > 6.858  ) 
  6 6 0  peak  9381  volume  13.25670 ppm1  8.475  ppm2  6.888
assi (( attr rmsd < 8.505  and attr rmsd >  8.445  ) 
  and bondedto( attr rmsd <  109.494  and attr rmsd > 108.894  )) 
     ( attr rmsd < 5.317  and attr rmsd > 5.257  ) 
  6 6 0  peak  9391  volume  4.42970 ppm1  8.475  ppm2  5.287
assi (( attr rmsd < 8.505  and attr rmsd >  8.445  ) 
  and bondedto( attr rmsd <  109.494  and attr rmsd > 108.894  )) 
     ( attr rmsd < 5.599  and attr rmsd > 5.539  ) 
  6 6 0  peak  9401  volume  8.62350 ppm1  8.475  ppm2  5.569
assi (( attr rmsd < 8.454  and attr rmsd >  8.394  ) 
  and bondedto( attr rmsd <  119.215  and attr rmsd > 118.615  )) 
     ( attr rmsd < 7.226  and attr rmsd > 7.166  ) 
  6 6 0  peak  9411  volume  46.61430 ppm1  8.424  ppm2  7.196
assi (( attr rmsd < 7.974  and attr rmsd >  7.914  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 7.229  and attr rmsd > 7.169  ) 
  6 6 0  peak  9421  volume  11.80010 ppm1  7.944  ppm2  7.199
assi (( attr rmsd < 7.974  and attr rmsd >  7.914  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 3.647  and attr rmsd > 3.587  ) 
  6 6 0  peak  9431  volume  13.05470 ppm1  7.944  ppm2  3.617
assi (( attr rmsd < 7.974  and attr rmsd >  7.914  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 1.446  and attr rmsd > 1.386  ) 
  6 6 0  peak  9441  volume  4.15620 ppm1  7.944  ppm2  1.416
assi (( attr rmsd < 7.974  and attr rmsd >  7.914  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 1.236  and attr rmsd > 1.176  ) 
  6 6 0  peak  9451  volume  17.74010 ppm1  7.944  ppm2  1.206
assi (( attr rmsd < 7.895  and attr rmsd >  7.835  ) 
  and bondedto( attr rmsd <  120.951  and attr rmsd > 120.351  )) 
     ( attr rmsd < 7.452  and attr rmsd > 7.392  ) 
  6 6 0  peak  9461  volume  30.73720 ppm1  7.865  ppm2  7.422
assi (( attr rmsd < 7.895  and attr rmsd >  7.835  ) 
  and bondedto( attr rmsd <  120.951  and attr rmsd > 120.351  )) 
     ( attr rmsd < 8.497  and attr rmsd > 8.437  ) 
  6 6 0  peak  9471  volume  7.92910 ppm1  7.865  ppm2  8.467
assi (( attr rmsd < 7.895  and attr rmsd >  7.835  ) 
  and bondedto( attr rmsd <  120.951  and attr rmsd > 120.351  )) 
     ( attr rmsd < 6.989  and attr rmsd > 6.929  ) 
  6 6 0  peak  9481  volume  10.88640 ppm1  7.865  ppm2  6.959
assi (( attr rmsd < 7.895  and attr rmsd >  7.835  ) 
  and bondedto( attr rmsd <  120.951  and attr rmsd > 120.351  )) 
     ( attr rmsd < 3.659  and attr rmsd > 3.599  ) 
  6 6 0  peak  9491  volume  6.22840 ppm1  7.865  ppm2  3.629
assi (( attr rmsd < 7.611  and attr rmsd >  7.551  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 5.195  and attr rmsd > 5.135  ) 
  6 6 0  peak  9501  volume  17.74620 ppm1  7.581  ppm2  5.165
assi (( attr rmsd < 7.611  and attr rmsd >  7.551  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 3.219  and attr rmsd > 3.159  ) 
  6 6 0  peak  9511  volume  6.93170 ppm1  7.581  ppm2  3.189
assi (( attr rmsd < 7.611  and attr rmsd >  7.551  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 3.422  and attr rmsd > 3.362  ) 
  6 6 0  peak  9521  volume  22.73910 ppm1  7.581  ppm2  3.392
assi (( attr rmsd < 7.611  and attr rmsd >  7.551  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 2.136  and attr rmsd > 2.076  ) 
  6 6 0  peak  9531  volume  11.41280 ppm1  7.581  ppm2  2.106
assi (( attr rmsd < 7.798  and attr rmsd >  7.738  ) 
  and bondedto( attr rmsd <  123.034  and attr rmsd > 122.434  )) 
     ( attr rmsd < 10.039  and attr rmsd > 9.979  ) 
  6 6 0  peak  9551  volume  8.28190 ppm1  7.768  ppm2  10.009
assi (( attr rmsd < 7.798  and attr rmsd >  7.738  ) 
  and bondedto( attr rmsd <  123.034  and attr rmsd > 122.434  )) 
     ( attr rmsd < 7.039  and attr rmsd > 6.979  ) 
  6 6 0  peak  9561  volume  9.85660 ppm1  7.768  ppm2  7.009
assi (( attr rmsd < 7.798  and attr rmsd >  7.738  ) 
  and bondedto( attr rmsd <  123.034  and attr rmsd > 122.434  )) 
     ( attr rmsd < 5.706  and attr rmsd > 5.646  ) 
  6 6 0  peak  9571  volume  12.93920 ppm1  7.768  ppm2  5.676
assi (( attr rmsd < 8.333  and attr rmsd >  8.273  ) 
  and bondedto( attr rmsd <  123.381  and attr rmsd > 122.781  )) 
     ( attr rmsd < 9.912  and attr rmsd > 9.852  ) 
  6 6 0  peak  9581  volume  4.18270 ppm1  8.303  ppm2  9.882
assi (( attr rmsd < 8.333  and attr rmsd >  8.273  ) 
  and bondedto( attr rmsd <  123.381  and attr rmsd > 122.781  )) 
     ( attr rmsd < 7.377  and attr rmsd > 7.317  ) 
  6 6 0  peak  9591  volume  7.01990 ppm1  8.303  ppm2  7.347
assi (( attr rmsd < 8.333  and attr rmsd >  8.273  ) 
  and bondedto( attr rmsd <  123.381  and attr rmsd > 122.781  )) 
     ( attr rmsd < 7.006  and attr rmsd > 6.946  ) 
  6 6 0  peak  9601  volume  6.85990 ppm1  8.303  ppm2  6.976
assi (( attr rmsd < 8.333  and attr rmsd >  8.273  ) 
  and bondedto( attr rmsd <  123.381  and attr rmsd > 122.781  )) 
     ( attr rmsd < 2.057  and attr rmsd > 1.997  ) 
  6 6 0  peak  9611  volume  5.43330 ppm1  8.303  ppm2  2.027
assi (( attr rmsd < 8.051  and attr rmsd >  7.991  ) 
  and bondedto( attr rmsd <  114.181  and attr rmsd > 113.581  )) 
     ( attr rmsd < 7.531  and attr rmsd > 7.471  ) 
  6 6 0  peak  9631  volume  21.86850 ppm1  8.021  ppm2  7.501
assi (( attr rmsd < 8.38  and attr rmsd >  8.32  ) 
  and bondedto( attr rmsd <  122.86  and attr rmsd > 122.26  )) 
     ( attr rmsd < 9.827  and attr rmsd > 9.767  ) 
  6 6 0  peak  9641  volume  11.28410 ppm1  8.350  ppm2  9.797
assi (( attr rmsd < 8.098  and attr rmsd >  8.038  ) 
  and bondedto( attr rmsd <  125.811  and attr rmsd > 125.211  )) 
     ( attr rmsd < 7.508  and attr rmsd > 7.448  ) 
  6 6 0  peak  9651  volume  19.50500 ppm1  8.068  ppm2  7.478
assi (( attr rmsd < 8.098  and attr rmsd >  8.038  ) 
  and bondedto( attr rmsd <  125.811  and attr rmsd > 125.211  )) 
     ( attr rmsd < 1.251  and attr rmsd > 1.191  ) 
  6 6 0  peak  9661  volume  8.53280 ppm1  8.068  ppm2  1.221
assi (( attr rmsd < 8.098  and attr rmsd >  8.038  ) 
  and bondedto( attr rmsd <  125.811  and attr rmsd > 125.211  )) 
     ( attr rmsd < 1.03  and attr rmsd > 0.97  ) 
  6 6 0  peak  9671  volume  16.10250 ppm1  8.068  ppm2  1.000
assi (( attr rmsd < 9.873  and attr rmsd >  9.813  ) 
  and bondedto( attr rmsd <  114.876  and attr rmsd > 114.276  )) 
     ( attr rmsd < 0.825  and attr rmsd > 0.765  ) 
  6 6 0  peak  9691  volume  5.08570 ppm1  9.843  ppm2  0.795
assi (( attr rmsd < 9.873  and attr rmsd >  9.813  ) 
  and bondedto( attr rmsd <  114.876  and attr rmsd > 114.276  )) 
     ( attr rmsd < 1.4  and attr rmsd > 1.34  ) 
  6 6 0  peak  9701  volume  5.29140 ppm1  9.843  ppm2  1.370
assi (( attr rmsd < 8.037  and attr rmsd >  7.977  ) 
  and bondedto( attr rmsd <  124.77  and attr rmsd > 124.17  )) 
     ( attr rmsd < 3.208  and attr rmsd > 3.148  ) 
  6 6 0  peak  9711  volume  7.12150 ppm1  8.007  ppm2  3.178
assi (( attr rmsd < 7.537  and attr rmsd >  7.477  ) 
  and bondedto( attr rmsd <  109.321  and attr rmsd > 108.721  )) 
     ( attr rmsd < 2.138  and attr rmsd > 2.078  ) 
  6 6 0  peak  9741  volume  44.09460 ppm1  7.507  ppm2  2.108
assi (( attr rmsd < 8.392  and attr rmsd >  8.332  ) 
  and bondedto( attr rmsd <  112.966  and attr rmsd > 112.366  )) 
     ( attr rmsd < 7.794  and attr rmsd > 7.734  ) 
  6 6 0  peak  9751  volume  7.34690 ppm1  8.362  ppm2  7.764
assi (( attr rmsd < 8.392  and attr rmsd >  8.332  ) 
  and bondedto( attr rmsd <  112.966  and attr rmsd > 112.366  )) 
     ( attr rmsd < 3.477  and attr rmsd > 3.417  ) 
  6 6 0  peak  9761  volume  6.06070 ppm1  8.362  ppm2  3.447
assi (( attr rmsd < 9.103  and attr rmsd >  9.043  ) 
  and bondedto( attr rmsd <  128.936  and attr rmsd > 128.336  )) 
     ( attr rmsd < 0.739  and attr rmsd > 0.679  ) 
  6 6 0  peak  9771  volume  16.59020 ppm1  9.073  ppm2  0.709
assi (( attr rmsd < 7.952  and attr rmsd >  7.892  ) 
  and bondedto( attr rmsd <  117.306  and attr rmsd > 116.706  )) 
     ( attr rmsd < 9.168  and attr rmsd > 9.108  ) 
  6 6 0  peak  9781  volume  26.76430 ppm1  7.922  ppm2  9.138
assi (( attr rmsd < 7.952  and attr rmsd >  7.892  ) 
  and bondedto( attr rmsd <  117.306  and attr rmsd > 116.706  )) 
     ( attr rmsd < 2.621  and attr rmsd > 2.561  ) 
  6 6 0  peak  9791  volume  14.77810 ppm1  7.922  ppm2  2.591
assi (( attr rmsd < 7.952  and attr rmsd >  7.892  ) 
  and bondedto( attr rmsd <  117.306  and attr rmsd > 116.706  )) 
     ( attr rmsd < 2.271  and attr rmsd > 2.211  ) 
  6 6 0  peak  9801  volume  39.97790 ppm1  7.922  ppm2  2.241
assi (( attr rmsd < 8.012  and attr rmsd >  7.952  ) 
  and bondedto( attr rmsd <  127.2  and attr rmsd > 126.6  )) 
     ( attr rmsd < 2.46  and attr rmsd > 2.4  ) 
  6 6 0  peak  9811  volume  12.33820 ppm1  7.982  ppm2  2.430
assi (( attr rmsd < 8.012  and attr rmsd >  7.952  ) 
  and bondedto( attr rmsd <  127.2  and attr rmsd > 126.6  )) 
     ( attr rmsd < 0.904  and attr rmsd > 0.844  ) 
  6 6 0  peak  9821  volume  27.21960 ppm1  7.982  ppm2  0.874
assi (( attr rmsd < 8.383  and attr rmsd >  8.323  ) 
  and bondedto( attr rmsd <  129.804  and attr rmsd > 129.204  )) 
     ( attr rmsd < 1.215  and attr rmsd > 1.155  ) 
  6 6 0  peak  9831  volume  13.37090 ppm1  8.353  ppm2  1.185
assi (( attr rmsd < 8.865  and attr rmsd >  8.805  ) 
  and bondedto( attr rmsd <  115.223  and attr rmsd > 114.623  )) 
     ( attr rmsd < 2.295  and attr rmsd > 2.235  ) 
  6 6 0  peak  9841  volume  31.09350 ppm1  8.835  ppm2  2.265
assi (( attr rmsd < 8.505  and attr rmsd >  8.445  ) 
  and bondedto( attr rmsd <  109.494  and attr rmsd > 108.894  )) 
     ( attr rmsd < 2.053  and attr rmsd > 1.993  ) 
  6 6 0  peak  9851  volume  16.45960 ppm1  8.475  ppm2  2.023
assi (( attr rmsd < 8.037  and attr rmsd >  7.977  ) 
  and bondedto( attr rmsd <  124.77  and attr rmsd > 124.17  )) 
     ( attr rmsd < 1.942  and attr rmsd > 1.882  ) 
  6 6 0  peak  9861  volume  9.81970 ppm1  8.007  ppm2  1.912
assi (( attr rmsd < 9.216  and attr rmsd >  9.156  ) 
  and bondedto( attr rmsd <  124.249  and attr rmsd > 123.649  )) 
     ( attr rmsd < 1.092  and attr rmsd > 1.032  ) 
  6 6 0  peak  9871  volume  25.25590 ppm1  9.186  ppm2  1.062
assi (( attr rmsd < 8.961  and attr rmsd >  8.901  ) 
  and bondedto( attr rmsd <  109.668  and attr rmsd > 109.068  )) 
     ( attr rmsd < 8.568  and attr rmsd > 8.508  ) 
  6 6 0  peak  9881  volume  22.25980 ppm1  8.931  ppm2  8.538
assi (( attr rmsd < 8.961  and attr rmsd >  8.901  ) 
  and bondedto( attr rmsd <  109.668  and attr rmsd > 109.068  )) 
     ( attr rmsd < 0.516  and attr rmsd > 0.456  ) 
  6 6 0  peak  9891  volume  11.51860 ppm1  8.931  ppm2  0.486
assi (( attr rmsd < 9.48  and attr rmsd >  9.42  ) 
  and bondedto( attr rmsd <  120.604  and attr rmsd > 120.004  )) 
     ( attr rmsd < 5.974  and attr rmsd > 5.914  ) 
  6 6 0  peak  9901  volume  13.81360 ppm1  9.450  ppm2  5.944
assi (( attr rmsd < 8.64  and attr rmsd >  8.58  ) 
  and bondedto( attr rmsd <  124.076  and attr rmsd > 123.476  )) 
     ( attr rmsd < 9.549  and attr rmsd > 9.489  ) 
  6 6 0  peak  9911  volume  10.54690 ppm1  8.610  ppm2  9.519
assi (( attr rmsd < 8.549  and attr rmsd >  8.489  ) 
  and bondedto( attr rmsd <  122.86  and attr rmsd > 122.26  )) 
     ( attr rmsd < 5.804  and attr rmsd > 5.744  ) 
  6 6 0  peak  9921  volume  19.13470 ppm1  8.519  ppm2  5.774
assi (( attr rmsd < 8.52  and attr rmsd >  8.46  ) 
  and bondedto( attr rmsd <  115.917  and attr rmsd > 115.317  )) 
     ( attr rmsd < 6.513  and attr rmsd > 6.453  ) 
  6 6 0  peak  9931  volume  22.27850 ppm1  8.490  ppm2  6.483
assi (( attr rmsd < 8.52  and attr rmsd >  8.46  ) 
  and bondedto( attr rmsd <  115.917  and attr rmsd > 115.317  )) 
     ( attr rmsd < 2.83  and attr rmsd > 2.77  ) 
  6 6 0  peak  9941  volume  7.19010 ppm1  8.490  ppm2  2.800
assi (( attr rmsd < 8.52  and attr rmsd >  8.46  ) 
  and bondedto( attr rmsd <  115.917  and attr rmsd > 115.317  )) 
     ( attr rmsd < 1.998  and attr rmsd > 1.938  ) 
  6 6 0  peak  9951  volume  24.80080 ppm1  8.490  ppm2  1.968
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  112.272  and attr rmsd > 111.672  )) 
     ( attr rmsd < 9.253  and attr rmsd > 9.193  ) 
  6 6 0  peak  9961  volume  8.94660 ppm1  8.117  ppm2  9.223
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  112.272  and attr rmsd > 111.672  )) 
     ( attr rmsd < 5.175  and attr rmsd > 5.115  ) 
  6 6 0  peak  9971  volume  8.70240 ppm1  8.117  ppm2  5.145
assi (( attr rmsd < 8.745  and attr rmsd >  8.685  ) 
  and bondedto( attr rmsd <  114.181  and attr rmsd > 113.581  )) 
     ( attr rmsd < 2.717  and attr rmsd > 2.657  ) 
  6 6 0  peak  9981  volume  13.84090 ppm1  8.715  ppm2  2.687
assi (( attr rmsd < 8.745  and attr rmsd >  8.685  ) 
  and bondedto( attr rmsd <  114.181  and attr rmsd > 113.581  )) 
     ( attr rmsd < 2.508  and attr rmsd > 2.448  ) 
  6 6 0  peak  9991  volume  14.18120 ppm1  8.715  ppm2  2.478
assi (( attr rmsd < 8.534  and attr rmsd >  8.474  ) 
  and bondedto( attr rmsd <  114.181  and attr rmsd > 113.581  )) 
     ( attr rmsd < 2.532  and attr rmsd > 2.472  ) 
  6 6 0  peak  10001  volume  23.53830 ppm1  8.504  ppm2  2.502
assi (( attr rmsd < 9.431  and attr rmsd >  9.371  ) 
  and bondedto( attr rmsd <  122.687  and attr rmsd > 122.087  )) 
     ( attr rmsd < 6.311  and attr rmsd > 6.251  ) 
  6 6 0  peak  10011  volume  10.00370 ppm1  9.401  ppm2  6.281
assi (( attr rmsd < 9.431  and attr rmsd >  9.371  ) 
  and bondedto( attr rmsd <  122.687  and attr rmsd > 122.087  )) 
     ( attr rmsd < 3.93  and attr rmsd > 3.87  ) 
  6 6 0  peak  10021  volume  13.10940 ppm1  9.401  ppm2  3.900
assi (( attr rmsd < 9.431  and attr rmsd >  9.371  ) 
  and bondedto( attr rmsd <  122.687  and attr rmsd > 122.087  )) 
     ( attr rmsd < 1.534  and attr rmsd > 1.474  ) 
  6 6 0  peak  10031  volume  71.10450 ppm1  9.401  ppm2  1.504
assi (( attr rmsd < 7.669  and attr rmsd >  7.609  ) 
  and bondedto( attr rmsd <  116.264  and attr rmsd > 115.664  )) 
     ( attr rmsd < 8.01  and attr rmsd > 7.95  ) 
  6 6 0  peak  10041  volume  17.42120 ppm1  7.639  ppm2  7.980
assi (( attr rmsd < 7.669  and attr rmsd >  7.609  ) 
  and bondedto( attr rmsd <  116.264  and attr rmsd > 115.664  )) 
     ( attr rmsd < 4.739  and attr rmsd > 4.679  ) 
  6 6 0  peak  10051  volume  25.81820 ppm1  7.639  ppm2  4.709
assi (( attr rmsd < 7.669  and attr rmsd >  7.609  ) 
  and bondedto( attr rmsd <  116.264  and attr rmsd > 115.664  )) 
     ( attr rmsd < 2.054  and attr rmsd > 1.994  ) 
  6 6 0  peak  10061  volume  11.18090 ppm1  7.639  ppm2  2.024
assi (( attr rmsd < 7.669  and attr rmsd >  7.609  ) 
  and bondedto( attr rmsd <  116.264  and attr rmsd > 115.664  )) 
     ( attr rmsd < 1.238  and attr rmsd > 1.178  ) 
  6 6 0  peak  10071  volume  40.49070 ppm1  7.639  ppm2  1.208
assi (( attr rmsd < 10.677  and attr rmsd >  10.617  ) 
  and bondedto( attr rmsd <  120.951  and attr rmsd > 120.351  )) 
     ( attr rmsd < 1.759  and attr rmsd > 1.699  ) 
  6 6 0  peak  10081  volume  12.31620 ppm1  10.647  ppm2  1.729
assi (( attr rmsd < 8.597  and attr rmsd >  8.537  ) 
  and bondedto( attr rmsd <  116.091  and attr rmsd > 115.491  )) 
     ( attr rmsd < 2.668  and attr rmsd > 2.608  ) 
  6 6 0  peak  10091  volume  16.31770 ppm1  8.567  ppm2  2.638
assi (( attr rmsd < 8.435  and attr rmsd >  8.375  ) 
  and bondedto( attr rmsd <  120.43  and attr rmsd > 119.83  )) 
     ( attr rmsd < 0.303  and attr rmsd > 0.243  ) 
  6 6 0  peak  10101  volume  7.24230 ppm1  8.405  ppm2  0.273
assi (( attr rmsd < 9.441  and attr rmsd >  9.381  ) 
  and bondedto( attr rmsd <  120.604  and attr rmsd > 120.004  )) 
     ( attr rmsd < 6.827  and attr rmsd > 6.767  ) 
  6 6 0  peak  10141  volume  13.95940 ppm1  9.411  ppm2  6.797
assi (( attr rmsd < 9.441  and attr rmsd >  9.381  ) 
  and bondedto( attr rmsd <  120.604  and attr rmsd > 120.004  )) 
     ( attr rmsd < 0.925  and attr rmsd > 0.865  ) 
  6 6 0  peak  10151  volume  22.97570 ppm1  9.411  ppm2  0.895
assi (( attr rmsd < 9.441  and attr rmsd >  9.381  ) 
  and bondedto( attr rmsd <  120.604  and attr rmsd > 120.004  )) 
     ( attr rmsd < 0.16  and attr rmsd > 0.1  ) 
  6 6 0  peak  10161  volume  25.22130 ppm1  9.411  ppm2  0.130
assi (( attr rmsd < 8.424  and attr rmsd >  8.364  ) 
  and bondedto( attr rmsd <  118.868  and attr rmsd > 118.268  )) 
     ( attr rmsd < 2.376  and attr rmsd > 2.316  ) 
  6 6 0  peak  10171  volume  324.04150 ppm1  8.394  ppm2  2.346
assi (( attr rmsd < 7.7  and attr rmsd >  7.64  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 8.963  and attr rmsd > 8.903  ) 
  6 6 0  peak  10191  volume  12.13360 ppm1  7.670  ppm2  8.933
assi (( attr rmsd < 7.7  and attr rmsd >  7.64  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 8.781  and attr rmsd > 8.721  ) 
  6 6 0  peak  10201  volume  13.90730 ppm1  7.670  ppm2  8.751
assi (( attr rmsd < 7.7  and attr rmsd >  7.64  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 6.293  and attr rmsd > 6.233  ) 
  6 6 0  peak  10211  volume  13.32800 ppm1  7.670  ppm2  6.263
assi (( attr rmsd < 7.7  and attr rmsd >  7.64  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 2.991  and attr rmsd > 2.931  ) 
  6 6 0  peak  10221  volume  29.90950 ppm1  7.670  ppm2  2.961
assi (( attr rmsd < 7.7  and attr rmsd >  7.64  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 3.244  and attr rmsd > 3.184  ) 
  6 6 0  peak  10231  volume  17.20970 ppm1  7.670  ppm2  3.214
assi (( attr rmsd < 7.7  and attr rmsd >  7.64  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 1.799  and attr rmsd > 1.739  ) 
  6 6 0  peak  10241  volume  29.57580 ppm1  7.670  ppm2  1.769
assi (( attr rmsd < 7.7  and attr rmsd >  7.64  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 1.984  and attr rmsd > 1.924  ) 
  6 6 0  peak  10251  volume  32.46850 ppm1  7.670  ppm2  1.954
assi (( attr rmsd < 7.031  and attr rmsd >  6.971  ) 
  and bondedto( attr rmsd <  118  and attr rmsd > 117.4  )) 
     ( attr rmsd < 4.739  and attr rmsd > 4.679  ) 
  6 6 0  peak  10261  volume  17.19220 ppm1  7.001  ppm2  4.709
assi (( attr rmsd < 7.031  and attr rmsd >  6.971  ) 
  and bondedto( attr rmsd <  118  and attr rmsd > 117.4  )) 
     ( attr rmsd < 5.553  and attr rmsd > 5.493  ) 
  6 6 0  peak  10271  volume  16.39850 ppm1  7.001  ppm2  5.523
assi (( attr rmsd < 7.031  and attr rmsd >  6.971  ) 
  and bondedto( attr rmsd <  118  and attr rmsd > 117.4  )) 
     ( attr rmsd < 6.03  and attr rmsd > 5.97  ) 
  6 6 0  peak  10281  volume  14.55400 ppm1  7.001  ppm2  6.000
assi (( attr rmsd < 7.031  and attr rmsd >  6.971  ) 
  and bondedto( attr rmsd <  118  and attr rmsd > 117.4  )) 
     ( attr rmsd < 3.216  and attr rmsd > 3.156  ) 
  6 6 0  peak  10291  volume  26.35690 ppm1  7.001  ppm2  3.186
assi (( attr rmsd < 7.031  and attr rmsd >  6.971  ) 
  and bondedto( attr rmsd <  118  and attr rmsd > 117.4  )) 
     ( attr rmsd < 0.909  and attr rmsd > 0.849  ) 
  6 6 0  peak  10301  volume  22.07500 ppm1  7.001  ppm2  0.879
assi (( attr rmsd < 7.832  and attr rmsd >  7.772  ) 
  and bondedto( attr rmsd <  127.547  and attr rmsd > 126.947  )) 
     ( attr rmsd < 2.422  and attr rmsd > 2.362  ) 
  6 6 0  peak  10311  volume  48.60910 ppm1  7.802  ppm2  2.392
assi (( attr rmsd < 7.433  and attr rmsd >  7.373  ) 
  and bondedto( attr rmsd <  121.125  and attr rmsd > 120.525  )) 
     ( attr rmsd < 1.492  and attr rmsd > 1.432  ) 
  6 6 0  peak  10321  volume  21.77270 ppm1  7.403  ppm2  1.462
assi (( attr rmsd < 8.179  and attr rmsd >  8.119  ) 
  and bondedto( attr rmsd <  122.34  and attr rmsd > 121.74  )) 
     ( attr rmsd < 0.667  and attr rmsd > 0.607  ) 
  6 6 0  peak  10331  volume  6.27000 ppm1  8.149  ppm2  0.637
assi (( attr rmsd < 9.181  and attr rmsd >  9.121  ) 
  and bondedto( attr rmsd <  112.445  and attr rmsd > 111.845  )) 
     ( attr rmsd < 8.331  and attr rmsd > 8.271  ) 
  6 6 0  peak  10351  volume  9.18200 ppm1  9.151  ppm2  8.301
assi (( attr rmsd < 9.181  and attr rmsd >  9.121  ) 
  and bondedto( attr rmsd <  112.445  and attr rmsd > 111.845  )) 
     ( attr rmsd < 7.255  and attr rmsd > 7.195  ) 
  6 6 0  peak  10361  volume  5.17410 ppm1  9.151  ppm2  7.225
assi (( attr rmsd < 9.531  and attr rmsd >  9.471  ) 
  and bondedto( attr rmsd <  119.562  and attr rmsd > 118.962  )) 
     ( attr rmsd < 0.459  and attr rmsd > 0.399  ) 
  6 6 0  peak  10371  volume  18.11690 ppm1  9.501  ppm2  0.429
assi (( attr rmsd < 9.531  and attr rmsd >  9.471  ) 
  and bondedto( attr rmsd <  119.562  and attr rmsd > 118.962  )) 
     ( attr rmsd < 2.509  and attr rmsd > 2.449  ) 
  6 6 0  peak  10381  volume  8.01490 ppm1  9.501  ppm2  2.479
assi (( attr rmsd < 9.531  and attr rmsd >  9.471  ) 
  and bondedto( attr rmsd <  119.562  and attr rmsd > 118.962  )) 
     ( attr rmsd < 2.739  and attr rmsd > 2.679  ) 
  6 6 0  peak  10391  volume  6.31900 ppm1  9.501  ppm2  2.709
assi (( attr rmsd < 9.531  and attr rmsd >  9.471  ) 
  and bondedto( attr rmsd <  119.562  and attr rmsd > 118.962  )) 
     ( attr rmsd < 3.829  and attr rmsd > 3.769  ) 
  6 6 0  peak  10401  volume  8.30310 ppm1  9.501  ppm2  3.799
assi (( attr rmsd < 7.856  and attr rmsd >  7.796  ) 
  and bondedto( attr rmsd <  117.653  and attr rmsd > 117.053  )) 
     ( attr rmsd < 5.433  and attr rmsd > 5.373  ) 
  6 6 0  peak  10411  volume  33.94750 ppm1  7.826  ppm2  5.403
assi (( attr rmsd < 8.79  and attr rmsd >  8.73  ) 
  and bondedto( attr rmsd <  119.91  and attr rmsd > 119.31  )) 
     ( attr rmsd < 7.271  and attr rmsd > 7.211  ) 
  6 6 0  peak  10451  volume  26.67180 ppm1  8.760  ppm2  7.241
assi (( attr rmsd < 8.79  and attr rmsd >  8.73  ) 
  and bondedto( attr rmsd <  119.91  and attr rmsd > 119.31  )) 
     ( attr rmsd < 2.71  and attr rmsd > 2.65  ) 
  6 6 0  peak  10461  volume  12.85430 ppm1  8.760  ppm2  2.680
assi (( attr rmsd < 8.79  and attr rmsd >  8.73  ) 
  and bondedto( attr rmsd <  119.91  and attr rmsd > 119.31  )) 
     ( attr rmsd < 0.574  and attr rmsd > 0.514  ) 
  6 6 0  peak  10481  volume  21.32410 ppm1  8.760  ppm2  0.544
assi (( attr rmsd < 8.79  and attr rmsd >  8.73  ) 
  and bondedto( attr rmsd <  119.91  and attr rmsd > 119.31  )) 
     ( attr rmsd < -0.285  and attr rmsd > -0.345  ) 
  6 6 0  peak  10491  volume  24.32860 ppm1  8.760  ppm2  -0.315
assi (( attr rmsd < 9.278  and attr rmsd >  9.218  ) 
  and bondedto( attr rmsd <  128.415  and attr rmsd > 127.815  )) 
     ( attr rmsd < 7.02  and attr rmsd > 6.96  ) 
  6 6 0  peak  10501  volume  8.50490 ppm1  9.248  ppm2  6.990
assi (( attr rmsd < 9.278  and attr rmsd >  9.218  ) 
  and bondedto( attr rmsd <  128.415  and attr rmsd > 127.815  )) 
     ( attr rmsd < 8.032  and attr rmsd > 7.972  ) 
  6 6 0  peak  10511  volume  15.57090 ppm1  9.248  ppm2  8.002
assi (( attr rmsd < 9.278  and attr rmsd >  9.218  ) 
  and bondedto( attr rmsd <  128.415  and attr rmsd > 127.815  )) 
     ( attr rmsd < 8.308  and attr rmsd > 8.248  ) 
  6 6 0  peak  10521  volume  7.87220 ppm1  9.248  ppm2  8.278
assi (( attr rmsd < 9.278  and attr rmsd >  9.218  ) 
  and bondedto( attr rmsd <  128.415  and attr rmsd > 127.815  )) 
     ( attr rmsd < 8.766  and attr rmsd > 8.706  ) 
  6 6 0  peak  10531  volume  7.39660 ppm1  9.248  ppm2  8.736
assi (( attr rmsd < 9.278  and attr rmsd >  9.218  ) 
  and bondedto( attr rmsd <  128.415  and attr rmsd > 127.815  )) 
     ( attr rmsd < 2.708  and attr rmsd > 2.648  ) 
  6 6 0  peak  10541  volume  8.26560 ppm1  9.248  ppm2  2.678
assi (( attr rmsd < 9.278  and attr rmsd >  9.218  ) 
  and bondedto( attr rmsd <  128.415  and attr rmsd > 127.815  )) 
     ( attr rmsd < 2.007  and attr rmsd > 1.947  ) 
  6 6 0  peak  10551  volume  23.93730 ppm1  9.248  ppm2  1.977
assi (( attr rmsd < 9.278  and attr rmsd >  9.218  ) 
  and bondedto( attr rmsd <  128.415  and attr rmsd > 127.815  )) 
     ( attr rmsd < 1.171  and attr rmsd > 1.111  ) 
  6 6 0  peak  10561  volume  47.24480 ppm1  9.248  ppm2  1.141
assi (( attr rmsd < 9.278  and attr rmsd >  9.218  ) 
  and bondedto( attr rmsd <  128.415  and attr rmsd > 127.815  )) 
     ( attr rmsd < 0.587  and attr rmsd > 0.527  ) 
  6 6 0  peak  10571  volume  42.75990 ppm1  9.248  ppm2  0.557
assi (( attr rmsd < 8.575  and attr rmsd >  8.515  ) 
  and bondedto( attr rmsd <  128.068  and attr rmsd > 127.468  )) 
     ( attr rmsd < 5.834  and attr rmsd > 5.774  ) 
  6 6 0  peak  10581  volume  6.65960 ppm1  8.545  ppm2  5.804
assi (( attr rmsd < 8.575  and attr rmsd >  8.515  ) 
  and bondedto( attr rmsd <  128.068  and attr rmsd > 127.468  )) 
     ( attr rmsd < 3.234  and attr rmsd > 3.174  ) 
  6 6 0  peak  10591  volume  8.66670 ppm1  8.545  ppm2  3.204
assi (( attr rmsd < 8.575  and attr rmsd >  8.515  ) 
  and bondedto( attr rmsd <  128.068  and attr rmsd > 127.468  )) 
     ( attr rmsd < 3.461  and attr rmsd > 3.401  ) 
  6 6 0  peak  10601  volume  16.41360 ppm1  8.545  ppm2  3.431
assi (( attr rmsd < 8.575  and attr rmsd >  8.515  ) 
  and bondedto( attr rmsd <  128.068  and attr rmsd > 127.468  )) 
     ( attr rmsd < 2.486  and attr rmsd > 2.426  ) 
  6 6 0  peak  10611  volume  12.42200 ppm1  8.545  ppm2  2.456
assi (( attr rmsd < 8.802  and attr rmsd >  8.742  ) 
  and bondedto( attr rmsd <  125.638  and attr rmsd > 125.038  )) 
     ( attr rmsd < 9.273  and attr rmsd > 9.213  ) 
  6 6 0  peak  10621  volume  14.04630 ppm1  8.772  ppm2  9.243
assi (( attr rmsd < 8.019  and attr rmsd >  7.959  ) 
  and bondedto( attr rmsd <  121.993  and attr rmsd > 121.393  )) 
     ( attr rmsd < 9.672  and attr rmsd > 9.612  ) 
  6 6 0  peak  10631  volume  12.13400 ppm1  7.989  ppm2  9.642
assi (( attr rmsd < 8.019  and attr rmsd >  7.959  ) 
  and bondedto( attr rmsd <  121.993  and attr rmsd > 121.393  )) 
     ( attr rmsd < 10.367  and attr rmsd > 10.307  ) 
  6 6 0  peak  10641  volume  12.45740 ppm1  7.989  ppm2  10.337
assi (( attr rmsd < 8.019  and attr rmsd >  7.959  ) 
  and bondedto( attr rmsd <  121.993  and attr rmsd > 121.393  )) 
     ( attr rmsd < 3.152  and attr rmsd > 3.092  ) 
  6 6 0  peak  10651  volume  16.64660 ppm1  7.989  ppm2  3.122
assi (( attr rmsd < 8.019  and attr rmsd >  7.959  ) 
  and bondedto( attr rmsd <  121.993  and attr rmsd > 121.393  )) 
     ( attr rmsd < 1.676  and attr rmsd > 1.616  ) 
  6 6 0  peak  10661  volume  79.45820 ppm1  7.989  ppm2  1.646
assi (( attr rmsd < 8.937  and attr rmsd >  8.877  ) 
  and bondedto( attr rmsd <  113.487  and attr rmsd > 112.887  )) 
     ( attr rmsd < -0.373  and attr rmsd > -0.433  ) 
  6 6 0  peak  10671  volume  13.06560 ppm1  8.907  ppm2  -0.403
assi (( attr rmsd < 6.797  and attr rmsd >  6.737  ) 
  and bondedto( attr rmsd <  117.306  and attr rmsd > 116.706  )) 
     ( attr rmsd < 3.76  and attr rmsd > 3.7  ) 
  6 6 0  peak  10681  volume  20.30470 ppm1  6.767  ppm2  3.730
assi (( attr rmsd < 6.797  and attr rmsd >  6.737  ) 
  and bondedto( attr rmsd <  117.306  and attr rmsd > 116.706  )) 
     ( attr rmsd < -0.098  and attr rmsd > -0.158  ) 
  6 6 0  peak  10691  volume  18.68410 ppm1  6.767  ppm2  -0.128
assi (( attr rmsd < 8.653  and attr rmsd >  8.593  ) 
  and bondedto( attr rmsd <  120.43  and attr rmsd > 119.83  )) 
     ( attr rmsd < 3.006  and attr rmsd > 2.946  ) 
  6 6 0  peak  10701  volume  7.24070 ppm1  8.623  ppm2  2.976
assi (( attr rmsd < 8.653  and attr rmsd >  8.593  ) 
  and bondedto( attr rmsd <  126.853  and attr rmsd > 126.253  )) 
     ( attr rmsd < 9.253  and attr rmsd > 9.193  ) 
  6 6 0  peak  10711  volume  18.73900 ppm1  8.623  ppm2  9.223
assi (( attr rmsd < 8.653  and attr rmsd >  8.593  ) 
  and bondedto( attr rmsd <  126.853  and attr rmsd > 126.253  )) 
     ( attr rmsd < 7.03  and attr rmsd > 6.97  ) 
  6 6 0  peak  10721  volume  10.28010 ppm1  8.623  ppm2  7.000
assi (( attr rmsd < 8.653  and attr rmsd >  8.593  ) 
  and bondedto( attr rmsd <  126.853  and attr rmsd > 126.253  )) 
     ( attr rmsd < 7.958  and attr rmsd > 7.898  ) 
  6 6 0  peak  10731  volume  8.39520 ppm1  8.623  ppm2  7.928
assi (( attr rmsd < 8.418  and attr rmsd >  8.358  ) 
  and bondedto( attr rmsd <  112.966  and attr rmsd > 112.366  )) 
     ( attr rmsd < 1.804  and attr rmsd > 1.744  ) 
  6 6 0  peak  10741  volume  11.77880 ppm1  8.388  ppm2  1.774
assi (( attr rmsd < 8.418  and attr rmsd >  8.358  ) 
  and bondedto( attr rmsd <  112.966  and attr rmsd > 112.366  )) 
     ( attr rmsd < 1.105  and attr rmsd > 1.045  ) 
  6 6 0  peak  10751  volume  26.83930 ppm1  8.388  ppm2  1.075
assi (( attr rmsd < 8.418  and attr rmsd >  8.358  ) 
  and bondedto( attr rmsd <  112.966  and attr rmsd > 112.366  )) 
     ( attr rmsd < 2.216  and attr rmsd > 2.156  ) 
  6 6 0  peak  10761  volume  11.01100 ppm1  8.388  ppm2  2.186
assi (( attr rmsd < 8.333  and attr rmsd >  8.273  ) 
  and bondedto( attr rmsd <  123.381  and attr rmsd > 122.781  )) 
     ( attr rmsd < -0.056  and attr rmsd > -0.116  ) 
  6 6 0  peak  10791  volume  11.71230 ppm1  8.303  ppm2  -0.086
assi (( attr rmsd < 9.094  and attr rmsd >  9.034  ) 
  and bondedto( attr rmsd <  116.785  and attr rmsd > 116.185  )) 
     ( attr rmsd < 9.921  and attr rmsd > 9.861  ) 
  6 6 0  peak  10801  volume  17.44500 ppm1  9.064  ppm2  9.891
assi (( attr rmsd < 9.094  and attr rmsd >  9.034  ) 
  and bondedto( attr rmsd <  116.785  and attr rmsd > 116.185  )) 
     ( attr rmsd < 8.257  and attr rmsd > 8.197  ) 
  6 6 0  peak  10811  volume  4.99200 ppm1  9.064  ppm2  8.227
assi (( attr rmsd < 9.094  and attr rmsd >  9.034  ) 
  and bondedto( attr rmsd <  116.785  and attr rmsd > 116.185  )) 
     ( attr rmsd < 7.526  and attr rmsd > 7.466  ) 
  6 6 0  peak  10821  volume  14.19590 ppm1  9.064  ppm2  7.496
assi (( attr rmsd < 9.094  and attr rmsd >  9.034  ) 
  and bondedto( attr rmsd <  116.785  and attr rmsd > 116.185  )) 
     ( attr rmsd < 2.571  and attr rmsd > 2.511  ) 
  6 6 0  peak  10831  volume  21.65050 ppm1  9.064  ppm2  2.541
assi (( attr rmsd < 9.094  and attr rmsd >  9.034  ) 
  and bondedto( attr rmsd <  116.785  and attr rmsd > 116.185  )) 
     ( attr rmsd < 0.453  and attr rmsd > 0.393  ) 
  6 6 0  peak  10841  volume  61.99900 ppm1  9.064  ppm2  0.423
assi (( attr rmsd < 8.779  and attr rmsd >  8.719  ) 
  and bondedto( attr rmsd <  122.86  and attr rmsd > 122.26  )) 
     ( attr rmsd < 4.009  and attr rmsd > 3.949  ) 
  6 6 0  peak  10861  volume  8.07150 ppm1  8.749  ppm2  3.979
assi (( attr rmsd < 8.351  and attr rmsd >  8.291  ) 
  and bondedto( attr rmsd <  121.819  and attr rmsd > 121.219  )) 
     ( attr rmsd < -0.217  and attr rmsd > -0.277  ) 
  6 6 0  peak  10881  volume  20.43080 ppm1  8.321  ppm2  -0.247
assi (( attr rmsd < 9.04  and attr rmsd >  8.98  ) 
  and bondedto( attr rmsd <  115.57  and attr rmsd > 114.97  )) 
     ( attr rmsd < 0.351  and attr rmsd > 0.291  ) 
  6 6 0  peak  10901  volume  16.78210 ppm1  9.010  ppm2  0.321
assi (( attr rmsd < 8.457  and attr rmsd >  8.397  ) 
  and bondedto( attr rmsd <  122.513  and attr rmsd > 121.913  )) 
     ( attr rmsd < 4.105  and attr rmsd > 4.045  ) 
  6 6 0  peak  10921  volume  11.59780 ppm1  8.427  ppm2  4.075
assi (( attr rmsd < 8.457  and attr rmsd >  8.397  ) 
  and bondedto( attr rmsd <  122.513  and attr rmsd > 121.913  )) 
     ( attr rmsd < 1.534  and attr rmsd > 1.474  ) 
  6 6 0  peak  10931  volume  15.78250 ppm1  8.427  ppm2  1.504
assi (( attr rmsd < 8.053  and attr rmsd >  7.993  ) 
  and bondedto( attr rmsd <  118.521  and attr rmsd > 117.921  )) 
     ( attr rmsd < 8.965  and attr rmsd > 8.905  ) 
  6 6 0  peak  10941  volume  8.03860 ppm1  8.023  ppm2  8.935
assi (( attr rmsd < 9.309  and attr rmsd >  9.249  ) 
  and bondedto( attr rmsd <  108.627  and attr rmsd > 108.027  )) 
     ( attr rmsd < 6.417  and attr rmsd > 6.357  ) 
  6 6 0  peak  10951  volume  18.29100 ppm1  9.279  ppm2  6.387
assi (( attr rmsd < 9.309  and attr rmsd >  9.249  ) 
  and bondedto( attr rmsd <  108.627  and attr rmsd > 108.027  )) 
     ( attr rmsd < 7.262  and attr rmsd > 7.202  ) 
  6 6 0  peak  10961  volume  22.64040 ppm1  9.279  ppm2  7.232
assi (( attr rmsd < 8.61  and attr rmsd >  8.55  ) 
  and bondedto( attr rmsd <  122.86  and attr rmsd > 122.26  )) 
     ( attr rmsd < 2.022  and attr rmsd > 1.962  ) 
  6 6 0  peak  10981  volume  54.26890 ppm1  8.580  ppm2  1.992
assi (( attr rmsd < 8.61  and attr rmsd >  8.55  ) 
  and bondedto( attr rmsd <  122.86  and attr rmsd > 122.26  )) 
     ( attr rmsd < -0.281  and attr rmsd > -0.341  ) 
  6 6 0  peak  11021  volume  8.95670 ppm1  8.580  ppm2  -0.311
assi (( attr rmsd < 8.61  and attr rmsd >  8.55  ) 
  and bondedto( attr rmsd <  122.86  and attr rmsd > 122.26  )) 
     ( attr rmsd < -0.046  and attr rmsd > -0.106  ) 
  6 6 0  peak  11031  volume  8.54090 ppm1  8.580  ppm2  -0.076
assi (( attr rmsd < 8.383  and attr rmsd >  8.323  ) 
  and bondedto( attr rmsd <  121.472  and attr rmsd > 120.872  )) 
     ( attr rmsd < 5.651  and attr rmsd > 5.591  ) 
  6 6 0  peak  11041  volume  6.02840 ppm1  8.353  ppm2  5.621
assi (( attr rmsd < 8.383  and attr rmsd >  8.323  ) 
  and bondedto( attr rmsd <  121.472  and attr rmsd > 120.872  )) 
     ( attr rmsd < 2.31  and attr rmsd > 2.25  ) 
  6 6 0  peak  11061  volume  63.79140 ppm1  8.353  ppm2  2.280
assi (( attr rmsd < 8.383  and attr rmsd >  8.323  ) 
  and bondedto( attr rmsd <  121.472  and attr rmsd > 120.872  )) 
     ( attr rmsd < 2.103  and attr rmsd > 2.043  ) 
  6 6 0  peak  11071  volume  49.26450 ppm1  8.353  ppm2  2.073
assi (( attr rmsd < 8.383  and attr rmsd >  8.323  ) 
  and bondedto( attr rmsd <  121.472  and attr rmsd > 120.872  )) 
     ( attr rmsd < -0.179  and attr rmsd > -0.239  ) 
  6 6 0  peak  11081  volume  11.84710 ppm1  8.353  ppm2  -0.209
assi (( attr rmsd < 8.955  and attr rmsd >  8.895  ) 
  and bondedto( attr rmsd <  122.687  and attr rmsd > 122.087  )) 
     ( attr rmsd < 8.003  and attr rmsd > 7.943  ) 
  6 6 0  peak  11101  volume  18.59620 ppm1  8.925  ppm2  7.973
assi (( attr rmsd < 9.246  and attr rmsd >  9.186  ) 
  and bondedto( attr rmsd <  125.464  and attr rmsd > 124.864  )) 
     ( attr rmsd < 1.788  and attr rmsd > 1.728  ) 
  6 6 0  peak  11121  volume  34.81530 ppm1  9.216  ppm2  1.758
assi (( attr rmsd < 9.246  and attr rmsd >  9.186  ) 
  and bondedto( attr rmsd <  125.464  and attr rmsd > 124.864  )) 
     ( attr rmsd < -0.238  and attr rmsd > -0.298  ) 
  6 6 0  peak  11131  volume  13.15860 ppm1  9.216  ppm2  -0.268
assi (( attr rmsd < 9.246  and attr rmsd >  9.186  ) 
  and bondedto( attr rmsd <  125.464  and attr rmsd > 124.864  )) 
     ( attr rmsd < -0.072  and attr rmsd > -0.132  ) 
  6 6 0  peak  11141  volume  10.47140 ppm1  9.216  ppm2  -0.102
assi (( attr rmsd < 8.677  and attr rmsd >  8.617  ) 
  and bondedto( attr rmsd <  123.208  and attr rmsd > 122.608  )) 
     ( attr rmsd < 1.918  and attr rmsd > 1.858  ) 
  6 6 0  peak  11151  volume  43.63960 ppm1  8.647  ppm2  1.888
assi (( attr rmsd < 6.496  and attr rmsd >  6.436  ) 
  and bondedto( attr rmsd <  111.23  and attr rmsd > 110.63  )) 
     ( attr rmsd < 3.699  and attr rmsd > 3.639  ) 
  6 6 0  peak  11161  volume  49.29990 ppm1  6.466  ppm2  3.669
assi (( attr rmsd < 6.496  and attr rmsd >  6.436  ) 
  and bondedto( attr rmsd <  111.23  and attr rmsd > 110.63  )) 
     ( attr rmsd < 5.768  and attr rmsd > 5.708  ) 
  6 6 0  peak  11171  volume  7.63170 ppm1  6.466  ppm2  5.738
assi (( attr rmsd < 6.496  and attr rmsd >  6.436  ) 
  and bondedto( attr rmsd <  111.23  and attr rmsd > 110.63  )) 
     ( attr rmsd < 0.917  and attr rmsd > 0.857  ) 
  6 6 0  peak  11181  volume  83.67730 ppm1  6.466  ppm2  0.887
assi (( attr rmsd < 8.148  and attr rmsd >  8.088  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 7.716  and attr rmsd > 7.656  ) 
  6 6 0  peak  11201  volume  21.51030 ppm1  8.118  ppm2  7.686
assi (( attr rmsd < 8.148  and attr rmsd >  8.088  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 3.074  and attr rmsd > 3.014  ) 
  6 6 0  peak  11211  volume  6.56030 ppm1  8.118  ppm2  3.044
assi (( attr rmsd < 8.147  and attr rmsd >  8.087  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 0.225  and attr rmsd > 0.165  ) 
  6 6 0  peak  11221  volume  18.92960 ppm1  8.117  ppm2  0.195
assi (( attr rmsd < 9.059  and attr rmsd >  8.999  ) 
  and bondedto( attr rmsd <  117.826  and attr rmsd > 117.226  )) 
     ( attr rmsd < 9.644  and attr rmsd > 9.584  ) 
  6 6 0  peak  11231  volume  12.19570 ppm1  9.029  ppm2  9.614
assi (( attr rmsd < 9.059  and attr rmsd >  8.999  ) 
  and bondedto( attr rmsd <  117.826  and attr rmsd > 117.226  )) 
     ( attr rmsd < 3.46  and attr rmsd > 3.4  ) 
  6 6 0  peak  11241  volume  9.76600 ppm1  9.029  ppm2  3.430
assi (( attr rmsd < 9.059  and attr rmsd >  8.999  ) 
  and bondedto( attr rmsd <  117.826  and attr rmsd > 117.226  )) 
     ( attr rmsd < 2.734  and attr rmsd > 2.674  ) 
  6 6 0  peak  11251  volume  17.22160 ppm1  9.029  ppm2  2.704
assi (( attr rmsd < 9.059  and attr rmsd >  8.999  ) 
  and bondedto( attr rmsd <  117.826  and attr rmsd > 117.226  )) 
     ( attr rmsd < 1.463  and attr rmsd > 1.403  ) 
  6 6 0  peak  11271  volume  9.79640 ppm1  9.029  ppm2  1.433
assi (( attr rmsd < 9.059  and attr rmsd >  8.999  ) 
  and bondedto( attr rmsd <  117.826  and attr rmsd > 117.226  )) 
     ( attr rmsd < 0.851  and attr rmsd > 0.791  ) 
  6 6 0  peak  11281  volume  22.73600 ppm1  9.029  ppm2  0.821
assi (( attr rmsd < 9.059  and attr rmsd >  8.999  ) 
  and bondedto( attr rmsd <  117.826  and attr rmsd > 117.226  )) 
     ( attr rmsd < 1.692  and attr rmsd > 1.632  ) 
  6 6 0  peak  11291  volume  7.09860 ppm1  9.029  ppm2  1.662
assi (( attr rmsd < 9.678  and attr rmsd >  9.618  ) 
  and bondedto( attr rmsd <  125.811  and attr rmsd > 125.211  )) 
     ( attr rmsd < 3.555  and attr rmsd > 3.495  ) 
  6 6 0  peak  11301  volume  7.39850 ppm1  9.648  ppm2  3.525
assi (( attr rmsd < 9.678  and attr rmsd >  9.618  ) 
  and bondedto( attr rmsd <  125.811  and attr rmsd > 125.211  )) 
     ( attr rmsd < 2.848  and attr rmsd > 2.788  ) 
  6 6 0  peak  11311  volume  10.56110 ppm1  9.648  ppm2  2.818
assi (( attr rmsd < 9.678  and attr rmsd >  9.618  ) 
  and bondedto( attr rmsd <  125.811  and attr rmsd > 125.211  )) 
     ( attr rmsd < 1.943  and attr rmsd > 1.883  ) 
  6 6 0  peak  11321  volume  39.64800 ppm1  9.648  ppm2  1.913
assi (( attr rmsd < 8.703  and attr rmsd >  8.643  ) 
  and bondedto( attr rmsd <  124.423  and attr rmsd > 123.823  )) 
     ( attr rmsd < 3.352  and attr rmsd > 3.292  ) 
  6 6 0  peak  11331  volume  36.00830 ppm1  8.673  ppm2  3.322
assi (( attr rmsd < 9.254  and attr rmsd >  9.194  ) 
  and bondedto( attr rmsd <  116.264  and attr rmsd > 115.664  )) 
     ( attr rmsd < 9.059  and attr rmsd > 8.999  ) 
  6 6 0  peak  11341  volume  43.75340 ppm1  9.224  ppm2  9.029
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  115.223  and attr rmsd > 114.623  )) 
     ( attr rmsd < 4.51  and attr rmsd > 4.45  ) 
  6 6 0  peak  11351  volume  39.46390 ppm1  7.687  ppm2  4.480
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  115.223  and attr rmsd > 114.623  )) 
     ( attr rmsd < 3.017  and attr rmsd > 2.957  ) 
  6 6 0  peak  11361  volume  19.56640 ppm1  7.687  ppm2  2.987
assi (( attr rmsd < 7.717  and attr rmsd >  7.657  ) 
  and bondedto( attr rmsd <  115.223  and attr rmsd > 114.623  )) 
     ( attr rmsd < 3.231  and attr rmsd > 3.171  ) 
  6 6 0  peak  11371  volume  21.52330 ppm1  7.687  ppm2  3.201
assi (( attr rmsd < 9.449  and attr rmsd >  9.389  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 1.949  and attr rmsd > 1.889  ) 
  6 6 0  peak  11381  volume  14.65440 ppm1  9.419  ppm2  1.919
assi (( attr rmsd < 9.449  and attr rmsd >  9.389  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 2.27  and attr rmsd > 2.21  ) 
  6 6 0  peak  11391  volume  7.65700 ppm1  9.419  ppm2  2.240
assi (( attr rmsd < 9.477  and attr rmsd >  9.417  ) 
  and bondedto( attr rmsd <  121.472  and attr rmsd > 120.872  )) 
     ( attr rmsd < 8.191  and attr rmsd > 8.131  ) 
  6 6 0  peak  11401  volume  38.96010 ppm1  9.447  ppm2  8.161
assi (( attr rmsd < 9.477  and attr rmsd >  9.417  ) 
  and bondedto( attr rmsd <  121.472  and attr rmsd > 120.872  )) 
     ( attr rmsd < 6.869  and attr rmsd > 6.809  ) 
  6 6 0  peak  11411  volume  23.82680 ppm1  9.447  ppm2  6.839
assi (( attr rmsd < 9.477  and attr rmsd >  9.417  ) 
  and bondedto( attr rmsd <  121.472  and attr rmsd > 120.872  )) 
     ( attr rmsd < 7.452  and attr rmsd > 7.392  ) 
  6 6 0  peak  11421  volume  12.81730 ppm1  9.447  ppm2  7.422
assi (( attr rmsd < 8.546  and attr rmsd >  8.486  ) 
  and bondedto( attr rmsd <  120.43  and attr rmsd > 119.83  )) 
     ( attr rmsd < 0.78  and attr rmsd > 0.72  ) 
  6 6 0  peak  11441  volume  43.81960 ppm1  8.516  ppm2  0.750
assi (( attr rmsd < 9.745  and attr rmsd >  9.685  ) 
  and bondedto( attr rmsd <  126.679  and attr rmsd > 126.079  )) 
     ( attr rmsd < 7.819  and attr rmsd > 7.759  ) 
  6 6 0  peak  11451  volume  7.83010 ppm1  9.715  ppm2  7.789
assi (( attr rmsd < 8.73  and attr rmsd >  8.67  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 2.062  and attr rmsd > 2.002  ) 
  6 6 0  peak  11461  volume  9.81930 ppm1  8.700  ppm2  2.032
assi (( attr rmsd < 8.73  and attr rmsd >  8.67  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 1.26  and attr rmsd > 1.2  ) 
  6 6 0  peak  11471  volume  30.81470 ppm1  8.700  ppm2  1.230
assi (( attr rmsd < 8.73  and attr rmsd >  8.67  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 0.653  and attr rmsd > 0.593  ) 
  6 6 0  peak  11481  volume  19.12200 ppm1  8.700  ppm2  0.623
assi (( attr rmsd < 8.166  and attr rmsd >  8.106  ) 
  and bondedto( attr rmsd <  116.264  and attr rmsd > 115.664  )) 
     ( attr rmsd < 2.374  and attr rmsd > 2.314  ) 
  6 6 0  peak  11491  volume  23.31840 ppm1  8.136  ppm2  2.344
assi (( attr rmsd < 9.111  and attr rmsd >  9.051  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 6.371  and attr rmsd > 6.311  ) 
  6 6 0  peak  11501  volume  16.27980 ppm1  9.081  ppm2  6.341
assi (( attr rmsd < 9.111  and attr rmsd >  9.051  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 7.214  and attr rmsd > 7.154  ) 
  6 6 0  peak  11511  volume  12.02250 ppm1  9.081  ppm2  7.184
assi (( attr rmsd < 9.111  and attr rmsd >  9.051  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 3.132  and attr rmsd > 3.072  ) 
  6 6 0  peak  11521  volume  42.82190 ppm1  9.081  ppm2  3.102
assi (( attr rmsd < 9.111  and attr rmsd >  9.051  ) 
  and bondedto( attr rmsd <  124.943  and attr rmsd > 124.343  )) 
     ( attr rmsd < 3.554  and attr rmsd > 3.494  ) 
  6 6 0  peak  11531  volume  11.05280 ppm1  9.081  ppm2  3.524
assi (( attr rmsd < 8.253  and attr rmsd >  8.193  ) 
  and bondedto( attr rmsd <  116.091  and attr rmsd > 115.491  )) 
     ( attr rmsd < 10.18  and attr rmsd > 10.12  ) 
  6 6 0  peak  11541  volume  7.68120 ppm1  8.223  ppm2  10.150
assi (( attr rmsd < 8.364  and attr rmsd >  8.304  ) 
  and bondedto( attr rmsd <  119.562  and attr rmsd > 118.962  )) 
     ( attr rmsd < 0.887  and attr rmsd > 0.827  ) 
  6 6 0  peak  11551  volume  76.31110 ppm1  8.334  ppm2  0.857
assi (( attr rmsd < 8.364  and attr rmsd >  8.304  ) 
  and bondedto( attr rmsd <  119.562  and attr rmsd > 118.962  )) 
     ( attr rmsd < 3.651  and attr rmsd > 3.591  ) 
  6 6 0  peak  11561  volume  39.27720 ppm1  8.334  ppm2  3.621
assi (( attr rmsd < 7.4  and attr rmsd >  7.34  ) 
  and bondedto( attr rmsd <  121.298  and attr rmsd > 120.698  )) 
     ( attr rmsd < 6.827  and attr rmsd > 6.767  ) 
  6 6 0  peak  11571  volume  18.97870 ppm1  7.370  ppm2  6.797
assi (( attr rmsd < 8.52  and attr rmsd >  8.46  ) 
  and bondedto( attr rmsd <  115.917  and attr rmsd > 115.317  )) 
     ( attr rmsd < 4.853  and attr rmsd > 4.793  ) 
  6 6 0  peak  11581  volume  59.31470 ppm1  8.490  ppm2  4.823
!
!
!The last digit in peak ID is the spectrum number

ASSI {    02}
  (( segid "SEGA" and resid 102  and name HG2#  ))
  (( segid "SEGA" and resid 102  and name HB  ))
     6 6 0 peak 02 weight  0.1000E+01 volume 117.14960 ppm1 0.871 ppm2 3.909
ASSI {    12}
  (( segid "SEGA" and resid 117  and name HA  ))
  (( segid "SEGA" and resid 117  and name HB  ))
     6 6 0 peak 12 weight  0.1000E+01 volume 38.78260 ppm1 4.441 ppm2 4.314
ASSI {    22}
  (( segid "SEGA" and resid 81  and name HA  ))
  (( segid "SEGA" and resid 81  and name HB  ))
     6 6 0 peak 22 weight  0.1000E+01 volume 26.13940 ppm1 4.391 ppm2 4.802
ASSI {    32}
  (( segid "SEGA" and resid 81  and name HG2#  ))
  (( segid "SEGA" and resid 81  and name HB  ))
     6 6 0 peak 32 weight  0.1000E+01 volume 93.42040 ppm1 1.282 ppm2 4.802
ASSI {    42}
  (( segid "SEGA" and resid 91  and name HA  ))
  (( segid "SEGA" and resid 91  and name HB  ))
     6 6 0 peak 42 weight  0.1000E+01 volume 34.22540 ppm1 4.613 ppm2 5.126
ASSI {    52}
  (( segid "SEGA" and resid 91  and name HG2#  ))
  (( segid "SEGA" and resid 91  and name HB  ))
     6 6 0 peak 52 weight  0.1000E+01 volume 190.84419 ppm1 1.111 ppm2 5.126
ASSI {    62}
  (( segid "SEGA" and resid 76  and name HB#  ))
  (( segid "SEGA" and resid 91  and name HB  ))
     6 6 0 peak 62 weight  0.1000E+01 volume 14.32530 ppm1 1.022 ppm2 5.134
ASSI {    72}
  (( segid "SEGA" and resid 58  and name HA  ))
  (( segid "SEGA" and resid 53  and name HB1  ))
     6 6 0 peak 72 weight  0.1000E+01 volume 21.55340 ppm1 5.635 ppm2 3.782
ASSI {    82}
  (( segid "SEGA" and resid 58  and name HA  ))
  (( segid "SEGA" and resid 53  and name HB2  ))
     6 6 0 peak 82 weight  0.1000E+01 volume 14.67370 ppm1 5.636 ppm2 3.659
ASSI {    92}
  (( segid "SEGA" and resid 53  and name HA  ))
  (( segid "SEGA" and resid 53  and name HB1  ))
     6 6 0 peak 92 weight  0.1000E+01 volume 77.96310 ppm1 5.486 ppm2 3.787
ASSI {   102}
  (( segid "SEGA" and resid 53  and name HA  ))
  (( segid "SEGA" and resid 53  and name HB2  ))
     6 6 0 peak 102 weight  0.1000E+01 volume 91.74510 ppm1 5.492 ppm2 3.654
ASSI {   112}
  (( segid "SEGA" and resid 71  and name HA  ))
  (( segid "SEGA" and resid 71  and name HB1  ))
     6 6 0 peak 112 weight  0.1000E+01 volume 33.29860 ppm1 4.761 ppm2 3.840
ASSI {   122}
  (( segid "SEGA" and resid 71  and name HA  ))
  (( segid "SEGA" and resid 71  and name HB2  ))
     6 6 0 peak 122 weight  0.1000E+01 volume 12.01960 ppm1 4.754 ppm2 3.150
ASSI {   132}
  (( segid "SEGA" and resid 71  and name HB1  ))
  (( segid "SEGA" and resid 71  and name HB2  ))
     6 6 0 peak 132 weight  0.1000E+01 volume 66.93430 ppm1 3.842 ppm2 3.171
ASSI {   142}
  (( segid "SEGA" and resid 53  and name HB1  ))
  (( segid "SEGA" and resid 53  and name HB2  ))
     6 6 0 peak 142 weight  0.1000E+01 volume 212.26970 ppm1 3.800 ppm2 3.654
ASSI {   152}
  (( segid "SEGA" and resid 53  and name HB2  ))
  (( segid "SEGA" and resid 53  and name HB1  ))
     6 6 0 peak 152 weight  0.1000E+01 volume 205.83000 ppm1 3.647 ppm2 3.797
ASSI {   162}
  (( segid "SEGA" and resid 71  and name HB2  ))
  (( segid "SEGA" and resid 71  and name HB1  ))
     6 6 0 peak 162 weight  0.1000E+01 volume 59.05620 ppm1 3.174 ppm2 3.844
ASSI {   172}
  (( segid "SEGA" and resid 97  and name HB  ))
  (( segid "SEGA" and resid 97  and name HA  ))
     6 6 0 peak 172 weight  0.1000E+01 volume 174.25020 ppm1 1.614 ppm2 3.250
ASSI {   182}
  (( segid "SEGA" and resid 97  and name HD1#  ))
  (( segid "SEGA" and resid 97  and name HA  ))
     6 6 0 peak 182 weight  0.1000E+01 volume 125.17120 ppm1 1.016 ppm2 3.250
ASSI {   192}
  (( segid "SEGA" and resid 97  and name HG2#  ))
  (( segid "SEGA" and resid 97  and name HA  ))
     6 6 0 peak 192 weight  0.1000E+01 volume 69.76930 ppm1 0.897 ppm2 3.250
ASSI {   202}
  (( segid "SEGA" and resid 97  and name HG12  ))
  (( segid "SEGA" and resid 97  and name HA  ))
     6 6 0 peak 202 weight  0.1000E+01 volume 108.04410 ppm1 0.642 ppm2 3.250
ASSI {   212}
  (( segid "SEGA" and resid 104  and name HA  ))
  (( segid "SEGA" and resid 104  and name HB1  ))
     6 6 0 peak 212 weight  0.1000E+01 volume 23.43390 ppm1 4.928 ppm2 4.267
ASSI {   222}
  (( segid "SEGA" and resid 104  and name HB1  ))
  (( segid "SEGA" and resid 104  and name HB2  ))
     6 6 0 peak 222 weight  0.1000E+01 volume 122.88480 ppm1 4.269 ppm2 4.153
ASSI {   232}
  (( segid "SEGA" and resid 74  and name HG1  ))
  (( segid "SEGA" and resid 104  and name HB2  ))
     6 6 0 peak 232 weight  0.1000E+01 volume 10.40220 ppm1 1.993 ppm2 4.155
ASSI {   242}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 30  and name HA  ))
     6 6 0 peak 242 weight  0.1000E+01 volume 61.05530 ppm1 7.495 ppm2 3.973
ASSI {   252}
  (( segid "SEGA" and resid 30  and name HG1#  ))
  (( segid "SEGA" and resid 30  and name HA  ))
     6 6 0 peak 252 weight  0.1000E+01 volume 116.23910 ppm1 0.802 ppm2 3.970
ASSI {   262}
  (( segid "SEGA" and resid 30  and name HG2#  ))
  (( segid "SEGA" and resid 30  and name HA  ))
     6 6 0 peak 262 weight  0.1000E+01 volume 190.28180 ppm1 0.440 ppm2 3.967
ASSI {   272}
  (( segid "SEGA" and resid 23  and name HA  ))
  (( segid "SEGA" and resid 23  and name HB1  ))
     6 6 0 peak 272 weight  0.1000E+01 volume 434.21170 ppm1 4.916 ppm2 4.048
ASSI {   282}
  (( segid "SEGA" and resid 96  and name HA  ))
  (( segid "SEGA" and resid 23  and name HB1  ))
     6 6 0 peak 282 weight  0.1000E+01 volume 218.99969 ppm1 4.656 ppm2 4.048
ASSI {   292}
  (( segid "SEGA" and resid 112  and name HA  ))
  (( segid "SEGA" and resid 112  and name HB1  ))
     6 6 0 peak 292 weight  0.1000E+01 volume 235.66270 ppm1 4.433 ppm2 3.883
ASSI {   302}
  (( segid "SEGA" and resid 97  and name HB  ))
  (( segid "SEGA" and resid 23  and name HB1  ))
     6 6 0 peak 302 weight  0.1000E+01 volume 104.86650 ppm1 1.612 ppm2 4.041
ASSI {   312}
  (( segid "SEGA" and resid 96  and name HB#  ))
  (( segid "SEGA" and resid 23  and name HB1  ))
     6 6 0 peak 312 weight  0.1000E+01 volume 67.08680 ppm1 1.495 ppm2 4.031
ASSI {   322}
  (( segid "SEGA" and resid 97  and name HD1#  ))
  (( segid "SEGA" and resid 23  and name HB1  ))
     6 6 0 peak 322 weight  0.1000E+01 volume 82.65680 ppm1 1.013 ppm2 4.036
ASSI {   332}
  (( segid "SEGA" and resid 94  and name HB1  ))
  (( segid "SEGA" and resid 94  and name HA  ))
     6 6 0 peak 332 weight  0.1000E+01 volume 186.13271 ppm1 2.553 ppm2 4.621
ASSI {   342}
  (( segid "SEGA" and resid 94  and name HG1  ))
  (( segid "SEGA" and resid 94  and name HA  ))
     6 6 0 peak 342 weight  0.1000E+01 volume 43.98450 ppm1 2.290 ppm2 4.623
ASSI {   352}
  (( segid "SEGA" and resid 94  and name HB2  ))
  (( segid "SEGA" and resid 94  and name HA  ))
     6 6 0 peak 352 weight  0.1000E+01 volume 187.15660 ppm1 2.000 ppm2 4.624
ASSI {   362}
  (( segid "SEGA" and resid 48  and name HB2  ))
  (( segid "SEGA" and resid 45  and name HA  ))
     6 6 0 peak 362 weight  0.1000E+01 volume 13.30770 ppm1 1.986 ppm2 4.326
ASSI {   372}
  (( segid "SEGA" and resid 45  and name HG2#  ))
  (( segid "SEGA" and resid 45  and name HA  ))
     6 6 0 peak 372 weight  0.1000E+01 volume 71.31770 ppm1 1.278 ppm2 4.323
ASSI {   382}
  (( segid "SEGA" and resid 74  and name HB2  ))
  (( segid "SEGA" and resid 74  and name HA  ))
     6 6 0 peak 382 weight  0.1000E+01 volume 15.17100 ppm1 1.840 ppm2 4.608
ASSI {   392}
  (( segid "SEGA" and resid 91  and name HB  ))
  (( segid "SEGA" and resid 91  and name HA  ))
     6 6 0 peak 392 weight  0.1000E+01 volume 89.30660 ppm1 5.120 ppm2 4.614
ASSI {   402}
  (( segid "SEGA" and resid 92  and name HG2#  ))
  (( segid "SEGA" and resid 91  and name HA  ))
     6 6 0 peak 402 weight  0.1000E+01 volume 5.27470 ppm1 0.903 ppm2 4.608
ASSI {   412}
  (( segid "SEGA" and resid 91  and name HG2#  ))
  (( segid "SEGA" and resid 91  and name HA  ))
     6 6 0 peak 412 weight  0.1000E+01 volume 94.86410 ppm1 1.107 ppm2 4.611
ASSI {   422}
  (( segid "SEGA" and resid 67  and name HB  ))
  (( segid "SEGA" and resid 67  and name HA  ))
     6 6 0 peak 422 weight  0.1000E+01 volume 32.99620 ppm1 1.564 ppm2 3.883
ASSI {   432}
  (( segid "SEGA" and resid 67  and name HD1#  ))
  (( segid "SEGA" and resid 67  and name HA  ))
     6 6 0 peak 432 weight  0.1000E+01 volume 37.17320 ppm1 0.900 ppm2 3.880
ASSI {   442}
  (( segid "SEGA" and resid 67  and name HG2#  ))
  (( segid "SEGA" and resid 67  and name HA  ))
     6 6 0 peak 442 weight  0.1000E+01 volume 28.31100 ppm1 0.761 ppm2 3.878
ASSI {   452}
  (( segid "SEGA" and resid 8  and name HG1#  ))
  (( segid "SEGA" and resid 8  and name HA  ))
     6 6 0 peak 452 weight  0.1000E+01 volume 100.13780 ppm1 0.970 ppm2 5.132
ASSI {   462}
  (( segid "SEGA" and resid 8  and name HG2#  ))
  (( segid "SEGA" and resid 8  and name HA  ))
     6 6 0 peak 462 weight  0.1000E+01 volume 20.72900 ppm1 0.481 ppm2 5.135
ASSI {   472}
  (( segid "SEGA" and resid 18  and name HG1#  ))
  (( segid "SEGA" and resid 18  and name HA  ))
     6 6 0 peak 472 weight  0.1000E+01 volume 59.68940 ppm1 0.478 ppm2 4.258
ASSI {   482}
  (( segid "SEGA" and resid 59  and name HA  ))
  (( segid "SEGA" and resid 37  and name HA  ))
     6 6 0 peak 482 weight  0.1000E+01 volume 77.38330 ppm1 5.748 ppm2 5.290
ASSI {   492}
  (( segid "SEGA" and resid 37  and name HB  ))
  (( segid "SEGA" and resid 37  and name HA  ))
     6 6 0 peak 492 weight  0.1000E+01 volume 33.06470 ppm1 2.076 ppm2 5.288
ASSI {   502}
  (( segid "SEGA" and resid 59  and name HB#  ))
  (( segid "SEGA" and resid 37  and name HA  ))
     6 6 0 peak 502 weight  0.1000E+01 volume 61.02870 ppm1 1.408 ppm2 5.293
ASSI {   512}
  (( segid "SEGA" and resid 37  and name HG1#  ))
  (( segid "SEGA" and resid 37  and name HA  ))
     6 6 0 peak 512 weight  0.1000E+01 volume 173.29770 ppm1 1.094 ppm2 5.290
ASSI {   522}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 37  and name HA  ))
     6 6 0 peak 522 weight  0.1000E+01 volume 29.09410 ppm1 0.873 ppm2 5.285
ASSI {   532}
  (( segid "SEGA" and resid 81  and name HB  ))
  (( segid "SEGA" and resid 81  and name HA  ))
     6 6 0 peak 532 weight  0.1000E+01 volume 96.51510 ppm1 4.804 ppm2 4.382
ASSI {   542}
  (( segid "SEGA" and resid 117  and name HB  ))
  (( segid "SEGA" and resid 117  and name HA  ))
     6 6 0 peak 542 weight  0.1000E+01 volume 130.58369 ppm1 4.326 ppm2 4.446
ASSI {   552}
  (( segid "SEGA" and resid 92  and name HB  ))
  (( segid "SEGA" and resid 92  and name HA  ))
     6 6 0 peak 552 weight  0.1000E+01 volume 175.89270 ppm1 2.256 ppm2 4.724
ASSI {   562}
  (( segid "SEGA" and resid 95  and name HG11  ))
  (( segid "SEGA" and resid 95  and name HA  ))
     6 6 0 peak 562 weight  0.1000E+01 volume 74.70110 ppm1 2.057 ppm2 4.414
ASSI {   572}
  (( segid "SEGA" and resid 101  and name HB  ))
  (( segid "SEGA" and resid 101  and name HA  ))
     6 6 0 peak 572 weight  0.1000E+01 volume 27.11030 ppm1 1.788 ppm2 4.724
ASSI {   582}
  (( segid "SEGA" and resid 96  and name HB#  ))
  (( segid "SEGA" and resid 95  and name HA  ))
     6 6 0 peak 582 weight  0.1000E+01 volume 33.53240 ppm1 1.522 ppm2 4.417
ASSI {   592}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 95  and name HA  ))
     6 6 0 peak 592 weight  0.1000E+01 volume 92.86630 ppm1 1.093 ppm2 4.409
ASSI {   602}
  (( segid "SEGA" and resid 26  and name HG2  ))
  (( segid "SEGA" and resid 92  and name HA  ))
     6 6 0 peak 602 weight  0.1000E+01 volume 36.95300 ppm1 1.083 ppm2 4.727
ASSI {   612}
  (( segid "SEGA" and resid 95  and name HD1#  ))
  (( segid "SEGA" and resid 95  and name HA  ))
     6 6 0 peak 612 weight  0.1000E+01 volume 77.11700 ppm1 0.684 ppm2 4.418
ASSI {   622}
  (( segid "SEGA" and resid 101  and name HG2#  ))
  (( segid "SEGA" and resid 101  and name HA  ))
     6 6 0 peak 622 weight  0.1000E+01 volume 107.25660 ppm1 0.684 ppm2 4.734
ASSI {   632}
  (( segid "SEGA" and resid 36  and name HB  ))
  (( segid "SEGA" and resid 36  and name HA  ))
     6 6 0 peak 632 weight  0.1000E+01 volume 28.38340 ppm1 1.779 ppm2 4.384
ASSI {   642}
  (( segid "SEGA" and resid 36  and name HG2#  ))
  (( segid "SEGA" and resid 36  and name HA  ))
     6 6 0 peak 642 weight  0.1000E+01 volume 87.00840 ppm1 0.941 ppm2 4.384
ASSI {   652}
  (( segid "SEGA" and resid 36  and name HD1#  ))
  (( segid "SEGA" and resid 36  and name HA  ))
     6 6 0 peak 652 weight  0.1000E+01 volume 40.80840 ppm1 0.260 ppm2 4.384
ASSI {   662}
  (( segid "SEGA" and resid 48  and name HB1  ))
  (( segid "SEGA" and resid 48  and name HA  ))
     6 6 0 peak 662 weight  0.1000E+01 volume 210.98650 ppm1 2.116 ppm2 3.778
ASSI {   672}
  (( segid "SEGA" and resid 51  and name HD2#  ))
  (( segid "SEGA" and resid 48  and name HA  ))
     6 6 0 peak 672 weight  0.1000E+01 volume 83.22560 ppm1 0.094 ppm2 3.779
ASSI {   682}
  (( segid "SEGA" and resid 48  and name HB2  ))
  (( segid "SEGA" and resid 48  and name HA  ))
     6 6 0 peak 682 weight  0.1000E+01 volume 161.00720 ppm1 1.978 ppm2 3.779
ASSI {   692}
  (( segid "SEGA" and resid 105  and name HD1  ))
  (( segid "SEGA" and resid 105  and name HA  ))
     6 6 0 peak 692 weight  0.1000E+01 volume 5.49860 ppm1 6.914 ppm2 4.429
ASSI {   702}
  (( segid "SEGA" and resid 2  and name HA  ))
  (( segid "SEGA" and resid 7  and name HA  ))
     6 6 0 peak 702 weight  0.1000E+01 volume 97.10480 ppm1 5.468 ppm2 4.969
ASSI {   712}
  (( segid "SEGA" and resid 105  and name HB1  ))
  (( segid "SEGA" and resid 105  and name HA  ))
     6 6 0 peak 712 weight  0.1000E+01 volume 21.56660 ppm1 3.056 ppm2 4.460
ASSI {   722}
  (( segid "SEGA" and resid 105  and name HB2  ))
  (( segid "SEGA" and resid 105  and name HA  ))
     6 6 0 peak 722 weight  0.1000E+01 volume 23.98580 ppm1 2.787 ppm2 4.454
ASSI {   732}
  (( segid "SEGA" and resid 108  and name HB1  ))
  (( segid "SEGA" and resid 109  and name HA  ))
     6 6 0 peak 732 weight  0.1000E+01 volume 18.95860 ppm1 2.714 ppm2 4.360
ASSI {   742}
  (( segid "SEGA" and resid 7  and name HB  ))
  (( segid "SEGA" and resid 7  and name HA  ))
     6 6 0 peak 742 weight  0.1000E+01 volume 48.85540 ppm1 1.728 ppm2 4.971
ASSI {   752}
  (( segid "SEGA" and resid 7  and name HG2#  ))
  (( segid "SEGA" and resid 7  and name HA  ))
     6 6 0 peak 752 weight  0.1000E+01 volume 35.38630 ppm1 0.977 ppm2 4.975
ASSI {   762}
  (( segid "SEGA" and resid 7  and name HD1#  ))
  (( segid "SEGA" and resid 7  and name HA  ))
     6 6 0 peak 762 weight  0.1000E+01 volume 53.34930 ppm1 0.915 ppm2 4.986
ASSI {   772}
  (( segid "SEGA" and resid 110  and name HB2  ))
  (( segid "SEGA" and resid 109  and name HA  ))
     6 6 0 peak 772 weight  0.1000E+01 volume 45.08160 ppm1 3.199 ppm2 4.364
ASSI {   782}
  (( segid "SEGA" and resid 85  and name HG1  ))
  (( segid "SEGA" and resid 85  and name HA  ))
     6 6 0 peak 782 weight  0.1000E+01 volume 101.44790 ppm1 1.695 ppm2 3.856
ASSI {   792}
  (( segid "SEGA" and resid 6  and name HB  ))
  (( segid "SEGA" and resid 6  and name HA  ))
     6 6 0 peak 792 weight  0.1000E+01 volume 93.67350 ppm1 2.089 ppm2 5.661
ASSI {   802}
  (( segid "SEGA" and resid 7  and name HB  ))
  (( segid "SEGA" and resid 6  and name HA  ))
     6 6 0 peak 802 weight  0.1000E+01 volume 20.08200 ppm1 1.714 ppm2 5.663
ASSI {   812}
  (( segid "SEGA" and resid 6  and name HG1#  ))
  (( segid "SEGA" and resid 6  and name HA  ))
     6 6 0 peak 812 weight  0.1000E+01 volume 126.41720 ppm1 0.869 ppm2 5.662
ASSI {   822}
  (( segid "SEGA" and resid 103  and name HB  ))
  (( segid "SEGA" and resid 103  and name HA  ))
     6 6 0 peak 822 weight  0.1000E+01 volume 18.02150 ppm1 2.097 ppm2 5.064
ASSI {   832}
  (( segid "SEGA" and resid 85  and name HB2  ))
  (( segid "SEGA" and resid 85  and name HA  ))
     6 6 0 peak 832 weight  0.1000E+01 volume 151.20599 ppm1 1.828 ppm2 3.858
ASSI {   842}
  (( segid "SEGA" and resid 103  and name HG2#  ))
  (( segid "SEGA" and resid 103  and name HA  ))
     6 6 0 peak 842 weight  0.1000E+01 volume 105.85960 ppm1 0.445 ppm2 5.074
ASSI {   852}
  (( segid "SEGA" and resid 102  and name HB  ))
  (( segid "SEGA" and resid 102  and name HA  ))
     6 6 0 peak 852 weight  0.1000E+01 volume 85.30670 ppm1 3.912 ppm2 5.109
ASSI {   862}
  (( segid "SEGA" and resid 5  and name HB1  ))
  (( segid "SEGA" and resid 5  and name HA  ))
     6 6 0 peak 862 weight  0.1000E+01 volume 26.22420 ppm1 2.280 ppm2 4.421
ASSI {   872}
  (( segid "SEGA" and resid 85  and name HD1  ))
  (( segid "SEGA" and resid 85  and name HA  ))
     6 6 0 peak 872 weight  0.1000E+01 volume 130.99310 ppm1 2.112 ppm2 3.863
ASSI {   882}
  (( segid "SEGA" and resid 85  and name HB1  ))
  (( segid "SEGA" and resid 85  and name HA  ))
     6 6 0 peak 882 weight  0.1000E+01 volume 236.04359 ppm1 2.015 ppm2 3.858
ASSI {   892}
  (( segid "SEGA" and resid 5  and name HG1  ))
  (( segid "SEGA" and resid 5  and name HA  ))
     6 6 0 peak 892 weight  0.1000E+01 volume 51.52860 ppm1 1.747 ppm2 4.421
ASSI {   922}
  (( segid "SEGA" and resid 102  and name HG2#  ))
  (( segid "SEGA" and resid 102  and name HA  ))
     6 6 0 peak 922 weight  0.1000E+01 volume 75.30980 ppm1 0.875 ppm2 5.112
ASSI {   932}
  (( segid "SEGA" and resid 26  and name HB1  ))
  (( segid "SEGA" and resid 26  and name HA  ))
     6 6 0 peak 932 weight  0.1000E+01 volume 253.62720 ppm1 1.778 ppm2 3.631
ASSI {   942}
  (( segid "SEGA" and resid 26  and name HG1  ))
  (( segid "SEGA" and resid 26  and name HA  ))
     6 6 0 peak 942 weight  0.1000E+01 volume 91.58630 ppm1 1.238 ppm2 3.631
ASSI {   952}
  (( segid "SEGA" and resid 26  and name HG2  ))
  (( segid "SEGA" and resid 26  and name HA  ))
     6 6 0 peak 952 weight  0.1000E+01 volume 132.61670 ppm1 1.067 ppm2 3.634
ASSI {   962}
  (( segid "SEGA" and resid 112  and name HB1  ))
  (( segid "SEGA" and resid 112  and name HA  ))
     6 6 0 peak 962 weight  0.1000E+01 volume 41.68890 ppm1 3.886 ppm2 4.441
ASSI {   972}
  (( segid "SEGA" and resid 110  and name HE3  ))
  (( segid "SEGA" and resid 110  and name HA  ))
     6 6 0 peak 972 weight  0.1000E+01 volume 24.45950 ppm1 7.597 ppm2 4.526
ASSI {   982}
  (( segid "SEGA" and resid 53  and name HA  ))
  (( segid "SEGA" and resid 58  and name HA  ))
     6 6 0 peak 982 weight  0.1000E+01 volume 79.42300 ppm1 5.480 ppm2 5.630
ASSI {   992}
  (( segid "SEGA" and resid 104  and name HB1  ))
  (( segid "SEGA" and resid 104  and name HA  ))
     6 6 0 peak 992 weight  0.1000E+01 volume 8.79410 ppm1 4.264 ppm2 4.923
ASSI {  1002}
  (( segid "SEGA" and resid 110  and name HB2  ))
  (( segid "SEGA" and resid 110  and name HA  ))
     6 6 0 peak 1002 weight  0.1000E+01 volume 34.77860 ppm1 3.200 ppm2 4.524
ASSI {  1012}
  (( segid "SEGA" and resid 58  and name HA  ))
  (( segid "SEGA" and resid 53  and name HA  ))
     6 6 0 peak 1012 weight  0.1000E+01 volume 143.72121 ppm1 5.632 ppm2 5.483
ASSI {  1022}
  (( segid "SEGA" and resid 23  and name HB1  ))
  (( segid "SEGA" and resid 23  and name HA  ))
     6 6 0 peak 1022 weight  0.1000E+01 volume 52.04660 ppm1 4.025 ppm2 4.926
ASSI {  1032}
  (( segid "SEGA" and resid 53  and name HB1  ))
  (( segid "SEGA" and resid 53  and name HA  ))
     6 6 0 peak 1032 weight  0.1000E+01 volume 41.21140 ppm1 3.801 ppm2 5.489
ASSI {  1042}
  (( segid "SEGA" and resid 53  and name HB2  ))
  (( segid "SEGA" and resid 53  and name HA  ))
     6 6 0 peak 1042 weight  0.1000E+01 volume 50.62710 ppm1 3.647 ppm2 5.493
ASSI {  1052}
  (( segid "SEGA" and resid 110  and name HB1  ))
  (( segid "SEGA" and resid 110  and name HA  ))
     6 6 0 peak 1052 weight  0.1000E+01 volume 40.41130 ppm1 3.379 ppm2 4.519
ASSI {  1062}
  (( segid "SEGA" and resid 97  and name HB  ))
  (( segid "SEGA" and resid 23  and name HA  ))
     6 6 0 peak 1062 weight  0.1000E+01 volume 23.12120 ppm1 1.622 ppm2 4.919
ASSI {  1072}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 53  and name HA  ))
     6 6 0 peak 1072 weight  0.1000E+01 volume 11.40480 ppm1 0.865 ppm2 5.485
ASSI {  1082}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 24  and name HA  ))
     6 6 0 peak 1082 weight  0.1000E+01 volume 75.39460 ppm1 7.258 ppm2 5.057
ASSI {  1092}
  (( segid "SEGA" and resid 24  and name HB1  ))
  (( segid "SEGA" and resid 24  and name HA  ))
     6 6 0 peak 1092 weight  0.1000E+01 volume 113.15750 ppm1 3.271 ppm2 5.060
ASSI {  1102}
  (( segid "SEGA" and resid 24  and name HB2  ))
  (( segid "SEGA" and resid 24  and name HA  ))
     6 6 0 peak 1102 weight  0.1000E+01 volume 58.16850 ppm1 2.926 ppm2 5.060
ASSI {  1112}
  (( segid "SEGA" and resid 52  and name HD1  ))
  (( segid "SEGA" and resid 52  and name HA  ))
     6 6 0 peak 1112 weight  0.1000E+01 volume 24.70160 ppm1 7.243 ppm2 4.910
ASSI {  1122}
  (( segid "SEGA" and resid 52  and name HB2  ))
  (( segid "SEGA" and resid 52  and name HA  ))
     6 6 0 peak 1122 weight  0.1000E+01 volume 15.72020 ppm1 2.811 ppm2 4.920
ASSI {  1132}
  (( segid "SEGA" and resid 43  and name HD1  ))
  (( segid "SEGA" and resid 40  and name HA  ))
     6 6 0 peak 1132 weight  0.1000E+01 volume 31.07540 ppm1 7.585 ppm2 4.685
ASSI {  1142}
  (( segid "SEGA" and resid 52  and name HB1  ))
  (( segid "SEGA" and resid 52  and name HA  ))
     6 6 0 peak 1142 weight  0.1000E+01 volume 24.53950 ppm1 3.141 ppm2 4.922
ASSI {  1152}
  (( segid "SEGA" and resid 40  and name HB2  ))
  (( segid "SEGA" and resid 40  and name HA  ))
     6 6 0 peak 1152 weight  0.1000E+01 volume 20.65600 ppm1 2.687 ppm2 4.689
ASSI {  1162}
  (( segid "SEGA" and resid 28  and name HG1  ))
  (( segid "SEGA" and resid 28  and name HA  ))
     6 6 0 peak 1162 weight  0.1000E+01 volume 169.36630 ppm1 2.509 ppm2 4.513
ASSI {  1172}
  (( segid "SEGA" and resid 99  and name HB1  ))
  (( segid "SEGA" and resid 99  and name HA  ))
     6 6 0 peak 1172 weight  0.1000E+01 volume 175.69991 ppm1 2.228 ppm2 4.508
ASSI {  1182}
  (( segid "SEGA" and resid 43  and name HB1  ))
  (( segid "SEGA" and resid 43  and name HA  ))
     6 6 0 peak 1182 weight  0.1000E+01 volume 23.77360 ppm1 3.519 ppm2 4.976
ASSI {  1192}
  (( segid "SEGA" and resid 71  and name HB1  ))
  (( segid "SEGA" and resid 71  and name HA  ))
     6 6 0 peak 1192 weight  0.1000E+01 volume 6.68930 ppm1 3.846 ppm2 4.779
ASSI {  1202}
  (( segid "SEGA" and resid 71  and name HB2  ))
  (( segid "SEGA" and resid 71  and name HA  ))
     6 6 0 peak 1202 weight  0.1000E+01 volume 33.03190 ppm1 3.156 ppm2 4.780
ASSI {  1212}
  (( segid "SEGA" and resid 21  and name HB1  ))
  (( segid "SEGA" and resid 21  and name HA  ))
     6 6 0 peak 1212 weight  0.1000E+01 volume 145.81171 ppm1 1.911 ppm2 4.488
ASSI {  1222}
  (( segid "SEGA" and resid 21  and name HG1  ))
  (( segid "SEGA" and resid 21  and name HA  ))
     6 6 0 peak 1222 weight  0.1000E+01 volume 126.33300 ppm1 1.703 ppm2 4.490
ASSI {  1232}
  (( segid "SEGA" and resid 84  and name HB2  ))
  (( segid "SEGA" and resid 84  and name HA  ))
     6 6 0 peak 1232 weight  0.1000E+01 volume 32.80880 ppm1 1.693 ppm2 3.661
ASSI {  1242}
  (( segid "SEGA" and resid 84  and name HG  ))
  (( segid "SEGA" and resid 84  and name HA  ))
     6 6 0 peak 1242 weight  0.1000E+01 volume 104.47660 ppm1 1.539 ppm2 3.660
ASSI {  1252}
  (( segid "SEGA" and resid 21  and name HB2  ))
  (( segid "SEGA" and resid 21  and name HA  ))
     6 6 0 peak 1252 weight  0.1000E+01 volume 172.17821 ppm1 1.489 ppm2 4.488
ASSI {  1262}
  (( segid "SEGA" and resid 59  and name HB#  ))
  (( segid "SEGA" and resid 84  and name HA  ))
     6 6 0 peak 1262 weight  0.1000E+01 volume 29.87030 ppm1 1.413 ppm2 3.660
ASSI {  1272}
  (( segid "SEGA" and resid 7  and name HG2#  ))
  (( segid "SEGA" and resid 21  and name HA  ))
     6 6 0 peak 1272 weight  0.1000E+01 volume 35.31880 ppm1 1.004 ppm2 4.488
ASSI {  1282}
  (( segid "SEGA" and resid 84  and name HD1#  ))
  (( segid "SEGA" and resid 84  and name HA  ))
     6 6 0 peak 1282 weight  0.1000E+01 volume 99.84910 ppm1 0.850 ppm2 3.661
ASSI {  1292}
  (( segid "SEGA" and resid 80  and name HD2#  ))
  (( segid "SEGA" and resid 84  and name HA  ))
     6 6 0 peak 1292 weight  0.1000E+01 volume 7.69300 ppm1 0.590 ppm2 3.661
ASSI {  1302}
  (( segid "SEGA" and resid 49  and name HB1  ))
  (( segid "SEGA" and resid 49  and name HA  ))
     6 6 0 peak 1302 weight  0.1000E+01 volume 155.69400 ppm1 2.388 ppm2 4.424
ASSI {  1312}
  (( segid "SEGA" and resid 118  and name HB1  ))
  (( segid "SEGA" and resid 118  and name HA  ))
     6 6 0 peak 1312 weight  0.1000E+01 volume 58.51990 ppm1 2.211 ppm2 4.457
ASSI {  1322}
  (( segid "SEGA" and resid 13  and name HB2  ))
  (( segid "SEGA" and resid 13  and name HA  ))
     6 6 0 peak 1322 weight  0.1000E+01 volume 121.07710 ppm1 1.675 ppm2 4.353
ASSI {  1332}
  (( segid "SEGA" and resid 116  and name HD2#  ))
  (( segid "SEGA" and resid 116  and name HA  ))
     6 6 0 peak 1332 weight  0.1000E+01 volume 110.61910 ppm1 0.844 ppm2 4.248
ASSI {  1342}
  (( segid "SEGA" and resid 90  and name HD1  ))
  (( segid "SEGA" and resid 90  and name HA  ))
     6 6 0 peak 1342 weight  0.1000E+01 volume 16.95570 ppm1 6.913 ppm2 5.590
ASSI {  1352}
  (( segid "SEGA" and resid 116  and name HB1  ))
  (( segid "SEGA" and resid 116  and name HA  ))
     6 6 0 peak 1352 weight  0.1000E+01 volume 134.93240 ppm1 1.578 ppm2 4.248
ASSI {  1362}
  (( segid "SEGA" and resid 116  and name HG  ))
  (( segid "SEGA" and resid 116  and name HA  ))
     6 6 0 peak 1362 weight  0.1000E+01 volume 20.26300 ppm1 1.471 ppm2 4.245
ASSI {  1372}
  (( segid "SEGA" and resid 51  and name HD2#  ))
  (( segid "SEGA" and resid 51  and name HA  ))
     6 6 0 peak 1372 weight  0.1000E+01 volume 18.76160 ppm1 0.090 ppm2 4.140
ASSI {  1382}
  (( segid "SEGA" and resid 61  and name HA  ))
  (( segid "SEGA" and resid 35  and name HA  ))
     6 6 0 peak 1382 weight  0.1000E+01 volume 117.79170 ppm1 4.754 ppm2 5.359
ASSI {  1392}
  (( segid "SEGA" and resid 1  and name HG1  ))
  (( segid "SEGA" and resid 1  and name HA  ))
     6 6 0 peak 1392 weight  0.1000E+01 volume 38.26600 ppm1 2.763 ppm2 3.913
ASSI {  1402}
  (( segid "SEGA" and resid 1  and name HB1  ))
  (( segid "SEGA" and resid 1  and name HA  ))
     6 6 0 peak 1402 weight  0.1000E+01 volume 110.80150 ppm1 2.512 ppm2 3.913
ASSI {  1412}
  (( segid "SEGA" and resid 42  and name HB1  ))
  (( segid "SEGA" and resid 42  and name HA  ))
     6 6 0 peak 1412 weight  0.1000E+01 volume 76.49650 ppm1 2.476 ppm2 4.637
ASSI {  1422}
  (( segid "SEGA" and resid 35  and name HB2  ))
  (( segid "SEGA" and resid 35  and name HA  ))
     6 6 0 peak 1422 weight  0.1000E+01 volume 7.15820 ppm1 2.449 ppm2 5.358
ASSI {  1432}
  (( segid "SEGA" and resid 42  and name HB2  ))
  (( segid "SEGA" and resid 42  and name HA  ))
     6 6 0 peak 1432 weight  0.1000E+01 volume 75.89400 ppm1 2.374 ppm2 4.637
ASSI {  1442}
  (( segid "SEGA" and resid 1  and name HE#  ))
  (( segid "SEGA" and resid 1  and name HA  ))
     6 6 0 peak 1442 weight  0.1000E+01 volume 79.28340 ppm1 1.864 ppm2 3.916
ASSI {  1452}
  (( segid "SEGA" and resid 111  and name HB1  ))
  (( segid "SEGA" and resid 111  and name HA  ))
     6 6 0 peak 1452 weight  0.1000E+01 volume 46.27290 ppm1 1.728 ppm2 4.488
ASSI {  1462}
  (( segid "SEGA" and resid 111  and name HD1#  ))
  (( segid "SEGA" and resid 111  and name HA  ))
     6 6 0 peak 1462 weight  0.1000E+01 volume 18.26700 ppm1 0.973 ppm2 4.489
ASSI {  1482}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 51  and name HA  ))
     6 6 0 peak 1482 weight  0.1000E+01 volume 170.23750 ppm1 -0.357 ppm2 4.143
ASSI {  1492}
  (( segid "SEGA" and resid 107  and name HB1  ))
  (( segid "SEGA" and resid 107  and name HA  ))
     6 6 0 peak 1492 weight  0.1000E+01 volume 60.83930 ppm1 2.859 ppm2 4.760
ASSI {  1502}
  (( segid "SEGA" and resid 107  and name HB2  ))
  (( segid "SEGA" and resid 107  and name HA  ))
     6 6 0 peak 1502 weight  0.1000E+01 volume 120.30660 ppm1 2.789 ppm2 4.756
ASSI {  1512}
  (( segid "SEGA" and resid 61  and name HB#  ))
  (( segid "SEGA" and resid 35  and name HA  ))
     6 6 0 peak 1512 weight  0.1000E+01 volume 71.70620 ppm1 1.564 ppm2 5.355
ASSI {  1522}
  (( segid "SEGA" and resid 78  and name HB1  ))
  (( segid "SEGA" and resid 79  and name HA  ))
     6 6 0 peak 1522 weight  0.1000E+01 volume 13.50860 ppm1 2.850 ppm2 4.562
ASSI {  1532}
  (( segid "SEGA" and resid 79  and name HG1  ))
  (( segid "SEGA" and resid 79  and name HA  ))
     6 6 0 peak 1532 weight  0.1000E+01 volume 126.20060 ppm1 2.115 ppm2 4.575
ASSI {  1542}
  (( segid "SEGA" and resid 79  and name HB2  ))
  (( segid "SEGA" and resid 79  and name HA  ))
     6 6 0 peak 1542 weight  0.1000E+01 volume 101.13150 ppm1 1.923 ppm2 4.578
ASSI {  1562}
  (( segid "SEGA" and resid 86  and name HA  ))
  (( segid "SEGA" and resid 34  and name HA  ))
     6 6 0 peak 1562 weight  0.1000E+01 volume 41.69180 ppm1 5.188 ppm2 4.558
ASSI {  1572}
  (( segid "SEGA" and resid 33  and name HB1  ))
  (( segid "SEGA" and resid 33  and name HA  ))
     6 6 0 peak 1572 weight  0.1000E+01 volume 93.62800 ppm1 3.212 ppm2 4.996
ASSI {  1582}
  (( segid "SEGA" and resid 119  and name HB1  ))
  (( segid "SEGA" and resid 119  and name HA  ))
     6 6 0 peak 1582 weight  0.1000E+01 volume 95.69820 ppm1 2.709 ppm2 4.621
ASSI {  1592}
  (( segid "SEGA" and resid 33  and name HB2  ))
  (( segid "SEGA" and resid 33  and name HA  ))
     6 6 0 peak 1592 weight  0.1000E+01 volume 139.41980 ppm1 2.650 ppm2 4.990
ASSI {  1602}
  (( segid "SEGA" and resid 25  and name HG1  ))
  (( segid "SEGA" and resid 25  and name HA  ))
     6 6 0 peak 1602 weight  0.1000E+01 volume 125.51420 ppm1 2.516 ppm2 4.581
ASSI {  1612}
  (( segid "SEGA" and resid 9  and name HB1  ))
  (( segid "SEGA" and resid 9  and name HA  ))
     6 6 0 peak 1612 weight  0.1000E+01 volume 175.92560 ppm1 1.828 ppm2 4.895
ASSI {  1622}
  (( segid "SEGA" and resid 9  and name HB2  ))
  (( segid "SEGA" and resid 9  and name HA  ))
     6 6 0 peak 1622 weight  0.1000E+01 volume 119.03700 ppm1 1.516 ppm2 4.899
ASSI {  1632}
  (( segid "SEGA" and resid 34  and name HB1  ))
  (( segid "SEGA" and resid 34  and name HA  ))
     6 6 0 peak 1632 weight  0.1000E+01 volume 79.51090 ppm1 1.468 ppm2 4.569
ASSI {  1642}
  (( segid "SEGA" and resid 9  and name HG1  ))
  (( segid "SEGA" and resid 9  and name HA  ))
     6 6 0 peak 1642 weight  0.1000E+01 volume 104.28370 ppm1 1.198 ppm2 4.894
ASSI {  1652}
  (( segid "SEGA" and resid 34  and name HD1#  ))
  (( segid "SEGA" and resid 34  and name HA  ))
     6 6 0 peak 1652 weight  0.1000E+01 volume 42.40830 ppm1 0.513 ppm2 4.552
ASSI {  1662}
  (( segid "SEGA" and resid 25  and name HG2  ))
  (( segid "SEGA" and resid 25  and name HA  ))
     6 6 0 peak 1662 weight  0.1000E+01 volume 106.62080 ppm1 2.424 ppm2 4.589
ASSI {  1672}
  (( segid "SEGA" and resid 25  and name HB1  ))
  (( segid "SEGA" and resid 25  and name HA  ))
     6 6 0 peak 1672 weight  0.1000E+01 volume 103.46990 ppm1 2.289 ppm2 4.585
ASSI {  1682}
  (( segid "SEGA" and resid 25  and name HB2  ))
  (( segid "SEGA" and resid 25  and name HA  ))
     6 6 0 peak 1682 weight  0.1000E+01 volume 216.24350 ppm1 2.002 ppm2 4.581
ASSI {  1692}
  (( segid "SEGA" and resid 114  and name HD2  ))
  (( segid "SEGA" and resid 113  and name HA  ))
     6 6 0 peak 1692 weight  0.1000E+01 volume 58.90050 ppm1 3.756 ppm2 4.602
ASSI {  1702}
  (( segid "SEGA" and resid 114  and name HD1  ))
  (( segid "SEGA" and resid 113  and name HA  ))
     6 6 0 peak 1702 weight  0.1000E+01 volume 64.34270 ppm1 3.630 ppm2 4.599
ASSI {  1712}
  (( segid "SEGA" and resid 20  and name HB#  ))
  (( segid "SEGA" and resid 20  and name HA  ))
     6 6 0 peak 1712 weight  0.1000E+01 volume 10.77480 ppm1 2.138 ppm2 4.691
ASSI {  1722}
  (( segid "SEGA" and resid 82  and name HB#  ))
  (( segid "SEGA" and resid 82  and name HA  ))
     6 6 0 peak 1722 weight  0.1000E+01 volume 311.98331 ppm1 1.532 ppm2 4.255
ASSI {  1732}
  (( segid "SEGA" and resid 26  and name HB2  ))
  (( segid "SEGA" and resid 93  and name HA  ))
     6 6 0 peak 1732 weight  0.1000E+01 volume 85.49720 ppm1 1.474 ppm2 4.689
ASSI {  1742}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 20  and name HA  ))
     6 6 0 peak 1742 weight  0.1000E+01 volume 25.70800 ppm1 1.061 ppm2 4.694
ASSI {  1752}
  (( segid "SEGA" and resid 6  and name HG1#  ))
  (( segid "SEGA" and resid 20  and name HA  ))
     6 6 0 peak 1752 weight  0.1000E+01 volume 81.20800 ppm1 0.883 ppm2 4.701
ASSI {  1762}
  (( segid "SEGA" and resid 56  and name HB1  ))
  (( segid "SEGA" and resid 56  and name HA  ))
     6 6 0 peak 1762 weight  0.1000E+01 volume 171.80569 ppm1 3.071 ppm2 4.801
ASSI {  1772}
  (( segid "SEGA" and resid 101  and name HD1#  ))
  (( segid "SEGA" and resid 20  and name HA  ))
     6 6 0 peak 1772 weight  0.1000E+01 volume 68.91420 ppm1 0.672 ppm2 4.699
ASSI {  1782}
  (( segid "SEGA" and resid 38  and name HD1  ))
  (( segid "SEGA" and resid 38  and name HA  ))
     6 6 0 peak 1782 weight  0.1000E+01 volume 95.71660 ppm1 3.571 ppm2 4.975
ASSI {  1792}
  (( segid "SEGA" and resid 38  and name HD2  ))
  (( segid "SEGA" and resid 38  and name HA  ))
     6 6 0 peak 1792 weight  0.1000E+01 volume 135.22160 ppm1 3.289 ppm2 4.975
ASSI {  1802}
  (( segid "SEGA" and resid 56  and name HB2  ))
  (( segid "SEGA" and resid 56  and name HA  ))
     6 6 0 peak 1802 weight  0.1000E+01 volume 178.44720 ppm1 2.942 ppm2 4.803
ASSI {  1812}
  (( segid "SEGA" and resid 78  and name HB1  ))
  (( segid "SEGA" and resid 78  and name HA  ))
     6 6 0 peak 1812 weight  0.1000E+01 volume 11.03910 ppm1 2.870 ppm2 5.891
ASSI {  1822}
  (( segid "SEGA" and resid 57  and name HG2  ))
  (( segid "SEGA" and resid 57  and name HA  ))
     6 6 0 peak 1822 weight  0.1000E+01 volume 40.07320 ppm1 2.516 ppm2 4.994
ASSI {  1842}
  (( segid "SEGA" and resid 50  and name HD1  ))
  (( segid "SEGA" and resid 47  and name HA  ))
     6 6 0 peak 1842 weight  0.1000E+01 volume 21.92260 ppm1 7.209 ppm2 4.830
ASSI {  1852}
  (( segid "SEGA" and resid 35  and name HA  ))
  (( segid "SEGA" and resid 61  and name HA  ))
     6 6 0 peak 1852 weight  0.1000E+01 volume 121.06170 ppm1 5.359 ppm2 4.749
ASSI {  1862}
  (( segid "SEGA" and resid 66  and name HB#  ))
  (( segid "SEGA" and resid 66  and name HA  ))
     6 6 0 peak 1862 weight  0.1000E+01 volume 23.17650 ppm1 1.672 ppm2 4.741
ASSI {  1872}
  (( segid "SEGA" and resid 61  and name HB#  ))
  (( segid "SEGA" and resid 61  and name HA  ))
     6 6 0 peak 1872 weight  0.1000E+01 volume 126.46600 ppm1 1.560 ppm2 4.743
ASSI {  1882}
  (( segid "SEGA" and resid 47  and name HD2#  ))
  (( segid "SEGA" and resid 47  and name HA  ))
     6 6 0 peak 1882 weight  0.1000E+01 volume 79.45330 ppm1 0.869 ppm2 4.831
ASSI {  1892}
  (( segid "SEGA" and resid 60  and name HB2  ))
  (( segid "SEGA" and resid 60  and name HA  ))
     6 6 0 peak 1892 weight  0.1000E+01 volume 15.62490 ppm1 2.276 ppm2 4.984
ASSI {  1902}
  (( segid "SEGA" and resid 60  and name HE#  ))
  (( segid "SEGA" and resid 60  and name HA  ))
     6 6 0 peak 1902 weight  0.1000E+01 volume 51.38440 ppm1 1.863 ppm2 4.990
ASSI {  1912}
  (( segid "SEGA" and resid 102  and name HG2#  ))
  (( segid "SEGA" and resid 69  and name HA  ))
     6 6 0 peak 1912 weight  0.1000E+01 volume 4.59050 ppm1 0.884 ppm2 4.994
ASSI {  1922}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 60  and name HA  ))
     6 6 0 peak 1922 weight  0.1000E+01 volume 103.06040 ppm1 -0.357 ppm2 4.985
ASSI {  1932}
  (( segid "SEGA" and resid 69  and name HB1  ))
  (( segid "SEGA" and resid 69  and name HA  ))
     6 6 0 peak 1932 weight  0.1000E+01 volume 27.67230 ppm1 2.855 ppm2 4.987
ASSI {  1942}
  (( segid "SEGA" and resid 69  and name HB2  ))
  (( segid "SEGA" and resid 69  and name HA  ))
     6 6 0 peak 1942 weight  0.1000E+01 volume 18.28470 ppm1 2.709 ppm2 4.988
ASSI {  1952}
  (( segid "SEGA" and resid 62  and name HB1  ))
  (( segid "SEGA" and resid 62  and name HA  ))
     6 6 0 peak 1952 weight  0.1000E+01 volume 89.98550 ppm1 1.847 ppm2 4.465
ASSI {  1962}
  (( segid "SEGA" and resid 62  and name HG  ))
  (( segid "SEGA" and resid 62  and name HA  ))
     6 6 0 peak 1962 weight  0.1000E+01 volume 65.02150 ppm1 1.676 ppm2 4.477
ASSI {  1972}
  (( segid "SEGA" and resid 62  and name HD2#  ))
  (( segid "SEGA" and resid 62  and name HA  ))
     6 6 0 peak 1972 weight  0.1000E+01 volume 160.26550 ppm1 0.697 ppm2 4.470
ASSI {  1982}
  (( segid "SEGA" and resid 91  and name HA  ))
  (( segid "SEGA" and resid 76  and name HA  ))
     6 6 0 peak 1982 weight  0.1000E+01 volume 46.16330 ppm1 4.617 ppm2 5.069
ASSI {  1992}
  (( segid "SEGA" and resid 91  and name HG2#  ))
  (( segid "SEGA" and resid 76  and name HA  ))
     6 6 0 peak 1992 weight  0.1000E+01 volume 42.95040 ppm1 1.098 ppm2 5.069
ASSI {  2002}
  (( segid "SEGA" and resid 92  and name HD1#  ))
  (( segid "SEGA" and resid 76  and name HA  ))
     6 6 0 peak 2002 weight  0.1000E+01 volume 9.43600 ppm1 0.823 ppm2 5.066
ASSI {  2012}
  (( segid "SEGA" and resid 23  and name HA  ))
  (( segid "SEGA" and resid 96  and name HA  ))
     6 6 0 peak 2012 weight  0.1000E+01 volume 92.15730 ppm1 4.918 ppm2 4.651
ASSI {  2022}
  (( segid "SEGA" and resid 23  and name HB1  ))
  (( segid "SEGA" and resid 96  and name HA  ))
     6 6 0 peak 2022 weight  0.1000E+01 volume 43.74320 ppm1 4.028 ppm2 4.653
ASSI {  2032}
  (( segid "SEGA" and resid 96  and name HB#  ))
  (( segid "SEGA" and resid 96  and name HA  ))
     6 6 0 peak 2032 weight  0.1000E+01 volume 400.27780 ppm1 1.527 ppm2 4.652
ASSI {  2042}
  (( segid "SEGA" and resid 37  and name HA  ))
  (( segid "SEGA" and resid 59  and name HA  ))
     6 6 0 peak 2042 weight  0.1000E+01 volume 98.81500 ppm1 5.289 ppm2 5.728
ASSI {  2052}
  (( segid "SEGA" and resid 59  and name HB#  ))
  (( segid "SEGA" and resid 59  and name HA  ))
     6 6 0 peak 2052 weight  0.1000E+01 volume 74.63010 ppm1 1.403 ppm2 5.733
ASSI {  2062}
  (( segid "SEGA" and resid 37  and name HG2#  ))
  (( segid "SEGA" and resid 59  and name HA  ))
     6 6 0 peak 2062 weight  0.1000E+01 volume 32.46720 ppm1 0.955 ppm2 5.733
ASSI {  2072}
  (( segid "SEGA" and resid 61  and name HB#  ))
  (( segid "SEGA" and resid 65  and name HA1  ))
     6 6 0 peak 2072 weight  0.1000E+01 volume 7.47200 ppm1 1.571 ppm2 4.262
ASSI {  2082}
  (( segid "SEGA" and resid 63  and name HA1  ))
  (( segid "SEGA" and resid 63  and name HA2  ))
     6 6 0 peak 2082 weight  0.1000E+01 volume 78.04230 ppm1 3.801 ppm2 3.292
ASSI {  2092}
  (( segid "SEGA" and resid 63  and name HA2  ))
  (( segid "SEGA" and resid 63  and name HA1  ))
     6 6 0 peak 2092 weight  0.1000E+01 volume 72.73010 ppm1 3.283 ppm2 3.800
ASSI {  2102}
  (( segid "SEGA" and resid 15  and name HA1  ))
  (( segid "SEGA" and resid 15  and name HA2  ))
     6 6 0 peak 2102 weight  0.1000E+01 volume 109.06720 ppm1 4.259 ppm2 3.851
ASSI {  2112}
  (( segid "SEGA" and resid 15  and name HA2  ))
  (( segid "SEGA" and resid 15  and name HA1  ))
     6 6 0 peak 2112 weight  0.1000E+01 volume 64.77020 ppm1 3.844 ppm2 4.241
ASSI {  2122}
  (( segid "SEGA" and resid 98  and name HA1  ))
  (( segid "SEGA" and resid 98  and name HA2  ))
     6 6 0 peak 2122 weight  0.1000E+01 volume 171.42590 ppm1 4.509 ppm2 3.838
ASSI {  2132}
  (( segid "SEGA" and resid 98  and name HA2  ))
  (( segid "SEGA" and resid 98  and name HA1  ))
     6 6 0 peak 2132 weight  0.1000E+01 volume 255.03230 ppm1 3.827 ppm2 4.506
ASSI {  2142}
  (( segid "SEGA" and resid 14  and name HA1  ))
  (( segid "SEGA" and resid 14  and name HA2  ))
     6 6 0 peak 2142 weight  0.1000E+01 volume 72.38990 ppm1 4.549 ppm2 3.678
ASSI {  2152}
  (( segid "SEGA" and resid 14  and name HA2  ))
  (( segid "SEGA" and resid 14  and name HA1  ))
     6 6 0 peak 2152 weight  0.1000E+01 volume 89.38260 ppm1 3.671 ppm2 4.550
ASSI {  2162}
  (( segid "SEGA" and resid 34  and name HB1  ))
  (( segid "SEGA" and resid 34  and name HB2  ))
     6 6 0 peak 2162 weight  0.1000E+01 volume 143.32040 ppm1 1.492 ppm2 1.406
ASSI {  2172}
  (( segid "SEGA" and resid 62  and name HD1#  ))
  (( segid "SEGA" and resid 34  and name HB1  ))
     6 6 0 peak 2172 weight  0.1000E+01 volume 12.92450 ppm1 0.747 ppm2 1.507
ASSI {  2182}
  (( segid "SEGA" and resid 62  and name HD1#  ))
  (( segid "SEGA" and resid 34  and name HB2  ))
     6 6 0 peak 2182 weight  0.1000E+01 volume 29.78880 ppm1 0.747 ppm2 1.397
ASSI {  2192}
  (( segid "SEGA" and resid 34  and name HD2#  ))
  (( segid "SEGA" and resid 34  and name HB2  ))
     6 6 0 peak 2192 weight  0.1000E+01 volume 47.08380 ppm1 0.465 ppm2 1.402
ASSI {  2202}
  (( segid "SEGA" and resid 34  and name HD2#  ))
  (( segid "SEGA" and resid 34  and name HB1  ))
     6 6 0 peak 2202 weight  0.1000E+01 volume 45.76410 ppm1 0.462 ppm2 1.510
ASSI {  2212}
  (( segid "SEGA" and resid 90  and name HD1  ))
  (( segid "SEGA" and resid 90  and name HB2  ))
     6 6 0 peak 2212 weight  0.1000E+01 volume 44.27080 ppm1 6.920 ppm2 2.503
ASSI {  2222}
  (( segid "SEGA" and resid 80  and name HD2#  ))
  (( segid "SEGA" and resid 80  and name HB2  ))
     6 6 0 peak 2222 weight  0.1000E+01 volume 43.74980 ppm1 0.594 ppm2 1.496
ASSI {  2232}
  (( segid "SEGA" and resid 90  and name HD1  ))
  (( segid "SEGA" and resid 90  and name HB1  ))
     6 6 0 peak 2232 weight  0.1000E+01 volume 51.41450 ppm1 6.915 ppm2 2.869
ASSI {  2242}
  (( segid "SEGA" and resid 34  and name HA  ))
  (( segid "SEGA" and resid 86  and name HD2  ))
     6 6 0 peak 2242 weight  0.1000E+01 volume 11.30620 ppm1 4.500 ppm2 3.214
ASSI {  2252}
  (( segid "SEGA" and resid 90  and name HB2  ))
  (( segid "SEGA" and resid 90  and name HB1  ))
     6 6 0 peak 2252 weight  0.1000E+01 volume 47.01540 ppm1 2.507 ppm2 2.865
ASSI {  2262}
  (( segid "SEGA" and resid 79  and name HB2  ))
  (( segid "SEGA" and resid 88  and name HD1  ))
     6 6 0 peak 2262 weight  0.1000E+01 volume 101.51750 ppm1 1.905 ppm2 3.216
ASSI {  2272}
  (( segid "SEGA" and resid 86  and name HG2  ))
  (( segid "SEGA" and resid 86  and name HD2  ))
     6 6 0 peak 2272 weight  0.1000E+01 volume 443.87411 ppm1 1.616 ppm2 3.213
ASSI {  2282}
  (( segid "SEGA" and resid 88  and name HB1  ))
  (( segid "SEGA" and resid 88  and name HD1  ))
     6 6 0 peak 2282 weight  0.1000E+01 volume 47.48170 ppm1 1.379 ppm2 3.213
ASSI {  2292}
  (( segid "SEGA" and resid 7  and name HA  ))
  (( segid "SEGA" and resid 7  and name HB  ))
     6 6 0 peak 2292 weight  0.1000E+01 volume 22.02200 ppm1 4.973 ppm2 1.730
ASSI {  2302}
  (( segid "SEGA" and resid 2  and name HB2  ))
  (( segid "SEGA" and resid 7  and name HB  ))
     6 6 0 peak 2302 weight  0.1000E+01 volume 42.07710 ppm1 3.466 ppm2 1.740
ASSI {  2312}
  (( segid "SEGA" and resid 21  and name HD2  ))
  (( segid "SEGA" and resid 7  and name HB  ))
     6 6 0 peak 2312 weight  0.1000E+01 volume 16.75180 ppm1 3.255 ppm2 1.737
ASSI {  2322}
  (( segid "SEGA" and resid 7  and name HG11  ))
  (( segid "SEGA" and resid 7  and name HB  ))
     6 6 0 peak 2322 weight  0.1000E+01 volume 16.85610 ppm1 1.101 ppm2 1.729
ASSI {  2332}
  (( segid "SEGA" and resid 38  and name HA  ))
  (( segid "SEGA" and resid 38  and name HD1  ))
     6 6 0 peak 2332 weight  0.1000E+01 volume 115.58730 ppm1 4.971 ppm2 3.573
ASSI {  2342}
  (( segid "SEGA" and resid 38  and name HA  ))
  (( segid "SEGA" and resid 38  and name HD2  ))
     6 6 0 peak 2342 weight  0.1000E+01 volume 93.49390 ppm1 4.969 ppm2 3.296
ASSI {  2352}
  (( segid "SEGA" and resid 38  and name HD1  ))
  (( segid "SEGA" and resid 38  and name HD2  ))
     6 6 0 peak 2352 weight  0.1000E+01 volume 164.31000 ppm1 3.574 ppm2 3.299
ASSI {  2362}
  (( segid "SEGA" and resid 38  and name HD2  ))
  (( segid "SEGA" and resid 38  and name HD1  ))
     6 6 0 peak 2362 weight  0.1000E+01 volume 184.29700 ppm1 3.292 ppm2 3.570
ASSI {  2372}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 95  and name HB  ))
     6 6 0 peak 2372 weight  0.1000E+01 volume 90.36420 ppm1 1.112 ppm2 1.856
ASSI {  2382}
  (( segid "SEGA" and resid 95  and name HD1#  ))
  (( segid "SEGA" and resid 95  and name HB  ))
     6 6 0 peak 2382 weight  0.1000E+01 volume 62.78770 ppm1 0.687 ppm2 1.851
ASSI {  2392}
  (( segid "SEGA" and resid 116  and name HA  ))
  (( segid "SEGA" and resid 116  and name HB1  ))
     6 6 0 peak 2392 weight  0.1000E+01 volume 65.76380 ppm1 4.242 ppm2 1.580
ASSI {  2402}
  (( segid "SEGA" and resid 116  and name HG  ))
  (( segid "SEGA" and resid 116  and name HB1  ))
     6 6 0 peak 2402 weight  0.1000E+01 volume 38.96420 ppm1 1.461 ppm2 1.589
ASSI {  2412}
  (( segid "SEGA" and resid 111  and name HD1#  ))
  (( segid "SEGA" and resid 111  and name HB1  ))
     6 6 0 peak 2412 weight  0.1000E+01 volume 86.92100 ppm1 0.986 ppm2 1.749
ASSI {  2422}
  (( segid "SEGA" and resid 111  and name HD2#  ))
  (( segid "SEGA" and resid 111  and name HB1  ))
     6 6 0 peak 2422 weight  0.1000E+01 volume 138.20641 ppm1 0.914 ppm2 1.746
ASSI {  2432}
  (( segid "SEGA" and resid 29  and name HD1#  ))
  (( segid "SEGA" and resid 29  and name HB1  ))
     6 6 0 peak 2432 weight  0.1000E+01 volume 21.26690 ppm1 0.367 ppm2 1.967
ASSI {  2442}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 22  and name HE1  ))
     6 6 0 peak 2442 weight  0.1000E+01 volume 23.42830 ppm1 7.252 ppm2 2.883
ASSI {  2452}
  (( segid "SEGA" and resid 52  and name HD1  ))
  (( segid "SEGA" and resid 52  and name HB1  ))
     6 6 0 peak 2452 weight  0.1000E+01 volume 13.39360 ppm1 7.243 ppm2 3.116
ASSI {  2462}
  (( segid "SEGA" and resid 107  and name HA  ))
  (( segid "SEGA" and resid 107  and name HB2  ))
     6 6 0 peak 2462 weight  0.1000E+01 volume 64.44600 ppm1 4.758 ppm2 2.775
ASSI {  2472}
  (( segid "SEGA" and resid 73  and name HB2  ))
  (( segid "SEGA" and resid 73  and name HB1  ))
     6 6 0 peak 2472 weight  0.1000E+01 volume 358.75409 ppm1 2.399 ppm2 2.725
ASSI {  2482}
  (( segid "SEGA" and resid 19  and name HD1  ))
  (( segid "SEGA" and resid 9  and name HE1  ))
     6 6 0 peak 2482 weight  0.1000E+01 volume 11.98420 ppm1 7.308 ppm2 2.274
ASSI {  2492}
  (( segid "SEGA" and resid 13  and name HA  ))
  (( segid "SEGA" and resid 13  and name HB1  ))
     6 6 0 peak 2492 weight  0.1000E+01 volume 3.84150 ppm1 4.322 ppm2 1.956
ASSI {  2502}
  (( segid "SEGA" and resid 13  and name HA  ))
  (( segid "SEGA" and resid 13  and name HB2  ))
     6 6 0 peak 2502 weight  0.1000E+01 volume 13.46230 ppm1 4.325 ppm2 1.685
ASSI {  2512}
  (( segid "SEGA" and resid 9  and name HE1  ))
  (( segid "SEGA" and resid 9  and name HE2  ))
     6 6 0 peak 2512 weight  0.1000E+01 volume 229.53340 ppm1 2.271 ppm2 2.151
ASSI {  2522}
  (( segid "SEGA" and resid 13  and name HB1  ))
  (( segid "SEGA" and resid 13  and name HB2  ))
     6 6 0 peak 2522 weight  0.1000E+01 volume 7.71970 ppm1 1.959 ppm2 1.671
ASSI {  2532}
  (( segid "SEGA" and resid 13  and name HB2  ))
  (( segid "SEGA" and resid 13  and name HB1  ))
     6 6 0 peak 2532 weight  0.1000E+01 volume 25.33650 ppm1 1.671 ppm2 1.960
ASSI {  2542}
  (( segid "SEGA" and resid 9  and name HD1  ))
  (( segid "SEGA" and resid 9  and name HE2  ))
     6 6 0 peak 2542 weight  0.1000E+01 volume 229.94901 ppm1 1.202 ppm2 2.152
ASSI {  2552}
  (( segid "SEGA" and resid 9  and name HD1  ))
  (( segid "SEGA" and resid 9  and name HE1  ))
     6 6 0 peak 2552 weight  0.1000E+01 volume 135.20039 ppm1 1.203 ppm2 2.278
ASSI {  2562}
  (( segid "SEGA" and resid 9  and name HG2  ))
  (( segid "SEGA" and resid 9  and name HE1  ))
     6 6 0 peak 2562 weight  0.1000E+01 volume 89.24850 ppm1 0.980 ppm2 2.280
ASSI {  2572}
  (( segid "SEGA" and resid 9  and name HG2  ))
  (( segid "SEGA" and resid 9  and name HE2  ))
     6 6 0 peak 2572 weight  0.1000E+01 volume 112.66340 ppm1 0.982 ppm2 2.157
ASSI {  2582}
  (( segid "SEGA" and resid 13  and name HD1#  ))
  (( segid "SEGA" and resid 13  and name HB2  ))
     6 6 0 peak 2582 weight  0.1000E+01 volume 40.18890 ppm1 0.930 ppm2 1.682
ASSI {  2592}
  (( segid "SEGA" and resid 13  and name HD1#  ))
  (( segid "SEGA" and resid 13  and name HB1  ))
     6 6 0 peak 2592 weight  0.1000E+01 volume 66.87490 ppm1 0.925 ppm2 1.956
ASSI {  2602}
  (( segid "SEGA" and resid 7  and name HD1#  ))
  (( segid "SEGA" and resid 9  and name HE1  ))
     6 6 0 peak 2602 weight  0.1000E+01 volume 63.09350 ppm1 0.928 ppm2 2.280
ASSI {  2612}
  (( segid "SEGA" and resid 103  and name HG2#  ))
  (( segid "SEGA" and resid 103  and name HB  ))
     6 6 0 peak 2612 weight  0.1000E+01 volume 84.49510 ppm1 0.522 ppm2 2.097
ASSI {  2622}
  (( segid "SEGA" and resid 49  and name HA  ))
  (( segid "SEGA" and resid 49  and name HB1  ))
     6 6 0 peak 2622 weight  0.1000E+01 volume 79.45490 ppm1 4.437 ppm2 2.378
ASSI {  2632}
  (( segid "SEGA" and resid 49  and name HA  ))
  (( segid "SEGA" and resid 49  and name HB2  ))
     6 6 0 peak 2632 weight  0.1000E+01 volume 18.91460 ppm1 4.433 ppm2 2.059
ASSI {  2642}
  (( segid "SEGA" and resid 49  and name HB1  ))
  (( segid "SEGA" and resid 49  and name HB2  ))
     6 6 0 peak 2642 weight  0.1000E+01 volume 111.25450 ppm1 2.380 ppm2 2.051
ASSI {  2652}
  (( segid "SEGA" and resid 49  and name HB2  ))
  (( segid "SEGA" and resid 49  and name HB1  ))
     6 6 0 peak 2652 weight  0.1000E+01 volume 84.21510 ppm1 2.055 ppm2 2.380
ASSI {  2662}
  (( segid "SEGA" and resid 102  and name HG2#  ))
  (( segid "SEGA" and resid 69  and name HB1  ))
     6 6 0 peak 2662 weight  0.1000E+01 volume 30.43470 ppm1 0.911 ppm2 2.849
ASSI {  2672}
  (( segid "SEGA" and resid 102  and name HG2#  ))
  (( segid "SEGA" and resid 69  and name HB2  ))
     6 6 0 peak 2672 weight  0.1000E+01 volume 17.56700 ppm1 0.914 ppm2 2.712
ASSI {  2682}
  (( segid "SEGA" and resid 36  and name HD1#  ))
  (( segid "SEGA" and resid 36  and name HB  ))
     6 6 0 peak 2682 weight  0.1000E+01 volume 44.30320 ppm1 0.263 ppm2 1.749
ASSI {  2692}
  (( segid "SEGA" and resid 105  and name HE1  ))
  (( segid "SEGA" and resid 105  and name HB1  ))
     6 6 0 peak 2692 weight  0.1000E+01 volume 11.68220 ppm1 6.642 ppm2 3.016
ASSI {  2702}
  (( segid "SEGA" and resid 105  and name HE1  ))
  (( segid "SEGA" and resid 105  and name HB2  ))
     6 6 0 peak 2702 weight  0.1000E+01 volume 11.53000 ppm1 6.646 ppm2 2.780
ASSI {  2712}
  (( segid "SEGA" and resid 92  and name HA  ))
  (( segid "SEGA" and resid 92  and name HB  ))
     6 6 0 peak 2712 weight  0.1000E+01 volume 136.78520 ppm1 4.721 ppm2 2.260
ASSI {  2722}
  (( segid "SEGA" and resid 105  and name HA  ))
  (( segid "SEGA" and resid 105  and name HB2  ))
     6 6 0 peak 2722 weight  0.1000E+01 volume 10.63590 ppm1 4.451 ppm2 2.804
ASSI {  2732}
  (( segid "SEGA" and resid 105  and name HB1  ))
  (( segid "SEGA" and resid 105  and name HB2  ))
     6 6 0 peak 2732 weight  0.1000E+01 volume 86.27970 ppm1 3.046 ppm2 2.796
ASSI {  2742}
  (( segid "SEGA" and resid 105  and name HB2  ))
  (( segid "SEGA" and resid 105  and name HB1  ))
     6 6 0 peak 2742 weight  0.1000E+01 volume 70.82620 ppm1 2.782 ppm2 3.035
ASSI {  2752}
  (( segid "SEGA" and resid 92  and name HD1#  ))
  (( segid "SEGA" and resid 92  and name HB  ))
     6 6 0 peak 2752 weight  0.1000E+01 volume 115.41690 ppm1 0.828 ppm2 2.260
ASSI {  2762}
  (( segid "SEGA" and resid 40  and name HB1  ))
  (( segid "SEGA" and resid 40  and name HB2  ))
     6 6 0 peak 2762 weight  0.1000E+01 volume 257.60989 ppm1 2.905 ppm2 2.673
ASSI {  2772}
  (( segid "SEGA" and resid 40  and name HB2  ))
  (( segid "SEGA" and resid 40  and name HB1  ))
     6 6 0 peak 2772 weight  0.1000E+01 volume 250.05290 ppm1 2.679 ppm2 2.906
ASSI {  2782}
  (( segid "SEGA" and resid 92  and name HG11  ))
  (( segid "SEGA" and resid 92  and name HB  ))
     6 6 0 peak 2782 weight  0.1000E+01 volume 31.91210 ppm1 1.132 ppm2 2.262
ASSI {  2792}
  (( segid "SEGA" and resid 40  and name HA  ))
  (( segid "SEGA" and resid 40  and name HB1  ))
     6 6 0 peak 2792 weight  0.1000E+01 volume 60.41330 ppm1 4.645 ppm2 2.883
ASSI {  2802}
  (( segid "SEGA" and resid 40  and name HA  ))
  (( segid "SEGA" and resid 40  and name HB2  ))
     6 6 0 peak 2802 weight  0.1000E+01 volume 56.57410 ppm1 4.679 ppm2 2.669
ASSI {  2812}
  (( segid "SEGA" and resid 56  and name HA  ))
  (( segid "SEGA" and resid 56  and name HB1  ))
     6 6 0 peak 2812 weight  0.1000E+01 volume 131.96310 ppm1 4.807 ppm2 3.078
ASSI {  2822}
  (( segid "SEGA" and resid 56  and name HA  ))
  (( segid "SEGA" and resid 56  and name HB2  ))
     6 6 0 peak 2822 weight  0.1000E+01 volume 222.55611 ppm1 4.803 ppm2 2.934
ASSI {  2832}
  (( segid "SEGA" and resid 97  and name HA  ))
  (( segid "SEGA" and resid 97  and name HB  ))
     6 6 0 peak 2832 weight  0.1000E+01 volume 120.66940 ppm1 3.251 ppm2 1.611
ASSI {  2842}
  (( segid "SEGA" and resid 56  and name HB1  ))
  (( segid "SEGA" and resid 56  and name HB2  ))
     6 6 0 peak 2842 weight  0.1000E+01 volume 325.73969 ppm1 3.076 ppm2 2.931
ASSI {  2852}
  (( segid "SEGA" and resid 56  and name HB2  ))
  (( segid "SEGA" and resid 56  and name HB1  ))
     6 6 0 peak 2852 weight  0.1000E+01 volume 388.29019 ppm1 2.939 ppm2 3.075
ASSI {  2862}
  (( segid "SEGA" and resid 97  and name HD1#  ))
  (( segid "SEGA" and resid 97  and name HB  ))
     6 6 0 peak 2862 weight  0.1000E+01 volume 77.43060 ppm1 1.013 ppm2 1.609
ASSI {  2872}
  (( segid "SEGA" and resid 97  and name HG2#  ))
  (( segid "SEGA" and resid 97  and name HB  ))
     6 6 0 peak 2872 weight  0.1000E+01 volume 394.16730 ppm1 0.901 ppm2 1.612
ASSI {  2882}
  (( segid "SEGA" and resid 97  and name HG12  ))
  (( segid "SEGA" and resid 97  and name HB  ))
     6 6 0 peak 2882 weight  0.1000E+01 volume 125.10380 ppm1 0.641 ppm2 1.607
ASSI {  2892}
  (( segid "SEGA" and resid 28  and name HA  ))
  (( segid "SEGA" and resid 28  and name HG1  ))
     6 6 0 peak 2892 weight  0.1000E+01 volume 152.00200 ppm1 4.502 ppm2 2.513
ASSI {  2902}
  (( segid "SEGA" and resid 99  and name HG1  ))
  (( segid "SEGA" and resid 99  and name HG2  ))
     6 6 0 peak 2902 weight  0.1000E+01 volume 601.10052 ppm1 2.515 ppm2 2.360
ASSI {  2912}
  (( segid "SEGA" and resid 99  and name HG2  ))
  (( segid "SEGA" and resid 99  and name HG1  ))
     6 6 0 peak 2912 weight  0.1000E+01 volume 616.47681 ppm1 2.355 ppm2 2.521
ASSI {  2922}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 99  and name HG2  ))
     6 6 0 peak 2922 weight  0.1000E+01 volume 53.36490 ppm1 1.100 ppm2 2.358
ASSI {  2932}
  (( segid "SEGA" and resid 6  and name HG1#  ))
  (( segid "SEGA" and resid 6  and name HB  ))
     6 6 0 peak 2932 weight  0.1000E+01 volume 83.80020 ppm1 0.863 ppm2 2.082
ASSI {  2942}
  (( segid "SEGA" and resid 6  and name HG2#  ))
  (( segid "SEGA" and resid 6  and name HB  ))
     6 6 0 peak 2942 weight  0.1000E+01 volume 112.48580 ppm1 0.475 ppm2 2.084
ASSI {  2952}
  (( segid "SEGA" and resid 25  and name HB1  ))
  (( segid "SEGA" and resid 25  and name HG1  ))
     6 6 0 peak 2952 weight  0.1000E+01 volume 264.68921 ppm1 2.293 ppm2 2.515
ASSI {  2962}
  (( segid "SEGA" and resid 90  and name HE1  ))
  (( segid "SEGA" and resid 79  and name HG1  ))
     6 6 0 peak 2962 weight  0.1000E+01 volume 5.04090 ppm1 7.289 ppm2 2.205
ASSI {  2972}
  (( segid "SEGA" and resid 25  and name HA  ))
  (( segid "SEGA" and resid 25  and name HG1  ))
     6 6 0 peak 2972 weight  0.1000E+01 volume 121.12590 ppm1 4.584 ppm2 2.517
ASSI {  2982}
  (( segid "SEGA" and resid 25  and name HA  ))
  (( segid "SEGA" and resid 25  and name HG2  ))
     6 6 0 peak 2982 weight  0.1000E+01 volume 193.90450 ppm1 4.584 ppm2 2.424
ASSI {  2992}
  (( segid "SEGA" and resid 79  and name HA  ))
  (( segid "SEGA" and resid 79  and name HG1  ))
     6 6 0 peak 2992 weight  0.1000E+01 volume 47.00030 ppm1 4.571 ppm2 2.187
ASSI {  3002}
  (( segid "SEGA" and resid 25  and name HB2  ))
  (( segid "SEGA" and resid 25  and name HG1  ))
     6 6 0 peak 3002 weight  0.1000E+01 volume 126.84350 ppm1 1.985 ppm2 2.515
ASSI {  3012}
  (( segid "SEGA" and resid 25  and name HB2  ))
  (( segid "SEGA" and resid 25  and name HG2  ))
     6 6 0 peak 3012 weight  0.1000E+01 volume 276.32370 ppm1 1.984 ppm2 2.423
ASSI {  3022}
  (( segid "SEGA" and resid 79  and name HB2  ))
  (( segid "SEGA" and resid 79  and name HG1  ))
     6 6 0 peak 3022 weight  0.1000E+01 volume 97.17610 ppm1 1.941 ppm2 2.187
ASSI {  3032}
  (( segid "SEGA" and resid 9  and name HA  ))
  (( segid "SEGA" and resid 9  and name HB1  ))
     6 6 0 peak 3032 weight  0.1000E+01 volume 196.74609 ppm1 4.894 ppm2 1.822
ASSI {  3042}
  (( segid "SEGA" and resid 57  and name HE#  ))
  (( segid "SEGA" and resid 57  and name HB2  ))
     6 6 0 peak 3042 weight  0.1000E+01 volume 124.34850 ppm1 2.097 ppm2 1.809
ASSI {  3052}
  (( segid "SEGA" and resid 9  and name HB2  ))
  (( segid "SEGA" and resid 9  and name HB1  ))
     6 6 0 peak 3052 weight  0.1000E+01 volume 7.64860 ppm1 1.523 ppm2 1.830
ASSI {  3062}
  (( segid "SEGA" and resid 9  and name HD1  ))
  (( segid "SEGA" and resid 9  and name HB1  ))
     6 6 0 peak 3062 weight  0.1000E+01 volume 169.69009 ppm1 1.201 ppm2 1.828
ASSI {  3072}
  (( segid "SEGA" and resid 9  and name HG2  ))
  (( segid "SEGA" and resid 9  and name HB1  ))
     6 6 0 peak 3072 weight  0.1000E+01 volume 130.85300 ppm1 0.977 ppm2 1.833
ASSI {  3082}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 57  and name HB2  ))
     6 6 0 peak 3082 weight  0.1000E+01 volume 39.65800 ppm1 0.875 ppm2 1.808
ASSI {  3092}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 57  and name HB1  ))
     6 6 0 peak 3092 weight  0.1000E+01 volume 32.09620 ppm1 0.869 ppm2 2.071
ASSI {  3102}
  (( segid "SEGA" and resid 57  and name HA  ))
  (( segid "SEGA" and resid 57  and name HB2  ))
     6 6 0 peak 3102 weight  0.1000E+01 volume 23.42630 ppm1 5.011 ppm2 1.808
ASSI {  3112}
  (( segid "SEGA" and resid 57  and name HG1  ))
  (( segid "SEGA" and resid 57  and name HB2  ))
     6 6 0 peak 3112 weight  0.1000E+01 volume 102.38690 ppm1 2.766 ppm2 1.862
ASSI {  3122}
  (( segid "SEGA" and resid 57  and name HG2  ))
  (( segid "SEGA" and resid 57  and name HB2  ))
     6 6 0 peak 3122 weight  0.1000E+01 volume 265.89670 ppm1 2.512 ppm2 1.865
ASSI {  3132}
  (( segid "SEGA" and resid 48  and name HB2  ))
  (( segid "SEGA" and resid 48  and name HG1  ))
     6 6 0 peak 3132 weight  0.1000E+01 volume 77.27170 ppm1 1.990 ppm2 2.349
ASSI {  3142}
  (( segid "SEGA" and resid 45  and name HA  ))
  (( segid "SEGA" and resid 48  and name HG1  ))
     6 6 0 peak 3142 weight  0.1000E+01 volume 62.41540 ppm1 4.329 ppm2 2.350
ASSI {  3162}
  (( segid "SEGA" and resid 48  and name HA  ))
  (( segid "SEGA" and resid 48  and name HG2  ))
     6 6 0 peak 3162 weight  0.1000E+01 volume 9.24490 ppm1 3.779 ppm2 2.204
ASSI {  3172}
  (( segid "SEGA" and resid 48  and name HA  ))
  (( segid "SEGA" and resid 48  and name HG1  ))
     6 6 0 peak 3172 weight  0.1000E+01 volume 25.57160 ppm1 3.778 ppm2 2.356
ASSI {  3182}
  (( segid "SEGA" and resid 48  and name HG1  ))
  (( segid "SEGA" and resid 48  and name HG2  ))
     6 6 0 peak 3182 weight  0.1000E+01 volume 307.52170 ppm1 2.371 ppm2 2.198
ASSI {  3192}
  (( segid "SEGA" and resid 48  and name HB1  ))
  (( segid "SEGA" and resid 48  and name HG1  ))
     6 6 0 peak 3192 weight  0.1000E+01 volume 252.92900 ppm1 2.141 ppm2 2.343
ASSI {  3202}
  (( segid "SEGA" and resid 37  and name HA  ))
  (( segid "SEGA" and resid 37  and name HB  ))
     6 6 0 peak 3202 weight  0.1000E+01 volume 32.58450 ppm1 5.294 ppm2 2.069
ASSI {  3222}
  (( segid "SEGA" and resid 118  and name HB1  ))
  (( segid "SEGA" and resid 118  and name HG1  ))
     6 6 0 peak 3222 weight  0.1000E+01 volume 90.12280 ppm1 2.209 ppm2 2.413
ASSI {  3232}
  (( segid "SEGA" and resid 118  and name HB2  ))
  (( segid "SEGA" and resid 118  and name HG1  ))
     6 6 0 peak 3232 weight  0.1000E+01 volume 24.13570 ppm1 2.057 ppm2 2.407
ASSI {  3242}
  (( segid "SEGA" and resid 37  and name HG1#  ))
  (( segid "SEGA" and resid 37  and name HB  ))
     6 6 0 peak 3242 weight  0.1000E+01 volume 60.54850 ppm1 1.096 ppm2 2.065
ASSI {  3252}
  (( segid "SEGA" and resid 37  and name HG2#  ))
  (( segid "SEGA" and resid 37  and name HB  ))
     6 6 0 peak 3252 weight  0.1000E+01 volume 240.60719 ppm1 0.960 ppm2 2.070
ASSI {  3262}
  (( segid "SEGA" and resid 79  and name HA  ))
  (( segid "SEGA" and resid 79  and name HB1  ))
     6 6 0 peak 3262 weight  0.1000E+01 volume 39.88810 ppm1 4.574 ppm2 2.101
ASSI {  3272}
  (( segid "SEGA" and resid 79  and name HA  ))
  (( segid "SEGA" and resid 79  and name HB2  ))
     6 6 0 peak 3272 weight  0.1000E+01 volume 70.92180 ppm1 4.582 ppm2 1.915
ASSI {  3282}
  (( segid "SEGA" and resid 79  and name HB1  ))
  (( segid "SEGA" and resid 79  and name HB2  ))
     6 6 0 peak 3282 weight  0.1000E+01 volume 259.40680 ppm1 2.108 ppm2 1.920
ASSI {  3292}
  (( segid "SEGA" and resid 79  and name HB2  ))
  (( segid "SEGA" and resid 79  and name HB1  ))
     6 6 0 peak 3292 weight  0.1000E+01 volume 176.31630 ppm1 1.917 ppm2 2.100
ASSI {  3302}
  (( segid "SEGA" and resid 30  and name HG1#  ))
  (( segid "SEGA" and resid 30  and name HB  ))
     6 6 0 peak 3302 weight  0.1000E+01 volume 112.11230 ppm1 0.791 ppm2 1.453
ASSI {  3312}
  (( segid "SEGA" and resid 30  and name HG2#  ))
  (( segid "SEGA" and resid 30  and name HB  ))
     6 6 0 peak 3312 weight  0.1000E+01 volume 85.79580 ppm1 0.440 ppm2 1.453
ASSI {  3322}
  (( segid "SEGA" and resid 93  and name HA  ))
  (( segid "SEGA" and resid 26  and name HB2  ))
     6 6 0 peak 3322 weight  0.1000E+01 volume 12.71490 ppm1 4.704 ppm2 1.484
ASSI {  3332}
  (( segid "SEGA" and resid 26  and name HA  ))
  (( segid "SEGA" and resid 26  and name HB1  ))
     6 6 0 peak 3332 weight  0.1000E+01 volume 81.56180 ppm1 3.634 ppm2 1.781
ASSI {  3342}
  (( segid "SEGA" and resid 26  and name HA  ))
  (( segid "SEGA" and resid 26  and name HB2  ))
     6 6 0 peak 3342 weight  0.1000E+01 volume 91.70350 ppm1 3.636 ppm2 1.481
ASSI {  3352}
  (( segid "SEGA" and resid 26  and name HB1  ))
  (( segid "SEGA" and resid 26  and name HB2  ))
     6 6 0 peak 3352 weight  0.1000E+01 volume 493.98541 ppm1 1.775 ppm2 1.474
ASSI {  3362}
  (( segid "SEGA" and resid 26  and name HG1  ))
  (( segid "SEGA" and resid 26  and name HB1  ))
     6 6 0 peak 3362 weight  0.1000E+01 volume 74.79260 ppm1 1.241 ppm2 1.786
ASSI {  3372}
  (( segid "SEGA" and resid 26  and name HG1  ))
  (( segid "SEGA" and resid 26  and name HB2  ))
     6 6 0 peak 3372 weight  0.1000E+01 volume 77.69230 ppm1 1.240 ppm2 1.472
ASSI {  3382}
  (( segid "SEGA" and resid 26  and name HG2  ))
  (( segid "SEGA" and resid 26  and name HB1  ))
     6 6 0 peak 3382 weight  0.1000E+01 volume 75.60250 ppm1 1.076 ppm2 1.782
ASSI {  3392}
  (( segid "SEGA" and resid 26  and name HG2  ))
  (( segid "SEGA" and resid 26  and name HB2  ))
     6 6 0 peak 3392 weight  0.1000E+01 volume 67.51030 ppm1 1.078 ppm2 1.474
ASSI {  3402}
  (( segid "SEGA" and resid 18  and name HG1#  ))
  (( segid "SEGA" and resid 18  and name HB  ))
     6 6 0 peak 3402 weight  0.1000E+01 volume 80.57410 ppm1 0.476 ppm2 1.391
ASSI {  3412}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 28  and name HB1  ))
     6 6 0 peak 3412 weight  0.1000E+01 volume 133.03850 ppm1 7.250 ppm2 2.268
ASSI {  3422}
  (( segid "SEGA" and resid 33  and name HA  ))
  (( segid "SEGA" and resid 33  and name HB1  ))
     6 6 0 peak 3422 weight  0.1000E+01 volume 177.50999 ppm1 4.996 ppm2 3.217
ASSI {  3432}
  (( segid "SEGA" and resid 33  and name HA  ))
  (( segid "SEGA" and resid 33  and name HB2  ))
     6 6 0 peak 3432 weight  0.1000E+01 volume 144.09250 ppm1 5.002 ppm2 2.655
ASSI {  3442}
  (( segid "SEGA" and resid 33  and name HB1  ))
  (( segid "SEGA" and resid 33  and name HB2  ))
     6 6 0 peak 3442 weight  0.1000E+01 volume 156.97620 ppm1 3.218 ppm2 2.649
ASSI {  3452}
  (( segid "SEGA" and resid 33  and name HB2  ))
  (( segid "SEGA" and resid 33  and name HB1  ))
     6 6 0 peak 3452 weight  0.1000E+01 volume 111.47500 ppm1 2.641 ppm2 3.217
ASSI {  3462}
  (( segid "SEGA" and resid 28  and name HG2  ))
  (( segid "SEGA" and resid 28  and name HB1  ))
     6 6 0 peak 3462 weight  0.1000E+01 volume 127.10220 ppm1 2.606 ppm2 2.265
ASSI {  3472}
  (( segid "SEGA" and resid 91  and name HG2#  ))
  (( segid "SEGA" and resid 28  and name HB1  ))
     6 6 0 peak 3472 weight  0.1000E+01 volume 85.49180 ppm1 1.110 ppm2 2.269
ASSI {  3482}
  (( segid "SEGA" and resid 28  and name HA  ))
  (( segid "SEGA" and resid 28  and name HB1  ))
     6 6 0 peak 3482 weight  0.1000E+01 volume 260.83499 ppm1 4.540 ppm2 2.275
ASSI {  3492}
  (( segid "SEGA" and resid 1  and name HA  ))
  (( segid "SEGA" and resid 1  and name HG2  ))
     6 6 0 peak 3492 weight  0.1000E+01 volume 28.74570 ppm1 3.913 ppm2 2.522
ASSI {  3502}
  (( segid "SEGA" and resid 1  and name HA  ))
  (( segid "SEGA" and resid 1  and name HG1  ))
     6 6 0 peak 3502 weight  0.1000E+01 volume 35.11560 ppm1 3.911 ppm2 2.756
ASSI {  3512}
  (( segid "SEGA" and resid 28  and name HG1  ))
  (( segid "SEGA" and resid 28  and name HB1  ))
     6 6 0 peak 3512 weight  0.1000E+01 volume 283.98361 ppm1 2.506 ppm2 2.267
ASSI {  3522}
  (( segid "SEGA" and resid 1  and name HB2  ))
  (( segid "SEGA" and resid 1  and name HG1  ))
     6 6 0 peak 3522 weight  0.1000E+01 volume 150.47971 ppm1 1.861 ppm2 2.758
ASSI {  3532}
  (( segid "SEGA" and resid 1  and name HB2  ))
  (( segid "SEGA" and resid 1  and name HG2  ))
     6 6 0 peak 3532 weight  0.1000E+01 volume 184.80119 ppm1 1.863 ppm2 2.518
ASSI {  3542}
  (( segid "SEGA" and resid 57  and name HA  ))
  (( segid "SEGA" and resid 57  and name HG2  ))
     6 6 0 peak 3542 weight  0.1000E+01 volume 62.56570 ppm1 5.019 ppm2 2.521
ASSI {  3552}
  (( segid "SEGA" and resid 57  and name HA  ))
  (( segid "SEGA" and resid 57  and name HG1  ))
     6 6 0 peak 3552 weight  0.1000E+01 volume 60.66340 ppm1 5.021 ppm2 2.733
ASSI {  3562}
  (( segid "SEGA" and resid 57  and name HG1  ))
  (( segid "SEGA" and resid 57  and name HG2  ))
     6 6 0 peak 3562 weight  0.1000E+01 volume 603.41119 ppm1 2.761 ppm2 2.516
ASSI {  3572}
  (( segid "SEGA" and resid 57  and name HG2  ))
  (( segid "SEGA" and resid 57  and name HG1  ))
     6 6 0 peak 3572 weight  0.1000E+01 volume 901.11481 ppm1 2.518 ppm2 2.750
ASSI {  3582}
  (( segid "SEGA" and resid 57  and name HE#  ))
  (( segid "SEGA" and resid 57  and name HG1  ))
     6 6 0 peak 3582 weight  0.1000E+01 volume 114.42130 ppm1 2.094 ppm2 2.746
ASSI {  3592}
  (( segid "SEGA" and resid 25  and name HA  ))
  (( segid "SEGA" and resid 25  and name HB2  ))
     6 6 0 peak 3592 weight  0.1000E+01 volume 373.84091 ppm1 4.588 ppm2 1.990
ASSI {  3602}
  (( segid "SEGA" and resid 94  and name HG1  ))
  (( segid "SEGA" and resid 94  and name HB1  ))
     6 6 0 peak 3602 weight  0.1000E+01 volume 148.51190 ppm1 2.284 ppm2 2.555
ASSI {  3612}
  (( segid "SEGA" and resid 94  and name HB2  ))
  (( segid "SEGA" and resid 94  and name HB1  ))
     6 6 0 peak 3612 weight  0.1000E+01 volume 244.79210 ppm1 2.002 ppm2 2.558
ASSI {  3622}
  (( segid "SEGA" and resid 39  and name HD2  ))
  (( segid "SEGA" and resid 39  and name HB1  ))
     6 6 0 peak 3622 weight  0.1000E+01 volume 13.72470 ppm1 7.299 ppm2 3.273
ASSI {  3632}
  (( segid "SEGA" and resid 39  and name HA  ))
  (( segid "SEGA" and resid 39  and name HB1  ))
     6 6 0 peak 3632 weight  0.1000E+01 volume 44.29670 ppm1 4.948 ppm2 3.271
ASSI {  3642}
  (( segid "SEGA" and resid 94  and name HA  ))
  (( segid "SEGA" and resid 94  and name HB2  ))
     6 6 0 peak 3642 weight  0.1000E+01 volume 187.02409 ppm1 4.612 ppm2 1.999
ASSI {  3652}
  (( segid "SEGA" and resid 25  and name HA  ))
  (( segid "SEGA" and resid 25  and name HB1  ))
     6 6 0 peak 3652 weight  0.1000E+01 volume 210.43120 ppm1 4.589 ppm2 2.285
ASSI {  3662}
  (( segid "SEGA" and resid 25  and name HG1  ))
  (( segid "SEGA" and resid 25  and name HB2  ))
     6 6 0 peak 3662 weight  0.1000E+01 volume 449.97931 ppm1 2.522 ppm2 1.993
ASSI {  3672}
  (( segid "SEGA" and resid 35  and name HB1  ))
  (( segid "SEGA" and resid 35  and name HB2  ))
     6 6 0 peak 3672 weight  0.1000E+01 volume 18.08730 ppm1 3.261 ppm2 2.441
ASSI {  3682}
  (( segid "SEGA" and resid 25  and name HG1  ))
  (( segid "SEGA" and resid 25  and name HB1  ))
     6 6 0 peak 3682 weight  0.1000E+01 volume 173.63251 ppm1 2.517 ppm2 2.292
ASSI {  3692}
  (( segid "SEGA" and resid 25  and name HG2  ))
  (( segid "SEGA" and resid 25  and name HB2  ))
     6 6 0 peak 3692 weight  0.1000E+01 volume 329.70340 ppm1 2.431 ppm2 1.989
ASSI {  3702}
  (( segid "SEGA" and resid 96  and name HB#  ))
  (( segid "SEGA" and resid 99  and name HB1  ))
     6 6 0 peak 3702 weight  0.1000E+01 volume 26.82660 ppm1 1.517 ppm2 2.293
ASSI {  3712}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 99  and name HB1  ))
     6 6 0 peak 3712 weight  0.1000E+01 volume 101.05250 ppm1 1.092 ppm2 2.290
ASSI {  3722}
  (( segid "SEGA" and resid 22  and name HA  ))
  (( segid "SEGA" and resid 97  and name HG12  ))
     6 6 0 peak 3722 weight  0.1000E+01 volume 46.31900 ppm1 4.589 ppm2 0.645
ASSI {  3732}
  (( segid "SEGA" and resid 118  and name HA  ))
  (( segid "SEGA" and resid 118  and name HB1  ))
     6 6 0 peak 3732 weight  0.1000E+01 volume 18.44180 ppm1 4.450 ppm2 2.208
ASSI {  3742}
  (( segid "SEGA" and resid 118  and name HA  ))
  (( segid "SEGA" and resid 118  and name HB2  ))
     6 6 0 peak 3742 weight  0.1000E+01 volume 78.38950 ppm1 4.412 ppm2 2.070
ASSI {  3752}
  (( segid "SEGA" and resid 45  and name HA  ))
  (( segid "SEGA" and resid 48  and name HB2  ))
     6 6 0 peak 3752 weight  0.1000E+01 volume 62.28320 ppm1 4.336 ppm2 1.994
ASSI {  3762}
  (( segid "SEGA" and resid 48  and name HA  ))
  (( segid "SEGA" and resid 48  and name HB2  ))
     6 6 0 peak 3762 weight  0.1000E+01 volume 148.22090 ppm1 3.780 ppm2 1.972
ASSI {  3772}
  (( segid "SEGA" and resid 94  and name HD1  ))
  (( segid "SEGA" and resid 26  and name HD1  ))
     6 6 0 peak 3772 weight  0.1000E+01 volume 76.52150 ppm1 3.773 ppm2 1.761
ASSI {  3782}
  (( segid "SEGA" and resid 97  and name HA  ))
  (( segid "SEGA" and resid 97  and name HG12  ))
     6 6 0 peak 3782 weight  0.1000E+01 volume 87.93210 ppm1 3.252 ppm2 0.641
ASSI {  3792}
  (( segid "SEGA" and resid 118  and name HG1  ))
  (( segid "SEGA" and resid 118  and name HB1  ))
     6 6 0 peak 3792 weight  0.1000E+01 volume 39.68430 ppm1 2.417 ppm2 2.222
ASSI {  3802}
  (( segid "SEGA" and resid 48  and name HG2  ))
  (( segid "SEGA" and resid 48  and name HB1  ))
     6 6 0 peak 3802 weight  0.1000E+01 volume 86.09990 ppm1 2.291 ppm2 2.119
ASSI {  3812}
  (( segid "SEGA" and resid 48  and name HG2  ))
  (( segid "SEGA" and resid 48  and name HB2  ))
     6 6 0 peak 3812 weight  0.1000E+01 volume 82.56090 ppm1 2.290 ppm2 1.990
ASSI {  3822}
  (( segid "SEGA" and resid 118  and name HB1  ))
  (( segid "SEGA" and resid 118  and name HB2  ))
     6 6 0 peak 3822 weight  0.1000E+01 volume 167.77370 ppm1 2.203 ppm2 2.056
ASSI {  3832}
  (( segid "SEGA" and resid 118  and name HB2  ))
  (( segid "SEGA" and resid 118  and name HB1  ))
     6 6 0 peak 3832 weight  0.1000E+01 volume 138.13960 ppm1 2.049 ppm2 2.211
ASSI {  3842}
  (( segid "SEGA" and resid 97  and name HG11  ))
  (( segid "SEGA" and resid 97  and name HG12  ))
     6 6 0 peak 3842 weight  0.1000E+01 volume 211.98120 ppm1 1.610 ppm2 0.637
ASSI {  3852}
  (( segid "SEGA" and resid 26  and name HG1  ))
  (( segid "SEGA" and resid 26  and name HD1  ))
     6 6 0 peak 3852 weight  0.1000E+01 volume 221.83360 ppm1 1.237 ppm2 1.761
ASSI {  3862}
  (( segid "SEGA" and resid 26  and name HG2  ))
  (( segid "SEGA" and resid 26  and name HD1  ))
     6 6 0 peak 3862 weight  0.1000E+01 volume 293.28091 ppm1 1.072 ppm2 1.764
ASSI {  3872}
  (( segid "SEGA" and resid 97  and name HD1#  ))
  (( segid "SEGA" and resid 97  and name HG12  ))
     6 6 0 peak 3872 weight  0.1000E+01 volume 201.35730 ppm1 1.011 ppm2 0.640
ASSI {  3882}
  (( segid "SEGA" and resid 97  and name HG2#  ))
  (( segid "SEGA" and resid 97  and name HG12  ))
     6 6 0 peak 3882 weight  0.1000E+01 volume 115.06570 ppm1 0.900 ppm2 0.634
ASSI {  3892}
  (( segid "SEGA" and resid 45  and name HA  ))
  (( segid "SEGA" and resid 48  and name HB1  ))
     6 6 0 peak 3892 weight  0.1000E+01 volume 78.01160 ppm1 4.333 ppm2 2.115
ASSI {  3902}
  (( segid "SEGA" and resid 48  and name HA  ))
  (( segid "SEGA" and resid 48  and name HB1  ))
     6 6 0 peak 3902 weight  0.1000E+01 volume 211.88780 ppm1 3.775 ppm2 2.111
ASSI {  3912}
  (( segid "SEGA" and resid 110  and name HA  ))
  (( segid "SEGA" and resid 110  and name HB1  ))
     6 6 0 peak 3912 weight  0.1000E+01 volume 18.64290 ppm1 4.533 ppm2 3.368
ASSI {  3922}
  (( segid "SEGA" and resid 110  and name HA  ))
  (( segid "SEGA" and resid 110  and name HB2  ))
     6 6 0 peak 3922 weight  0.1000E+01 volume 18.87310 ppm1 4.531 ppm2 3.209
ASSI {  3932}
  (( segid "SEGA" and resid 110  and name HB1  ))
  (( segid "SEGA" and resid 110  and name HB2  ))
     6 6 0 peak 3932 weight  0.1000E+01 volume 82.89280 ppm1 3.381 ppm2 3.206
ASSI {  3942}
  (( segid "SEGA" and resid 110  and name HB2  ))
  (( segid "SEGA" and resid 110  and name HB1  ))
     6 6 0 peak 3942 weight  0.1000E+01 volume 53.47810 ppm1 3.210 ppm2 3.375
ASSI {  3952}
  (( segid "SEGA" and resid 9  and name HE1  ))
  (( segid "SEGA" and resid 9  and name HD1  ))
     6 6 0 peak 3952 weight  0.1000E+01 volume 89.91600 ppm1 2.271 ppm2 1.221
ASSI {  3962}
  (( segid "SEGA" and resid 9  and name HE2  ))
  (( segid "SEGA" and resid 9  and name HD1  ))
     6 6 0 peak 3962 weight  0.1000E+01 volume 149.04010 ppm1 2.160 ppm2 1.224
ASSI {  3972}
  (( segid "SEGA" and resid 9  and name HB1  ))
  (( segid "SEGA" and resid 9  and name HD1  ))
     6 6 0 peak 3972 weight  0.1000E+01 volume 116.09300 ppm1 1.832 ppm2 1.220
ASSI {  3982}
  (( segid "SEGA" and resid 9  and name HG2  ))
  (( segid "SEGA" and resid 9  and name HD1  ))
     6 6 0 peak 3982 weight  0.1000E+01 volume 192.45200 ppm1 0.981 ppm2 1.219
ASSI {  3992}
  (( segid "SEGA" and resid 94  and name HA  ))
  (( segid "SEGA" and resid 94  and name HG1  ))
     6 6 0 peak 3992 weight  0.1000E+01 volume 53.63430 ppm1 4.610 ppm2 2.283
ASSI {  4002}
  (( segid "SEGA" and resid 94  and name HA  ))
  (( segid "SEGA" and resid 94  and name HG2  ))
     6 6 0 peak 4002 weight  0.1000E+01 volume 86.87130 ppm1 4.618 ppm2 2.123
ASSI {  4012}
  (( segid "SEGA" and resid 94  and name HD1  ))
  (( segid "SEGA" and resid 94  and name HG1  ))
     6 6 0 peak 4012 weight  0.1000E+01 volume 183.56210 ppm1 3.773 ppm2 2.283
ASSI {  4022}
  (( segid "SEGA" and resid 94  and name HD1  ))
  (( segid "SEGA" and resid 94  and name HG2  ))
     6 6 0 peak 4022 weight  0.1000E+01 volume 228.74820 ppm1 3.775 ppm2 2.122
ASSI {  4032}
  (( segid "SEGA" and resid 94  and name HB1  ))
  (( segid "SEGA" and resid 94  and name HG2  ))
     6 6 0 peak 4032 weight  0.1000E+01 volume 93.02200 ppm1 2.561 ppm2 2.125
ASSI {  4042}
  (( segid "SEGA" and resid 94  and name HB1  ))
  (( segid "SEGA" and resid 94  and name HG1  ))
     6 6 0 peak 4042 weight  0.1000E+01 volume 134.74989 ppm1 2.557 ppm2 2.281
ASSI {  4052}
  (( segid "SEGA" and resid 94  and name HG1  ))
  (( segid "SEGA" and resid 94  and name HG2  ))
     6 6 0 peak 4052 weight  0.1000E+01 volume 161.35020 ppm1 2.290 ppm2 2.124
ASSI {  4062}
  (( segid "SEGA" and resid 94  and name HG2  ))
  (( segid "SEGA" and resid 94  and name HG1  ))
     6 6 0 peak 4062 weight  0.1000E+01 volume 332.28720 ppm1 2.119 ppm2 2.283
ASSI {  4072}
  (( segid "SEGA" and resid 94  and name HB2  ))
  (( segid "SEGA" and resid 94  and name HG1  ))
     6 6 0 peak 4072 weight  0.1000E+01 volume 146.09180 ppm1 1.999 ppm2 2.283
ASSI {  4082}
  (( segid "SEGA" and resid 43  and name HE3  ))
  (( segid "SEGA" and resid 47  and name HD1#  ))
     6 6 0 peak 4082 weight  0.1000E+01 volume 32.90770 ppm1 8.280 ppm2 1.451
ASSI {  4092}
  (( segid "SEGA" and resid 43  and name HH2  ))
  (( segid "SEGA" and resid 47  and name HD1#  ))
     6 6 0 peak 4092 weight  0.1000E+01 volume 66.23820 ppm1 6.916 ppm2 1.455
ASSI {  4102}
  (( segid "SEGA" and resid 36  and name HG11  ))
  (( segid "SEGA" and resid 36  and name HG12  ))
     6 6 0 peak 4102 weight  0.1000E+01 volume 37.12340 ppm1 1.307 ppm2 1.025
ASSI {  4112}
  (( segid "SEGA" and resid 36  and name HG12  ))
  (( segid "SEGA" and resid 36  and name HG11  ))
     6 6 0 peak 4112 weight  0.1000E+01 volume 29.33870 ppm1 1.018 ppm2 1.316
ASSI {  4122}
  (( segid "SEGA" and resid 62  and name HD1#  ))
  (( segid "SEGA" and resid 36  and name HG11  ))
     6 6 0 peak 4122 weight  0.1000E+01 volume 17.56860 ppm1 0.738 ppm2 1.319
ASSI {  4132}
  (( segid "SEGA" and resid 36  and name HA  ))
  (( segid "SEGA" and resid 36  and name HG12  ))
     6 6 0 peak 4132 weight  0.1000E+01 volume 65.57790 ppm1 4.400 ppm2 1.017
ASSI {  4142}
  (( segid "SEGA" and resid 36  and name HG2#  ))
  (( segid "SEGA" and resid 36  and name HG12  ))
     6 6 0 peak 4142 weight  0.1000E+01 volume 67.56440 ppm1 0.764 ppm2 1.031
ASSI {  4152}
  (( segid "SEGA" and resid 36  and name HD1#  ))
  (( segid "SEGA" and resid 36  and name HG11  ))
     6 6 0 peak 4152 weight  0.1000E+01 volume 21.25260 ppm1 0.270 ppm2 1.314
ASSI {  4162}
  (( segid "SEGA" and resid 90  and name HE1  ))
  (( segid "SEGA" and resid 29  and name HD2#  ))
     6 6 0 peak 4162 weight  0.1000E+01 volume 63.07210 ppm1 7.286 ppm2 0.909
ASSI {  4172}
  (( segid "SEGA" and resid 29  and name HA  ))
  (( segid "SEGA" and resid 29  and name HD2#  ))
     6 6 0 peak 4172 weight  0.1000E+01 volume 20.20240 ppm1 4.110 ppm2 0.919
ASSI {  4182}
  (( segid "SEGA" and resid 29  and name HB1  ))
  (( segid "SEGA" and resid 29  and name HD2#  ))
     6 6 0 peak 4182 weight  0.1000E+01 volume 277.23459 ppm1 1.976 ppm2 0.921
ASSI {  4192}
  (( segid "SEGA" and resid 29  and name HG  ))
  (( segid "SEGA" and resid 29  and name HD2#  ))
     6 6 0 peak 4192 weight  0.1000E+01 volume 258.49500 ppm1 1.185 ppm2 0.924
ASSI {  4202}
  (( segid "SEGA" and resid 29  and name HD1#  ))
  (( segid "SEGA" and resid 29  and name HD2#  ))
     6 6 0 peak 4202 weight  0.1000E+01 volume 406.03699 ppm1 0.371 ppm2 0.919
ASSI {  4232}
  (( segid "SEGA" and resid 111  and name HA  ))
  (( segid "SEGA" and resid 111  and name HD1#  ))
     6 6 0 peak 4232 weight  0.1000E+01 volume 94.30080 ppm1 4.495 ppm2 0.978
ASSI {  4242}
  (( segid "SEGA" and resid 51  and name HD2#  ))
  (( segid "SEGA" and resid 51  and name HG  ))
     6 6 0 peak 4242 weight  0.1000E+01 volume 19.87770 ppm1 0.076 ppm2 1.548
ASSI {  4252}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 51  and name HG  ))
     6 6 0 peak 4252 weight  0.1000E+01 volume 14.73270 ppm1 -0.357 ppm2 1.561
ASSI {  4262}
  (( segid "SEGA" and resid 59  and name HA  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 4262 weight  0.1000E+01 volume 110.31880 ppm1 5.750 ppm2 1.405
ASSI {  4272}
  (( segid "SEGA" and resid 34  and name HA  ))
  (( segid "SEGA" and resid 34  and name HD2#  ))
     6 6 0 peak 4272 weight  0.1000E+01 volume 26.58340 ppm1 4.557 ppm2 0.374
ASSI {  4282}
  (( segid "SEGA" and resid 13  and name HA  ))
  (( segid "SEGA" and resid 13  and name HD2#  ))
     6 6 0 peak 4282 weight  0.1000E+01 volume 20.64460 ppm1 4.318 ppm2 0.921
ASSI {  4292}
  (( segid "SEGA" and resid 26  and name HA  ))
  (( segid "SEGA" and resid 26  and name HG1  ))
     6 6 0 peak 4292 weight  0.1000E+01 volume 78.16210 ppm1 3.628 ppm2 1.240
ASSI {  4302}
  (( segid "SEGA" and resid 26  and name HE1  ))
  (( segid "SEGA" and resid 26  and name HG1  ))
     6 6 0 peak 4302 weight  0.1000E+01 volume 167.12080 ppm1 3.066 ppm2 1.234
ASSI {  4312}
  (( segid "SEGA" and resid 26  and name HE1  ))
  (( segid "SEGA" and resid 26  and name HG2  ))
     6 6 0 peak 4312 weight  0.1000E+01 volume 146.44930 ppm1 3.060 ppm2 1.080
ASSI {  4332}
  (( segid "SEGA" and resid 84  and name HB1  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 4332 weight  0.1000E+01 volume 42.02360 ppm1 2.287 ppm2 1.402
ASSI {  4342}
  (( segid "SEGA" and resid 26  and name HB1  ))
  (( segid "SEGA" and resid 26  and name HG1  ))
     6 6 0 peak 4342 weight  0.1000E+01 volume 320.37500 ppm1 1.773 ppm2 1.239
ASSI {  4352}
  (( segid "SEGA" and resid 26  and name HB1  ))
  (( segid "SEGA" and resid 26  and name HG2  ))
     6 6 0 peak 4352 weight  0.1000E+01 volume 372.41110 ppm1 1.766 ppm2 1.052
ASSI {  4362}
  (( segid "SEGA" and resid 26  and name HB2  ))
  (( segid "SEGA" and resid 26  and name HG2  ))
     6 6 0 peak 4362 weight  0.1000E+01 volume 493.95480 ppm1 1.446 ppm2 1.066
ASSI {  4372}
  (( segid "SEGA" and resid 34  and name HB2  ))
  (( segid "SEGA" and resid 34  and name HD2#  ))
     6 6 0 peak 4372 weight  0.1000E+01 volume 136.56281 ppm1 1.406 ppm2 0.381
ASSI {  4382}
  (( segid "SEGA" and resid 37  and name HG1#  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 4382 weight  0.1000E+01 volume 271.62210 ppm1 1.064 ppm2 1.416
ASSI {  4392}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 4392 weight  0.1000E+01 volume 151.56470 ppm1 0.873 ppm2 1.412
ASSI {  4402}
  (( segid "SEGA" and resid 80  and name HD2#  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 4402 weight  0.1000E+01 volume 28.49090 ppm1 0.592 ppm2 1.409
ASSI {  4412}
  (( segid "SEGA" and resid 91  and name HB  ))
  (( segid "SEGA" and resid 91  and name HG2#  ))
     6 6 0 peak 4412 weight  0.1000E+01 volume 158.66000 ppm1 5.121 ppm2 1.119
ASSI {  4422}
  (( segid "SEGA" and resid 91  and name HA  ))
  (( segid "SEGA" and resid 91  and name HG2#  ))
     6 6 0 peak 4422 weight  0.1000E+01 volume 184.25050 ppm1 4.626 ppm2 1.110
ASSI {  4432}
  (( segid "SEGA" and resid 26  and name HA  ))
  (( segid "SEGA" and resid 26  and name HG2  ))
     6 6 0 peak 4432 weight  0.1000E+01 volume 100.59970 ppm1 3.629 ppm2 1.078
ASSI {  4442}
  (( segid "SEGA" and resid 28  and name HB1  ))
  (( segid "SEGA" and resid 91  and name HG2#  ))
     6 6 0 peak 4442 weight  0.1000E+01 volume 65.67550 ppm1 2.273 ppm2 1.116
ASSI {  4452}
  (( segid "SEGA" and resid 95  and name HG11  ))
  (( segid "SEGA" and resid 91  and name HG2#  ))
     6 6 0 peak 4452 weight  0.1000E+01 volume 16.23810 ppm1 2.032 ppm2 1.117
ASSI {  4462}
  (( segid "SEGA" and resid 26  and name HG1  ))
  (( segid "SEGA" and resid 26  and name HG2  ))
     6 6 0 peak 4462 weight  0.1000E+01 volume 326.73361 ppm1 1.238 ppm2 1.069
ASSI {  4472}
  (( segid "SEGA" and resid 80  and name HD1#  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 4472 weight  0.1000E+01 volume 40.53660 ppm1 0.658 ppm2 1.405
ASSI {  4482}
  (( segid "SEGA" and resid 84  and name HA  ))
  (( segid "SEGA" and resid 84  and name HD1#  ))
     6 6 0 peak 4482 weight  0.1000E+01 volume 80.50590 ppm1 3.672 ppm2 0.836
ASSI {  4492}
  (( segid "SEGA" and resid 80  and name HD1#  ))
  (( segid "SEGA" and resid 84  and name HD1#  ))
     6 6 0 peak 4492 weight  0.1000E+01 volume 278.36740 ppm1 0.662 ppm2 0.841
ASSI {  4502}
  (( segid "SEGA" and resid 80  and name HD2#  ))
  (( segid "SEGA" and resid 84  and name HD1#  ))
     6 6 0 peak 4502 weight  0.1000E+01 volume 120.11910 ppm1 0.598 ppm2 0.841
ASSI {  4512}
  (( segid "SEGA" and resid 47  and name HA  ))
  (( segid "SEGA" and resid 47  and name HD2#  ))
     6 6 0 peak 4512 weight  0.1000E+01 volume 72.75980 ppm1 4.834 ppm2 0.877
ASSI {  4522}
  (( segid "SEGA" and resid 51  and name HA  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 4522 weight  0.1000E+01 volume 30.11960 ppm1 4.142 ppm2 0.099
ASSI {  4542}
  (( segid "SEGA" and resid 58  and name HB2  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 4542 weight  0.1000E+01 volume 36.31280 ppm1 3.305 ppm2 0.104
ASSI {  4552}
  (( segid "SEGA" and resid 84  and name HB1  ))
  (( segid "SEGA" and resid 84  and name HD1#  ))
     6 6 0 peak 4552 weight  0.1000E+01 volume 24.08270 ppm1 2.278 ppm2 0.836
ASSI {  4562}
  (( segid "SEGA" and resid 48  and name HB2  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 4562 weight  0.1000E+01 volume 3.60860 ppm1 1.978 ppm2 0.095
ASSI {  4572}
  (( segid "SEGA" and resid 51  and name HB1  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 4572 weight  0.1000E+01 volume 43.14020 ppm1 1.336 ppm2 0.095
ASSI {  4582}
  (( segid "SEGA" and resid 51  and name HB2  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 4582 weight  0.1000E+01 volume 46.33850 ppm1 0.767 ppm2 0.088
ASSI {  4592}
  (( segid "SEGA" and resid 46  and name HB#  ))
  (( segid "SEGA" and resid 47  and name HD2#  ))
     6 6 0 peak 4592 weight  0.1000E+01 volume 5.24090 ppm1 0.070 ppm2 0.887
ASSI {  4602}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 4602 weight  0.1000E+01 volume 31.84760 ppm1 -0.355 ppm2 0.093
ASSI {  4612}
  (( segid "SEGA" and resid 116  and name HA  ))
  (( segid "SEGA" and resid 116  and name HD2#  ))
     6 6 0 peak 4612 weight  0.1000E+01 volume 46.35440 ppm1 4.242 ppm2 0.842
ASSI {  4622}
  (( segid "SEGA" and resid 111  and name HB1  ))
  (( segid "SEGA" and resid 111  and name HD2#  ))
     6 6 0 peak 4622 weight  0.1000E+01 volume 69.81950 ppm1 1.722 ppm2 0.921
ASSI {  4632}
  (( segid "SEGA" and resid 34  and name HA  ))
  (( segid "SEGA" and resid 34  and name HD1#  ))
     6 6 0 peak 4632 weight  0.1000E+01 volume 190.44679 ppm1 4.554 ppm2 0.550
ASSI {  4642}
  (( segid "SEGA" and resid 86  and name HD2  ))
  (( segid "SEGA" and resid 34  and name HD1#  ))
     6 6 0 peak 4642 weight  0.1000E+01 volume 27.37560 ppm1 3.205 ppm2 0.543
ASSI {  4652}
  (( segid "SEGA" and resid 90  and name HE1  ))
  (( segid "SEGA" and resid 29  and name HD1#  ))
     6 6 0 peak 4652 weight  0.1000E+01 volume 95.29450 ppm1 7.290 ppm2 0.368
ASSI {  4662}
  (( segid "SEGA" and resid 90  and name HD1  ))
  (( segid "SEGA" and resid 29  and name HD1#  ))
     6 6 0 peak 4662 weight  0.1000E+01 volume 63.47260 ppm1 6.914 ppm2 0.368
ASSI {  4672}
  (( segid "SEGA" and resid 88  and name HA  ))
  (( segid "SEGA" and resid 29  and name HD1#  ))
     6 6 0 peak 4672 weight  0.1000E+01 volume 59.93130 ppm1 5.165 ppm2 0.368
ASSI {  4682}
  (( segid "SEGA" and resid 29  and name HA  ))
  (( segid "SEGA" and resid 29  and name HD1#  ))
     6 6 0 peak 4682 weight  0.1000E+01 volume 137.62621 ppm1 4.107 ppm2 0.368
ASSI {  4692}
  (( segid "SEGA" and resid 88  and name HD1  ))
  (( segid "SEGA" and resid 29  and name HD1#  ))
     6 6 0 peak 4692 weight  0.1000E+01 volume 117.85050 ppm1 3.247 ppm2 0.368
ASSI {  4702}
  (( segid "SEGA" and resid 29  and name HB1  ))
  (( segid "SEGA" and resid 29  and name HD1#  ))
     6 6 0 peak 4702 weight  0.1000E+01 volume 105.31940 ppm1 1.980 ppm2 0.367
ASSI {  4712}
  (( segid "SEGA" and resid 62  and name HG  ))
  (( segid "SEGA" and resid 34  and name HD2#  ))
     6 6 0 peak 4712 weight  0.1000E+01 volume 67.22040 ppm1 1.705 ppm2 0.368
ASSI {  4722}
  (( segid "SEGA" and resid 86  and name HG2  ))
  (( segid "SEGA" and resid 34  and name HD1#  ))
     6 6 0 peak 4722 weight  0.1000E+01 volume 115.96290 ppm1 1.613 ppm2 0.546
ASSI {  4732}
  (( segid "SEGA" and resid 29  and name HB2  ))
  (( segid "SEGA" and resid 29  and name HD1#  ))
     6 6 0 peak 4732 weight  0.1000E+01 volume 213.50130 ppm1 1.505 ppm2 0.368
ASSI {  4742}
  (( segid "SEGA" and resid 34  and name HB1  ))
  (( segid "SEGA" and resid 34  and name HD1#  ))
     6 6 0 peak 4742 weight  0.1000E+01 volume 216.80341 ppm1 1.508 ppm2 0.543
ASSI {  4752}
  (( segid "SEGA" and resid 34  and name HB2  ))
  (( segid "SEGA" and resid 34  and name HD1#  ))
     6 6 0 peak 4752 weight  0.1000E+01 volume 120.90530 ppm1 1.401 ppm2 0.543
ASSI {  4762}
  (( segid "SEGA" and resid 88  and name HB1  ))
  (( segid "SEGA" and resid 29  and name HD1#  ))
     6 6 0 peak 4762 weight  0.1000E+01 volume 124.42560 ppm1 1.395 ppm2 0.367
ASSI {  4772}
  (( segid "SEGA" and resid 29  and name HG  ))
  (( segid "SEGA" and resid 29  and name HD1#  ))
     6 6 0 peak 4772 weight  0.1000E+01 volume 149.21700 ppm1 1.189 ppm2 0.368
ASSI {  4782}
  (( segid "SEGA" and resid 29  and name HD2#  ))
  (( segid "SEGA" and resid 29  and name HD1#  ))
     6 6 0 peak 4782 weight  0.1000E+01 volume 479.70721 ppm1 0.916 ppm2 0.367
ASSI {  4792}
  (( segid "SEGA" and resid 24  and name HZ  ))
  (( segid "SEGA" and resid 6  and name HG1#  ))
     6 6 0 peak 4792 weight  0.1000E+01 volume 22.89010 ppm1 7.348 ppm2 0.860
ASSI {  4802}
  (( segid "SEGA" and resid 6  and name HA  ))
  (( segid "SEGA" and resid 6  and name HG1#  ))
     6 6 0 peak 4802 weight  0.1000E+01 volume 157.71140 ppm1 5.663 ppm2 0.861
ASSI {  4812}
  (( segid "SEGA" and resid 5  and name HB1  ))
  (( segid "SEGA" and resid 6  and name HG1#  ))
     6 6 0 peak 4812 weight  0.1000E+01 volume 102.55430 ppm1 2.284 ppm2 0.859
ASSI {  4822}
  (( segid "SEGA" and resid 6  and name HG2#  ))
  (( segid "SEGA" and resid 6  and name HG1#  ))
     6 6 0 peak 4822 weight  0.1000E+01 volume 544.83398 ppm1 0.468 ppm2 0.863
ASSI {  4832}
  (( segid "SEGA" and resid 81  and name HB  ))
  (( segid "SEGA" and resid 81  and name HG2#  ))
     6 6 0 peak 4832 weight  0.1000E+01 volume 221.40340 ppm1 4.797 ppm2 1.277
ASSI {  4842}
  (( segid "SEGA" and resid 86  and name HB1  ))
  (( segid "SEGA" and resid 81  and name HG2#  ))
     6 6 0 peak 4842 weight  0.1000E+01 volume 67.62140 ppm1 1.751 ppm2 1.266
ASSI {  4852}
  (( segid "SEGA" and resid 64  and name HD1  ))
  (( segid "SEGA" and resid 18  and name HG1#  ))
     6 6 0 peak 4852 weight  0.1000E+01 volume 49.83810 ppm1 7.001 ppm2 0.471
ASSI {  4862}
  (( segid "SEGA" and resid 68  and name HE1  ))
  (( segid "SEGA" and resid 18  and name HG1#  ))
     6 6 0 peak 4862 weight  0.1000E+01 volume 198.33369 ppm1 6.858 ppm2 0.477
ASSI {  4872}
  (( segid "SEGA" and resid 13  and name HA  ))
  (( segid "SEGA" and resid 13  and name HD1#  ))
     6 6 0 peak 4872 weight  0.1000E+01 volume 161.27431 ppm1 4.325 ppm2 0.955
ASSI {  4882}
  (( segid "SEGA" and resid 18  and name HA  ))
  (( segid "SEGA" and resid 18  and name HG1#  ))
     6 6 0 peak 4882 weight  0.1000E+01 volume 147.53220 ppm1 4.257 ppm2 0.479
ASSI {  4892}
  (( segid "SEGA" and resid 8  and name HB  ))
  (( segid "SEGA" and resid 8  and name HG2#  ))
     6 6 0 peak 4892 weight  0.1000E+01 volume 112.35750 ppm1 2.088 ppm2 0.471
ASSI {  4902}
  (( segid "SEGA" and resid 13  and name HB1  ))
  (( segid "SEGA" and resid 13  and name HD1#  ))
     6 6 0 peak 4902 weight  0.1000E+01 volume 47.26410 ppm1 1.885 ppm2 0.954
ASSI {  4912}
  (( segid "SEGA" and resid 13  and name HB2  ))
  (( segid "SEGA" and resid 13  and name HD1#  ))
     6 6 0 peak 4912 weight  0.1000E+01 volume 382.10901 ppm1 1.690 ppm2 0.960
ASSI {  4922}
  (( segid "SEGA" and resid 18  and name HG2#  ))
  (( segid "SEGA" and resid 18  and name HG1#  ))
     6 6 0 peak 4922 weight  0.1000E+01 volume 80.10510 ppm1 -0.205 ppm2 0.480
ASSI {  4932}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 18  and name HG1#  ))
     6 6 0 peak 4932 weight  0.1000E+01 volume 76.60120 ppm1 7.491 ppm2 0.460
ASSI {  4942}
  (( segid "SEGA" and resid 37  and name HA  ))
  (( segid "SEGA" and resid 37  and name HG2#  ))
     6 6 0 peak 4942 weight  0.1000E+01 volume 181.39510 ppm1 5.294 ppm2 0.959
ASSI {  4952}
  (( segid "SEGA" and resid 8  and name HA  ))
  (( segid "SEGA" and resid 18  and name HG1#  ))
     6 6 0 peak 4952 weight  0.1000E+01 volume 89.59070 ppm1 5.126 ppm2 0.461
ASSI {  4962}
  (( segid "SEGA" and resid 85  and name HE1  ))
  (( segid "SEGA" and resid 37  and name HG2#  ))
     6 6 0 peak 4962 weight  0.1000E+01 volume 10.44010 ppm1 3.197 ppm2 0.956
ASSI {  4972}
  (( segid "SEGA" and resid 35  and name HB2  ))
  (( segid "SEGA" and resid 37  and name HG2#  ))
     6 6 0 peak 4972 weight  0.1000E+01 volume 28.81000 ppm1 2.505 ppm2 0.960
ASSI {  4982}
  (( segid "SEGA" and resid 84  and name HB1  ))
  (( segid "SEGA" and resid 37  and name HG2#  ))
     6 6 0 peak 4982 weight  0.1000E+01 volume 134.05521 ppm1 2.261 ppm2 0.960
ASSI {  4992}
  (( segid "SEGA" and resid 37  and name HB  ))
  (( segid "SEGA" and resid 37  and name HG2#  ))
     6 6 0 peak 4992 weight  0.1000E+01 volume 571.84271 ppm1 2.074 ppm2 0.960
ASSI {  5012}
  (( segid "SEGA" and resid 59  and name HB#  ))
  (( segid "SEGA" and resid 37  and name HG2#  ))
     6 6 0 peak 5012 weight  0.1000E+01 volume 165.43381 ppm1 1.404 ppm2 0.960
ASSI {  5022}
  (( segid "SEGA" and resid 76  and name HA  ))
  (( segid "SEGA" and resid 76  and name HB#  ))
     6 6 0 peak 5022 weight  0.1000E+01 volume 80.59150 ppm1 5.079 ppm2 1.016
ASSI {  5032}
  (( segid "SEGA" and resid 91  and name HA  ))
  (( segid "SEGA" and resid 76  and name HB#  ))
     6 6 0 peak 5032 weight  0.1000E+01 volume 64.52420 ppm1 4.633 ppm2 1.017
ASSI {  5042}
  (( segid "SEGA" and resid 117  and name HA  ))
  (( segid "SEGA" and resid 117  and name HG2#  ))
     6 6 0 peak 5042 weight  0.1000E+01 volume 250.65880 ppm1 4.438 ppm2 1.267
ASSI {  5052}
  (( segid "SEGA" and resid 45  and name HA  ))
  (( segid "SEGA" and resid 45  and name HG2#  ))
     6 6 0 peak 5052 weight  0.1000E+01 volume 1149.83496 ppm1 4.322 ppm2 1.281
ASSI {  5062}
  (( segid "SEGA" and resid 30  and name HA  ))
  (( segid "SEGA" and resid 30  and name HG2#  ))
     6 6 0 peak 5062 weight  0.1000E+01 volume 207.07910 ppm1 3.979 ppm2 0.443
ASSI {  5082}
  (( segid "SEGA" and resid 103  and name HG2#  ))
  (( segid "SEGA" and resid 76  and name HB#  ))
     6 6 0 peak 5082 weight  0.1000E+01 volume 285.53949 ppm1 0.444 ppm2 0.999
ASSI {  5092}
  (( segid "SEGA" and resid 89  and name HG2#  ))
  (( segid "SEGA" and resid 76  and name HB#  ))
     6 6 0 peak 5092 weight  0.1000E+01 volume 34.40910 ppm1 0.074 ppm2 1.043
ASSI {  5102}
  (( segid "SEGA" and resid 89  and name HG2#  ))
  (( segid "SEGA" and resid 30  and name HG2#  ))
     6 6 0 peak 5102 weight  0.1000E+01 volume 21.25640 ppm1 0.065 ppm2 0.439
ASSI {  5112}
  (( segid "SEGA" and resid 102  and name HA  ))
  (( segid "SEGA" and resid 102  and name HG2#  ))
     6 6 0 peak 5112 weight  0.1000E+01 volume 107.06370 ppm1 5.124 ppm2 0.870
ASSI {  5122}
  (( segid "SEGA" and resid 102  and name HB  ))
  (( segid "SEGA" and resid 102  and name HG2#  ))
     6 6 0 peak 5122 weight  0.1000E+01 volume 140.85010 ppm1 3.909 ppm2 0.863
ASSI {  5132}
  (( segid "SEGA" and resid 69  and name HB1  ))
  (( segid "SEGA" and resid 102  and name HG2#  ))
     6 6 0 peak 5132 weight  0.1000E+01 volume 26.82730 ppm1 2.844 ppm2 0.868
ASSI {  5142}
  (( segid "SEGA" and resid 59  and name HA  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 5142 weight  0.1000E+01 volume 13.52390 ppm1 5.753 ppm2 1.098
ASSI {  5152}
  (( segid "SEGA" and resid 37  and name HA  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 5152 weight  0.1000E+01 volume 199.84790 ppm1 5.289 ppm2 1.099
ASSI {  5162}
  (( segid "SEGA" and resid 51  and name HA  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 5162 weight  0.1000E+01 volume 152.25391 ppm1 4.139 ppm2 -0.356
ASSI {  5182}
  (( segid "SEGA" and resid 84  and name HB1  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 5182 weight  0.1000E+01 volume 56.38100 ppm1 2.268 ppm2 1.095
ASSI {  5192}
  (( segid "SEGA" and resid 57  and name HB2  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 5192 weight  0.1000E+01 volume 86.07580 ppm1 1.796 ppm2 1.098
ASSI {  5202}
  (( segid "SEGA" and resid 84  and name HB2  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 5202 weight  0.1000E+01 volume 143.17751 ppm1 1.705 ppm2 1.098
ASSI {  5212}
  (( segid "SEGA" and resid 59  and name HB#  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 5212 weight  0.1000E+01 volume 93.55030 ppm1 1.400 ppm2 1.102
ASSI {  5222}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 5222 weight  0.1000E+01 volume 355.29300 ppm1 0.870 ppm2 1.096
ASSI {  5232}
  (( segid "SEGA" and resid 60  and name HA  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 5232 weight  0.1000E+01 volume 103.26760 ppm1 4.984 ppm2 -0.356
ASSI {  5242}
  (( segid "SEGA" and resid 60  and name HB2  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 5242 weight  0.1000E+01 volume 18.06140 ppm1 2.266 ppm2 -0.365
ASSI {  5252}
  (( segid "SEGA" and resid 84  and name HG  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 5252 weight  0.1000E+01 volume 142.42650 ppm1 1.531 ppm2 1.098
ASSI {  5262}
  (( segid "SEGA" and resid 51  and name HB2  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 5262 weight  0.1000E+01 volume 40.30120 ppm1 0.758 ppm2 -0.357
ASSI {  5272}
  (( segid "SEGA" and resid 52  and name HE1  ))
  (( segid "SEGA" and resid 61  and name HB#  ))
     6 6 0 peak 5272 weight  0.1000E+01 volume 103.17850 ppm1 7.044 ppm2 1.551
ASSI {  5282}
  (( segid "SEGA" and resid 35  and name HA  ))
  (( segid "SEGA" and resid 61  and name HB#  ))
     6 6 0 peak 5282 weight  0.1000E+01 volume 81.05870 ppm1 5.357 ppm2 1.553
ASSI {  5292}
  (( segid "SEGA" and resid 23  and name HA  ))
  (( segid "SEGA" and resid 96  and name HB#  ))
     6 6 0 peak 5292 weight  0.1000E+01 volume 52.60820 ppm1 4.920 ppm2 1.521
ASSI {  5302}
  (( segid "SEGA" and resid 96  and name HA  ))
  (( segid "SEGA" and resid 96  and name HB#  ))
     6 6 0 peak 5302 weight  0.1000E+01 volume 655.26288 ppm1 4.649 ppm2 1.521
ASSI {  5312}
  (( segid "SEGA" and resid 65  and name HA1  ))
  (( segid "SEGA" and resid 61  and name HB#  ))
     6 6 0 peak 5312 weight  0.1000E+01 volume 78.14590 ppm1 4.228 ppm2 1.553
ASSI {  5322}
  (( segid "SEGA" and resid 99  and name HG2  ))
  (( segid "SEGA" and resid 96  and name HB#  ))
     6 6 0 peak 5322 weight  0.1000E+01 volume 86.47190 ppm1 2.352 ppm2 1.518
ASSI {  5332}
  (( segid "SEGA" and resid 99  and name HB1  ))
  (( segid "SEGA" and resid 96  and name HB#  ))
     6 6 0 peak 5332 weight  0.1000E+01 volume 17.13650 ppm1 2.221 ppm2 1.520
ASSI {  5342}
  (( segid "SEGA" and resid 60  and name HB2  ))
  (( segid "SEGA" and resid 62  and name HD2#  ))
     6 6 0 peak 5342 weight  0.1000E+01 volume 20.51070 ppm1 2.280 ppm2 0.699
ASSI {  5352}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 96  and name HB#  ))
     6 6 0 peak 5352 weight  0.1000E+01 volume 39.03780 ppm1 1.109 ppm2 1.512
ASSI {  5362}
  (( segid "SEGA" and resid 97  and name HG2#  ))
  (( segid "SEGA" and resid 96  and name HB#  ))
     6 6 0 peak 5362 weight  0.1000E+01 volume 10.24360 ppm1 0.898 ppm2 1.520
ASSI {  5372}
  (( segid "SEGA" and resid 62  and name HD2#  ))
  (( segid "SEGA" and resid 61  and name HB#  ))
     6 6 0 peak 5372 weight  0.1000E+01 volume 26.22810 ppm1 0.673 ppm2 1.546
ASSI {  5382}
  (( segid "SEGA" and resid 68  and name HE1  ))
  (( segid "SEGA" and resid 18  and name HG2#  ))
     6 6 0 peak 5382 weight  0.1000E+01 volume 7.79880 ppm1 6.867 ppm2 -0.214
ASSI {  5392}
  (( segid "SEGA" and resid 18  and name HA  ))
  (( segid "SEGA" and resid 18  and name HG2#  ))
     6 6 0 peak 5392 weight  0.1000E+01 volume 25.39550 ppm1 4.259 ppm2 -0.208
ASSI {  5402}
  (( segid "SEGA" and resid 18  and name HB  ))
  (( segid "SEGA" and resid 18  and name HG2#  ))
     6 6 0 peak 5402 weight  0.1000E+01 volume 50.50940 ppm1 1.387 ppm2 -0.211
ASSI {  5412}
  (( segid "SEGA" and resid 18  and name HG1#  ))
  (( segid "SEGA" and resid 18  and name HG2#  ))
     6 6 0 peak 5412 weight  0.1000E+01 volume 67.30420 ppm1 0.473 ppm2 -0.208
ASSI {  5422}
  (( segid "SEGA" and resid 24  and name HZ  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 5422 weight  0.1000E+01 volume 20.85320 ppm1 7.345 ppm2 2.125
ASSI {  5432}
  (( segid "SEGA" and resid 99  and name HA  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 5432 weight  0.1000E+01 volume 16.39910 ppm1 4.499 ppm2 2.135
ASSI {  5442}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 5442 weight  0.1000E+01 volume 145.96910 ppm1 1.107 ppm2 2.128
ASSI {  5452}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 5452 weight  0.1000E+01 volume 88.69190 ppm1 7.255 ppm2 2.128
ASSI {  5462}
  (( segid "SEGA" and resid 20  and name HA  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 5462 weight  0.1000E+01 volume 104.43100 ppm1 4.695 ppm2 2.135
ASSI {  5472}
  (( segid "SEGA" and resid 101  and name HG11  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 5472 weight  0.1000E+01 volume 69.17070 ppm1 1.824 ppm2 2.128
ASSI {  5482}
  (( segid "SEGA" and resid 97  and name HG11  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 5482 weight  0.1000E+01 volume 9.56530 ppm1 1.616 ppm2 2.133
ASSI {  5502}
  (( segid "SEGA" and resid 101  and name HG12  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 5502 weight  0.1000E+01 volume 152.24831 ppm1 0.884 ppm2 2.128
ASSI {  5512}
  (( segid "SEGA" and resid 50  and name HD1  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 5512 weight  0.1000E+01 volume 18.57960 ppm1 7.233 ppm2 1.852
ASSI {  5542}
  (( segid "SEGA" and resid 50  and name HE1  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 5542 weight  0.1000E+01 volume 12.42690 ppm1 6.963 ppm2 1.855
ASSI {  5552}
  (( segid "SEGA" and resid 66  and name HA  ))
  (( segid "SEGA" and resid 66  and name HB#  ))
     6 6 0 peak 5552 weight  0.1000E+01 volume 95.46870 ppm1 4.731 ppm2 1.669
ASSI {  5562}
  (( segid "SEGA" and resid 50  and name HB2  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 5562 weight  0.1000E+01 volume 16.51120 ppm1 2.681 ppm2 1.860
ASSI {  5572}
  (( segid "SEGA" and resid 68  and name HE1  ))
  (( segid "SEGA" and resid 6  and name HG2#  ))
     6 6 0 peak 5572 weight  0.1000E+01 volume 12.50090 ppm1 6.876 ppm2 0.461
ASSI {  5582}
  (( segid "SEGA" and resid 6  and name HA  ))
  (( segid "SEGA" and resid 6  and name HG2#  ))
     6 6 0 peak 5582 weight  0.1000E+01 volume 21.10900 ppm1 5.667 ppm2 0.461
ASSI {  5592}
  (( segid "SEGA" and resid 77  and name HA  ))
  (( segid "SEGA" and resid 92  and name HG2#  ))
     6 6 0 peak 5592 weight  0.1000E+01 volume 7.54870 ppm1 5.222 ppm2 0.890
ASSI {  5602}
  (( segid "SEGA" and resid 76  and name HA  ))
  (( segid "SEGA" and resid 92  and name HG2#  ))
     6 6 0 peak 5602 weight  0.1000E+01 volume 55.95660 ppm1 5.067 ppm2 0.893
ASSI {  5612}
  (( segid "SEGA" and resid 92  and name HA  ))
  (( segid "SEGA" and resid 92  and name HG2#  ))
     6 6 0 peak 5612 weight  0.1000E+01 volume 67.44620 ppm1 4.724 ppm2 0.901
ASSI {  5622}
  (( segid "SEGA" and resid 77  and name HD1  ))
  (( segid "SEGA" and resid 92  and name HG2#  ))
     6 6 0 peak 5622 weight  0.1000E+01 volume 26.36470 ppm1 3.132 ppm2 0.893
ASSI {  5632}
  (( segid "SEGA" and resid 77  and name HD2  ))
  (( segid "SEGA" and resid 92  and name HG2#  ))
     6 6 0 peak 5632 weight  0.1000E+01 volume 57.60940 ppm1 2.929 ppm2 0.890
ASSI {  5642}
  (( segid "SEGA" and resid 92  and name HB  ))
  (( segid "SEGA" and resid 92  and name HG2#  ))
     6 6 0 peak 5642 weight  0.1000E+01 volume 64.99390 ppm1 2.256 ppm2 0.896
ASSI {  5652}
  (( segid "SEGA" and resid 6  and name HB  ))
  (( segid "SEGA" and resid 6  and name HG2#  ))
     6 6 0 peak 5652 weight  0.1000E+01 volume 84.26050 ppm1 2.096 ppm2 0.464
ASSI {  5662}
  (( segid "SEGA" and resid 77  and name HB1  ))
  (( segid "SEGA" and resid 92  and name HG2#  ))
     6 6 0 peak 5662 weight  0.1000E+01 volume 10.28190 ppm1 1.796 ppm2 0.891
ASSI {  5672}
  (( segid "SEGA" and resid 77  and name HB2  ))
  (( segid "SEGA" and resid 92  and name HG2#  ))
     6 6 0 peak 5672 weight  0.1000E+01 volume 96.65700 ppm1 1.553 ppm2 0.887
ASSI {  5682}
  (( segid "SEGA" and resid 92  and name HG11  ))
  (( segid "SEGA" and resid 92  and name HG2#  ))
     6 6 0 peak 5682 weight  0.1000E+01 volume 85.15620 ppm1 1.132 ppm2 0.896
ASSI {  5692}
  (( segid "SEGA" and resid 6  and name HG1#  ))
  (( segid "SEGA" and resid 6  and name HG2#  ))
     6 6 0 peak 5692 weight  0.1000E+01 volume 123.25230 ppm1 0.870 ppm2 0.461
ASSI {  5702}
  (( segid "SEGA" and resid 92  and name HG12  ))
  (( segid "SEGA" and resid 92  and name HG2#  ))
     6 6 0 peak 5702 weight  0.1000E+01 volume 79.30170 ppm1 0.555 ppm2 0.899
ASSI {  5712}
  (( segid "SEGA" and resid 68  and name HD1  ))
  (( segid "SEGA" and resid 101  and name HG2#  ))
     6 6 0 peak 5712 weight  0.1000E+01 volume 42.31490 ppm1 7.551 ppm2 0.700
ASSI {  5722}
  (( segid "SEGA" and resid 52  and name HD1  ))
  (( segid "SEGA" and resid 87  and name HE#  ))
     6 6 0 peak 5722 weight  0.1000E+01 volume 2.93760 ppm1 7.247 ppm2 1.605
ASSI {  5732}
  (( segid "SEGA" and resid 52  and name HE1  ))
  (( segid "SEGA" and resid 87  and name HE#  ))
     6 6 0 peak 5732 weight  0.1000E+01 volume 42.67820 ppm1 7.052 ppm2 1.600
ASSI {  5742}
  (( segid "SEGA" and resid 64  and name HD1  ))
  (( segid "SEGA" and resid 67  and name HG2#  ))
     6 6 0 peak 5742 weight  0.1000E+01 volume 20.80890 ppm1 6.994 ppm2 0.748
ASSI {  5752}
  (( segid "SEGA" and resid 68  and name HE1  ))
  (( segid "SEGA" and resid 101  and name HG2#  ))
     6 6 0 peak 5752 weight  0.1000E+01 volume 154.96091 ppm1 6.853 ppm2 0.698
ASSI {  5762}
  (( segid "SEGA" and resid 78  and name HD2  ))
  (( segid "SEGA" and resid 87  and name HE#  ))
     6 6 0 peak 5762 weight  0.1000E+01 volume 19.55060 ppm1 6.360 ppm2 1.609
ASSI {  5772}
  (( segid "SEGA" and resid 64  and name HA  ))
  (( segid "SEGA" and resid 67  and name HG2#  ))
     6 6 0 peak 5772 weight  0.1000E+01 volume 6.07030 ppm1 4.884 ppm2 0.748
ASSI {  5782}
  (( segid "SEGA" and resid 101  and name HA  ))
  (( segid "SEGA" and resid 101  and name HG2#  ))
     6 6 0 peak 5782 weight  0.1000E+01 volume 106.31780 ppm1 4.737 ppm2 0.708
ASSI {  5792}
  (( segid "SEGA" and resid 81  and name HA  ))
  (( segid "SEGA" and resid 82  and name HB#  ))
     6 6 0 peak 5792 weight  0.1000E+01 volume 23.88140 ppm1 4.412 ppm2 1.541
ASSI {  5802}
  (( segid "SEGA" and resid 82  and name HA  ))
  (( segid "SEGA" and resid 82  and name HB#  ))
     6 6 0 peak 5802 weight  0.1000E+01 volume 688.84003 ppm1 4.261 ppm2 1.540
ASSI {  5812}
  (( segid "SEGA" and resid 67  and name HA  ))
  (( segid "SEGA" and resid 67  and name HG2#  ))
     6 6 0 peak 5812 weight  0.1000E+01 volume 64.58140 ppm1 3.882 ppm2 0.744
ASSI {  5822}
  (( segid "SEGA" and resid 65  and name HA2  ))
  (( segid "SEGA" and resid 87  and name HE#  ))
     6 6 0 peak 5822 weight  0.1000E+01 volume 8.62450 ppm1 3.840 ppm2 1.607
ASSI {  5832}
  (( segid "SEGA" and resid 16  and name HB1  ))
  (( segid "SEGA" and resid 67  and name HG2#  ))
     6 6 0 peak 5832 weight  0.1000E+01 volume 7.24950 ppm1 2.686 ppm2 0.752
ASSI {  5852}
  (( segid "SEGA" and resid 101  and name HB  ))
  (( segid "SEGA" and resid 101  and name HG2#  ))
     6 6 0 peak 5852 weight  0.1000E+01 volume 116.08240 ppm1 1.801 ppm2 0.702
ASSI {  5862}
  (( segid "SEGA" and resid 47  and name HG  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 5862 weight  0.1000E+01 volume 10.37590 ppm1 1.751 ppm2 -0.088
ASSI {  5872}
  (( segid "SEGA" and resid 67  and name HB  ))
  (( segid "SEGA" and resid 67  and name HG2#  ))
     6 6 0 peak 5872 weight  0.1000E+01 volume 90.59180 ppm1 1.574 ppm2 0.752
ASSI {  5882}
  (( segid "SEGA" and resid 89  and name HG11  ))
  (( segid "SEGA" and resid 87  and name HE#  ))
     6 6 0 peak 5882 weight  0.1000E+01 volume 11.12350 ppm1 0.932 ppm2 1.604
ASSI {  5892}
  (( segid "SEGA" and resid 67  and name HD1#  ))
  (( segid "SEGA" and resid 67  and name HG2#  ))
     6 6 0 peak 5892 weight  0.1000E+01 volume 415.05161 ppm1 0.900 ppm2 0.742
ASSI {  5902}
  (( segid "SEGA" and resid 89  and name HG12  ))
  (( segid "SEGA" and resid 87  and name HE#  ))
     6 6 0 peak 5902 weight  0.1000E+01 volume 40.76160 ppm1 0.590 ppm2 1.599
ASSI {  5912}
  (( segid "SEGA" and resid 89  and name HG2#  ))
  (( segid "SEGA" and resid 101  and name HG2#  ))
     6 6 0 peak 5912 weight  0.1000E+01 volume 5.75280 ppm1 0.090 ppm2 0.695
ASSI {  5922}
  (( segid "SEGA" and resid 39  and name HD2  ))
  (( segid "SEGA" and resid 57  and name HE#  ))
     6 6 0 peak 5922 weight  0.1000E+01 volume 118.06260 ppm1 7.299 ppm2 2.109
ASSI {  5932}
  (( segid "SEGA" and resid 57  and name HA  ))
  (( segid "SEGA" and resid 57  and name HE#  ))
     6 6 0 peak 5932 weight  0.1000E+01 volume 106.17010 ppm1 5.017 ppm2 2.105
ASSI {  5942}
  (( segid "SEGA" and resid 39  and name HA  ))
  (( segid "SEGA" and resid 57  and name HE#  ))
     6 6 0 peak 5942 weight  0.1000E+01 volume 111.52180 ppm1 4.921 ppm2 2.101
ASSI {  5952}
  (( segid "SEGA" and resid 39  and name HB1  ))
  (( segid "SEGA" and resid 57  and name HE#  ))
     6 6 0 peak 5952 weight  0.1000E+01 volume 38.87980 ppm1 3.283 ppm2 2.103
ASSI {  5962}
  (( segid "SEGA" and resid 57  and name HG1  ))
  (( segid "SEGA" and resid 57  and name HE#  ))
     6 6 0 peak 5962 weight  0.1000E+01 volume 112.61520 ppm1 2.740 ppm2 2.106
ASSI {  5972}
  (( segid "SEGA" and resid 57  and name HG2  ))
  (( segid "SEGA" and resid 57  and name HE#  ))
     6 6 0 peak 5972 weight  0.1000E+01 volume 120.08330 ppm1 2.524 ppm2 2.110
ASSI {  5982}
  (( segid "SEGA" and resid 57  and name HB2  ))
  (( segid "SEGA" and resid 57  and name HE#  ))
     6 6 0 peak 5982 weight  0.1000E+01 volume 21.32250 ppm1 1.805 ppm2 2.103
ASSI {  5992}
  (( segid "SEGA" and resid 84  and name HB2  ))
  (( segid "SEGA" and resid 57  and name HE#  ))
     6 6 0 peak 5992 weight  0.1000E+01 volume 6.49430 ppm1 1.722 ppm2 2.113
ASSI {  6002}
  (( segid "SEGA" and resid 37  and name HG2#  ))
  (( segid "SEGA" and resid 57  and name HE#  ))
     6 6 0 peak 6002 weight  0.1000E+01 volume 34.23190 ppm1 0.958 ppm2 2.111
ASSI {  6012}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 57  and name HE#  ))
     6 6 0 peak 6012 weight  0.1000E+01 volume 57.17630 ppm1 0.867 ppm2 2.106
ASSI {  6022}
  (( segid "SEGA" and resid 36  and name HA  ))
  (( segid "SEGA" and resid 36  and name HG2#  ))
     6 6 0 peak 6022 weight  0.1000E+01 volume 85.37590 ppm1 4.391 ppm2 0.777
ASSI {  6032}
  (( segid "SEGA" and resid 36  and name HD1#  ))
  (( segid "SEGA" and resid 36  and name HG2#  ))
     6 6 0 peak 6032 weight  0.1000E+01 volume 73.83930 ppm1 0.263 ppm2 0.779
ASSI {  6042}
  (( segid "SEGA" and resid 22  and name HA  ))
  (( segid "SEGA" and resid 97  and name HG2#  ))
     6 6 0 peak 6042 weight  0.1000E+01 volume 73.57030 ppm1 4.586 ppm2 0.899
ASSI {  6052}
  (( segid "SEGA" and resid 98  and name HA1  ))
  (( segid "SEGA" and resid 97  and name HG2#  ))
     6 6 0 peak 6052 weight  0.1000E+01 volume 115.92510 ppm1 4.491 ppm2 0.899
ASSI {  6062}
  (( segid "SEGA" and resid 97  and name HA  ))
  (( segid "SEGA" and resid 97  and name HG2#  ))
     6 6 0 peak 6062 weight  0.1000E+01 volume 80.03860 ppm1 3.252 ppm2 0.902
ASSI {  6072}
  (( segid "SEGA" and resid 20  and name HB#  ))
  (( segid "SEGA" and resid 97  and name HG2#  ))
     6 6 0 peak 6072 weight  0.1000E+01 volume 10.16530 ppm1 2.131 ppm2 0.899
ASSI {  6082}
  (( segid "SEGA" and resid 97  and name HB  ))
  (( segid "SEGA" and resid 97  and name HG2#  ))
     6 6 0 peak 6082 weight  0.1000E+01 volume 654.90637 ppm1 1.607 ppm2 0.898
ASSI {  6092}
  (( segid "SEGA" and resid 97  and name HG12  ))
  (( segid "SEGA" and resid 97  and name HG2#  ))
     6 6 0 peak 6092 weight  0.1000E+01 volume 148.13800 ppm1 0.639 ppm2 0.898
ASSI {  6112}
  (( segid "SEGA" and resid 7  and name HA  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 6112 weight  0.1000E+01 volume 75.67720 ppm1 4.975 ppm2 0.981
ASSI {  6122}
  (( segid "SEGA" and resid 2  and name HB1  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 6122 weight  0.1000E+01 volume 15.46390 ppm1 3.605 ppm2 0.985
ASSI {  6132}
  (( segid "SEGA" and resid 2  and name HB2  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 6132 weight  0.1000E+01 volume 72.12470 ppm1 3.453 ppm2 0.985
ASSI {  6142}
  (( segid "SEGA" and resid 21  and name HD2  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 6142 weight  0.1000E+01 volume 114.81410 ppm1 3.252 ppm2 0.991
ASSI {  6152}
  (( segid "SEGA" and resid 19  and name HB2  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 6152 weight  0.1000E+01 volume 128.53951 ppm1 3.035 ppm2 0.985
ASSI {  6162}
  (( segid "SEGA" and resid 19  and name HB1  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 6162 weight  0.1000E+01 volume 83.63860 ppm1 2.566 ppm2 0.990
ASSI {  6182}
  (( segid "SEGA" and resid 7  and name HB  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 6182 weight  0.1000E+01 volume 231.48920 ppm1 1.725 ppm2 0.985
ASSI {  6192}
  (( segid "SEGA" and resid 21  and name HB2  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 6192 weight  0.1000E+01 volume 41.69950 ppm1 1.480 ppm2 0.982
ASSI {  6202}
  (( segid "SEGA" and resid 9  and name HG1  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 6202 weight  0.1000E+01 volume 125.33690 ppm1 1.192 ppm2 0.984
ASSI {  6222}
  (( segid "SEGA" and resid 1  and name HG1  ))
  (( segid "SEGA" and resid 1  and name HE#  ))
     6 6 0 peak 6222 weight  0.1000E+01 volume 119.33700 ppm1 2.763 ppm2 1.715
ASSI {  6232}
  (( segid "SEGA" and resid 1  and name HB1  ))
  (( segid "SEGA" and resid 1  and name HE#  ))
     6 6 0 peak 6232 weight  0.1000E+01 volume 57.52560 ppm1 2.649 ppm2 1.709
ASSI {  6242}
  (( segid "SEGA" and resid 1  and name HG2  ))
  (( segid "SEGA" and resid 1  and name HE#  ))
     6 6 0 peak 6242 weight  0.1000E+01 volume 244.22270 ppm1 2.512 ppm2 1.723
ASSI {  6252}
  (( segid "SEGA" and resid 8  and name HB  ))
  (( segid "SEGA" and resid 1  and name HE#  ))
     6 6 0 peak 6252 weight  0.1000E+01 volume 123.23510 ppm1 2.097 ppm2 1.720
ASSI {  6262}
  (( segid "SEGA" and resid 8  and name HG1#  ))
  (( segid "SEGA" and resid 1  and name HE#  ))
     6 6 0 peak 6262 weight  0.1000E+01 volume 22.39250 ppm1 0.963 ppm2 1.720
ASSI {  6292}
  (( segid "SEGA" and resid 101  and name HB  ))
  (( segid "SEGA" and resid 101  and name HD1#  ))
     6 6 0 peak 6292 weight  0.1000E+01 volume 274.69351 ppm1 1.815 ppm2 0.678
ASSI {  6302}
  (( segid "SEGA" and resid 95  and name HA  ))
  (( segid "SEGA" and resid 95  and name HD1#  ))
     6 6 0 peak 6302 weight  0.1000E+01 volume 70.59160 ppm1 4.416 ppm2 0.684
ASSI {  6312}
  (( segid "SEGA" and resid 24  and name HB2  ))
  (( segid "SEGA" and resid 95  and name HD1#  ))
     6 6 0 peak 6312 weight  0.1000E+01 volume 23.30470 ppm1 2.948 ppm2 0.684
ASSI {  6322}
  (( segid "SEGA" and resid 95  and name HG11  ))
  (( segid "SEGA" and resid 95  and name HD1#  ))
     6 6 0 peak 6322 weight  0.1000E+01 volume 159.81030 ppm1 2.066 ppm2 0.679
ASSI {  6332}
  (( segid "SEGA" and resid 76  and name HB#  ))
  (( segid "SEGA" and resid 101  and name HD1#  ))
     6 6 0 peak 6332 weight  0.1000E+01 volume 209.34540 ppm1 1.007 ppm2 0.679
ASSI {  6342}
  (( segid "SEGA" and resid 7  and name HA  ))
  (( segid "SEGA" and resid 7  and name HD1#  ))
     6 6 0 peak 6342 weight  0.1000E+01 volume 109.94130 ppm1 4.978 ppm2 0.918
ASSI {  6352}
  (( segid "SEGA" and resid 67  and name HA  ))
  (( segid "SEGA" and resid 67  and name HD1#  ))
     6 6 0 peak 6352 weight  0.1000E+01 volume 19.83850 ppm1 3.878 ppm2 0.903
ASSI {  6362}
  (( segid "SEGA" and resid 2  and name HB1  ))
  (( segid "SEGA" and resid 7  and name HD1#  ))
     6 6 0 peak 6362 weight  0.1000E+01 volume 92.25010 ppm1 3.605 ppm2 0.916
ASSI {  6372}
  (( segid "SEGA" and resid 9  and name HE2  ))
  (( segid "SEGA" and resid 7  and name HD1#  ))
     6 6 0 peak 6372 weight  0.1000E+01 volume 2.46710 ppm1 2.145 ppm2 0.913
ASSI {  6382}
  (( segid "SEGA" and resid 7  and name HG12  ))
  (( segid "SEGA" and resid 7  and name HD1#  ))
     6 6 0 peak 6382 weight  0.1000E+01 volume 224.78320 ppm1 1.914 ppm2 0.918
ASSI {  6392}
  (( segid "SEGA" and resid 7  and name HB  ))
  (( segid "SEGA" and resid 7  and name HD1#  ))
     6 6 0 peak 6392 weight  0.1000E+01 volume 362.60751 ppm1 1.724 ppm2 0.915
ASSI {  6402}
  (( segid "SEGA" and resid 67  and name HB  ))
  (( segid "SEGA" and resid 67  and name HD1#  ))
     6 6 0 peak 6402 weight  0.1000E+01 volume 375.72589 ppm1 1.554 ppm2 0.906
ASSI {  6412}
  (( segid "SEGA" and resid 18  and name HG1#  ))
  (( segid "SEGA" and resid 67  and name HD1#  ))
     6 6 0 peak 6412 weight  0.1000E+01 volume 59.54060 ppm1 0.459 ppm2 0.908
ASSI {  6422}
  (( segid "SEGA" and resid 68  and name HE1  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 6422 weight  0.1000E+01 volume 158.57300 ppm1 6.855 ppm2 0.384
ASSI {  6452}
  (( segid "SEGA" and resid 89  and name HB  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 6452 weight  0.1000E+01 volume 46.09490 ppm1 1.305 ppm2 0.388
ASSI {  6462}
  (( segid "SEGA" and resid 89  and name HG12  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 6462 weight  0.1000E+01 volume 95.18060 ppm1 0.604 ppm2 0.387
ASSI {  6472}
  (( segid "SEGA" and resid 89  and name HG2#  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 6472 weight  0.1000E+01 volume 35.16410 ppm1 0.078 ppm2 0.399
ASSI {  6482}
  (( segid "SEGA" and resid 91  and name HA  ))
  (( segid "SEGA" and resid 92  and name HD1#  ))
     6 6 0 peak 6482 weight  0.1000E+01 volume 59.24780 ppm1 4.631 ppm2 0.816
ASSI {  6492}
  (( segid "SEGA" and resid 22  and name HA  ))
  (( segid "SEGA" and resid 97  and name HD1#  ))
     6 6 0 peak 6492 weight  0.1000E+01 volume 230.03909 ppm1 4.592 ppm2 1.008
ASSI {  6502}
  (( segid "SEGA" and resid 97  and name HA  ))
  (( segid "SEGA" and resid 97  and name HD1#  ))
     6 6 0 peak 6502 weight  0.1000E+01 volume 137.02921 ppm1 3.253 ppm2 1.018
ASSI {  6512}
  (( segid "SEGA" and resid 93  and name HE2  ))
  (( segid "SEGA" and resid 92  and name HD1#  ))
     6 6 0 peak 6512 weight  0.1000E+01 volume 55.36790 ppm1 3.061 ppm2 0.816
ASSI {  6522}
  (( segid "SEGA" and resid 92  and name HB  ))
  (( segid "SEGA" and resid 92  and name HD1#  ))
     6 6 0 peak 6522 weight  0.1000E+01 volume 64.80890 ppm1 2.253 ppm2 0.817
ASSI {  6552}
  (( segid "SEGA" and resid 97  and name HB  ))
  (( segid "SEGA" and resid 97  and name HD1#  ))
     6 6 0 peak 6552 weight  0.1000E+01 volume 710.04773 ppm1 1.610 ppm2 1.015
ASSI {  6562}
  (( segid "SEGA" and resid 93  and name HG2  ))
  (( segid "SEGA" and resid 92  and name HD1#  ))
     6 6 0 peak 6562 weight  0.1000E+01 volume 45.84680 ppm1 1.493 ppm2 0.823
ASSI {  6572}
  (( segid "SEGA" and resid 97  and name HG12  ))
  (( segid "SEGA" and resid 97  and name HD1#  ))
     6 6 0 peak 6572 weight  0.1000E+01 volume 321.31500 ppm1 0.640 ppm2 1.015
ASSI {  6582}
  (( segid "SEGA" and resid 92  and name HG12  ))
  (( segid "SEGA" and resid 92  and name HD1#  ))
     6 6 0 peak 6582 weight  0.1000E+01 volume 95.01140 ppm1 0.554 ppm2 0.822
ASSI {  6592}
  (( segid "SEGA" and resid 36  and name HG11  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 6592 weight  0.1000E+01 volume 61.54910 ppm1 1.311 ppm2 0.276
ASSI {  6602}
  (( segid "SEGA" and resid 36  and name HG2#  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 6602 weight  0.1000E+01 volume 388.15359 ppm1 0.748 ppm2 0.265
ASSI {  6612}
  (( segid "SEGA" and resid 92  and name HG2#  ))
  (( segid "SEGA" and resid 76  and name HA  ))
     6 6 0 peak 6612 weight  0.1000E+01 volume 8.66790 ppm1 0.909 ppm2 5.069
ASSI {  6622}
  (( segid "SEGA" and resid 76  and name HB#  ))
  (( segid "SEGA" and resid 76  and name HA  ))
     6 6 0 peak 6622 weight  0.1000E+01 volume 35.62770 ppm1 1.002 ppm2 5.066
ASSI {  6632}
  (( segid "SEGA" and resid 97  and name HG12  ))
  (( segid "SEGA" and resid 23  and name HB1  ))
     6 6 0 peak 6632 weight  0.1000E+01 volume 24.24760 ppm1 0.648 ppm2 4.034
ASSI {  6642}
  (( segid "SEGA" and resid 97  and name HG12  ))
  (( segid "SEGA" and resid 23  and name HA  ))
     6 6 0 peak 6642 weight  0.1000E+01 volume 6.83460 ppm1 0.655 ppm2 4.922
ASSI {  6652}
  (( segid "SEGA" and resid 97  and name HD1#  ))
  (( segid "SEGA" and resid 23  and name HA  ))
     6 6 0 peak 6652 weight  0.1000E+01 volume 5.38720 ppm1 1.008 ppm2 4.924
ASSI {  6662}
  (( segid "SEGA" and resid 96  and name HA  ))
  (( segid "SEGA" and resid 23  and name HA  ))
     6 6 0 peak 6662 weight  0.1000E+01 volume 93.76840 ppm1 4.649 ppm2 4.922
ASSI {  6672}
  (( segid "SEGA" and resid 40  and name HB1  ))
  (( segid "SEGA" and resid 40  and name HA  ))
     6 6 0 peak 6672 weight  0.1000E+01 volume 40.59480 ppm1 2.814 ppm2 4.700
ASSI {  6682}
  (( segid "SEGA" and resid 25  and name HB1  ))
  (( segid "SEGA" and resid 25  and name HG2  ))
     6 6 0 peak 6682 weight  0.1000E+01 volume 145.57651 ppm1 2.285 ppm2 2.432
ASSI {  6692}
  (( segid "SEGA" and resid 99  and name HA  ))
  (( segid "SEGA" and resid 99  and name HG2  ))
     6 6 0 peak 6692 weight  0.1000E+01 volume 82.79690 ppm1 4.490 ppm2 2.358
ASSI {  6702}
  (( segid "SEGA" and resid 48  and name HG2  ))
  (( segid "SEGA" and resid 48  and name HA  ))
     6 6 0 peak 6702 weight  0.1000E+01 volume 14.86560 ppm1 2.289 ppm2 3.780
ASSI {  6712}
  (( segid "SEGA" and resid 48  and name HG1  ))
  (( segid "SEGA" and resid 48  and name HA  ))
     6 6 0 peak 6712 weight  0.1000E+01 volume 9.00340 ppm1 2.367 ppm2 3.780
ASSI {  6722}
  (( segid "SEGA" and resid 48  and name HG1  ))
  (( segid "SEGA" and resid 48  and name HB2  ))
     6 6 0 peak 6722 weight  0.1000E+01 volume 115.36470 ppm1 2.376 ppm2 1.983
ASSI {  6732}
  (( segid "SEGA" and resid 48  and name HG1  ))
  (( segid "SEGA" and resid 48  and name HB1  ))
     6 6 0 peak 6732 weight  0.1000E+01 volume 150.22169 ppm1 2.376 ppm2 2.111
ASSI {  6742}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 20  and name HA  ))
     6 6 0 peak 6742 weight  0.1000E+01 volume 29.05140 ppm1 7.486 ppm2 4.695
ASSI {  6762}
  (( segid "SEGA" and resid 61  and name HA  ))
  (( segid "SEGA" and resid 61  and name HB#  ))
     6 6 0 peak 6762 weight  0.1000E+01 volume 193.00340 ppm1 4.750 ppm2 1.554
ASSI {  6772}
  (( segid "SEGA" and resid 81  and name HG2#  ))
  (( segid "SEGA" and resid 81  and name HA  ))
     6 6 0 peak 6772 weight  0.1000E+01 volume 199.25510 ppm1 1.279 ppm2 4.390
ASSI {  6782}
  (( segid "SEGA" and resid 58  and name HB1  ))
  (( segid "SEGA" and resid 58  and name HA  ))
     6 6 0 peak 6782 weight  0.1000E+01 volume 24.65400 ppm1 3.280 ppm2 5.624
ASSI {  6792}
  (( segid "SEGA" and resid 58  and name HA  ))
  (( segid "SEGA" and resid 58  and name HB1  ))
     6 6 0 peak 6792 weight  0.1000E+01 volume 11.25990 ppm1 5.640 ppm2 3.241
ASSI {  6802}
  (( segid "SEGA" and resid 104  and name HB2  ))
  (( segid "SEGA" and resid 104  and name HA  ))
     6 6 0 peak 6802 weight  0.1000E+01 volume 28.15290 ppm1 4.153 ppm2 4.925
ASSI {  6812}
  (( segid "SEGA" and resid 104  and name HA  ))
  (( segid "SEGA" and resid 104  and name HB2  ))
     6 6 0 peak 6812 weight  0.1000E+01 volume 18.06660 ppm1 4.922 ppm2 4.146
ASSI {  6822}
  (( segid "SEGA" and resid 35  and name HB1  ))
  (( segid "SEGA" and resid 35  and name HA  ))
     6 6 0 peak 6822 weight  0.1000E+01 volume 38.83770 ppm1 3.280 ppm2 5.353
ASSI {  6832}
  (( segid "SEGA" and resid 35  and name HA  ))
  (( segid "SEGA" and resid 35  and name HB1  ))
     6 6 0 peak 6832 weight  0.1000E+01 volume 15.16460 ppm1 5.364 ppm2 3.268
ASSI {  6842}
  (( segid "SEGA" and resid 35  and name HA  ))
  (( segid "SEGA" and resid 35  and name HB2  ))
     6 6 0 peak 6842 weight  0.1000E+01 volume 17.44780 ppm1 5.353 ppm2 2.446
ASSI {  6852}
  (( segid "SEGA" and resid 37  and name HG2#  ))
  (( segid "SEGA" and resid 35  and name HB1  ))
     6 6 0 peak 6852 weight  0.1000E+01 volume 7.13860 ppm1 0.954 ppm2 3.267
ASSI {  6862}
  (( segid "SEGA" and resid 37  and name HG2#  ))
  (( segid "SEGA" and resid 35  and name HB2  ))
     6 6 0 peak 6862 weight  0.1000E+01 volume 5.01260 ppm1 0.969 ppm2 2.446
ASSI {  6872}
  (( segid "SEGA" and resid 37  and name HG1#  ))
  (( segid "SEGA" and resid 59  and name HA  ))
     6 6 0 peak 6872 weight  0.1000E+01 volume 8.07560 ppm1 1.099 ppm2 5.736
ASSI {  6882}
  (( segid "SEGA" and resid 43  and name HZ2  ))
  (( segid "SEGA" and resid 59  and name HA  ))
     6 6 0 peak 6882 weight  0.1000E+01 volume 31.90250 ppm1 7.481 ppm2 5.731
ASSI {  6912}
  (( segid "SEGA" and resid 37  and name HA  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 6912 weight  0.1000E+01 volume 12.02740 ppm1 5.297 ppm2 1.405
ASSI {  6922}
  (( segid "SEGA" and resid 52  and name HB2  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 6922 weight  0.1000E+01 volume 9.91070 ppm1 2.820 ppm2 1.402
ASSI {  6932}
  (( segid "SEGA" and resid 75  and name HB1  ))
  (( segid "SEGA" and resid 74  and name HA  ))
     6 6 0 peak 6932 weight  0.1000E+01 volume 4.56660 ppm1 3.170 ppm2 4.608
ASSI {  6942}
  (( segid "SEGA" and resid 30  and name HG2#  ))
  (( segid "SEGA" and resid 91  and name HB  ))
     6 6 0 peak 6942 weight  0.1000E+01 volume 8.77900 ppm1 0.445 ppm2 5.132
ASSI {  6952}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 91  and name HG2#  ))
     6 6 0 peak 6952 weight  0.1000E+01 volume 13.39600 ppm1 7.489 ppm2 1.113
ASSI {  6962}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 57  and name HA  ))
     6 6 0 peak 6962 weight  0.1000E+01 volume 15.91640 ppm1 0.872 ppm2 4.987
ASSI {  6972}
  (( segid "SEGA" and resid 37  and name HG1#  ))
  (( segid "SEGA" and resid 57  and name HB1  ))
     6 6 0 peak 6972 weight  0.1000E+01 volume 8.31170 ppm1 1.098 ppm2 2.073
ASSI {  6982}
  (( segid "SEGA" and resid 1  and name HA  ))
  (( segid "SEGA" and resid 1  and name HB2  ))
     6 6 0 peak 6982 weight  0.1000E+01 volume 23.48360 ppm1 3.909 ppm2 1.870
ASSI {  6992}
  (( segid "SEGA" and resid 39  and name HA  ))
  (( segid "SEGA" and resid 57  and name HG2  ))
     6 6 0 peak 6992 weight  0.1000E+01 volume 106.49990 ppm1 4.956 ppm2 2.524
ASSI {  7002}
  (( segid "SEGA" and resid 39  and name HA  ))
  (( segid "SEGA" and resid 57  and name HG1  ))
     6 6 0 peak 7002 weight  0.1000E+01 volume 22.45560 ppm1 4.954 ppm2 2.733
ASSI {  7012}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 57  and name HG2  ))
     6 6 0 peak 7012 weight  0.1000E+01 volume 38.42250 ppm1 0.869 ppm2 2.519
ASSI {  7032}
  (( segid "SEGA" and resid 51  and name HA  ))
  (( segid "SEGA" and resid 60  and name HA  ))
     6 6 0 peak 7032 weight  0.1000E+01 volume 18.30010 ppm1 4.146 ppm2 4.988
ASSI {  7042}
  (( segid "SEGA" and resid 43  and name HZ2  ))
  (( segid "SEGA" and resid 37  and name HA  ))
     6 6 0 peak 7042 weight  0.1000E+01 volume 26.95080 ppm1 7.488 ppm2 5.289
ASSI {  7052}
  (( segid "SEGA" and resid 37  and name HG2#  ))
  (( segid "SEGA" and resid 37  and name HA  ))
     6 6 0 peak 7052 weight  0.1000E+01 volume 66.03120 ppm1 0.958 ppm2 5.287
ASSI {  7062}
  (( segid "SEGA" and resid 85  and name HE1  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 7062 weight  0.1000E+01 volume 9.09430 ppm1 3.198 ppm2 1.098
ASSI {  7072}
  (( segid "SEGA" and resid 59  and name HA  ))
  (( segid "SEGA" and resid 37  and name HG2#  ))
     6 6 0 peak 7072 weight  0.1000E+01 volume 14.85590 ppm1 5.738 ppm2 0.962
ASSI {  7082}
  (( segid "SEGA" and resid 18  and name HA  ))
  (( segid "SEGA" and resid 8  and name HA  ))
     6 6 0 peak 7082 weight  0.1000E+01 volume 41.68610 ppm1 4.260 ppm2 5.138
ASSI {  7092}
  (( segid "SEGA" and resid 8  and name HB  ))
  (( segid "SEGA" and resid 8  and name HA  ))
     6 6 0 peak 7092 weight  0.1000E+01 volume 19.56060 ppm1 2.084 ppm2 5.124
ASSI {  7102}
  (( segid "SEGA" and resid 111  and name HD1#  ))
  (( segid "SEGA" and resid 111  and name HA  ))
     6 6 0 peak 7102 weight  0.1000E+01 volume 40.17760 ppm1 0.916 ppm2 4.487
ASSI {  7112}
  (( segid "SEGA" and resid 111  and name HB1  ))
  (( segid "SEGA" and resid 111  and name HA  ))
     6 6 0 peak 7112 weight  0.1000E+01 volume 47.80350 ppm1 1.772 ppm2 4.490
ASSI {  7122}
  (( segid "SEGA" and resid 111  and name HA  ))
  (( segid "SEGA" and resid 111  and name HB1  ))
     6 6 0 peak 7122 weight  0.1000E+01 volume 65.54490 ppm1 4.491 ppm2 1.754
ASSI {  7132}
  (( segid "SEGA" and resid 13  and name HD1#  ))
  (( segid "SEGA" and resid 13  and name HA  ))
     6 6 0 peak 7132 weight  0.1000E+01 volume 68.34550 ppm1 0.943 ppm2 4.325
ASSI {  7152}
  (( segid "SEGA" and resid 116  and name HB1  ))
  (( segid "SEGA" and resid 116  and name HD2#  ))
     6 6 0 peak 7152 weight  0.1000E+01 volume 58.79710 ppm1 1.576 ppm2 0.839
ASSI {  7162}
  (( segid "SEGA" and resid 80  and name HD2#  ))
  (( segid "SEGA" and resid 80  and name HA  ))
     6 6 0 peak 7162 weight  0.1000E+01 volume 23.80200 ppm1 0.584 ppm2 5.325
ASSI {  7172}
  (( segid "SEGA" and resid 118  and name HG1  ))
  (( segid "SEGA" and resid 118  and name HB2  ))
     6 6 0 peak 7172 weight  0.1000E+01 volume 56.27270 ppm1 2.403 ppm2 2.054
ASSI {  7182}
  (( segid "SEGA" and resid 7  and name HG12  ))
  (( segid "SEGA" and resid 7  and name HA  ))
     6 6 0 peak 7182 weight  0.1000E+01 volume 19.82920 ppm1 1.920 ppm2 4.969
ASSI {  7192}
  (( segid "SEGA" and resid 2  and name HB2  ))
  (( segid "SEGA" and resid 7  and name HA  ))
     6 6 0 peak 7192 weight  0.1000E+01 volume 28.43250 ppm1 3.488 ppm2 4.979
ASSI {  7202}
  (( segid "SEGA" and resid 7  and name HG11  ))
  (( segid "SEGA" and resid 7  and name HA  ))
     6 6 0 peak 7202 weight  0.1000E+01 volume 14.40300 ppm1 1.098 ppm2 4.981
ASSI {  7222}
  (( segid "SEGA" and resid 18  and name HG1#  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 7222 weight  0.1000E+01 volume 14.72360 ppm1 0.481 ppm2 0.988
ASSI {  7232}
  (( segid "SEGA" and resid 19  and name HD1  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 7232 weight  0.1000E+01 volume 63.60240 ppm1 7.314 ppm2 0.985
ASSI {  7242}
  (( segid "SEGA" and resid 2  and name HA  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 7242 weight  0.1000E+01 volume 20.11920 ppm1 5.454 ppm2 0.981
ASSI {  7252}
  (( segid "SEGA" and resid 19  and name HA  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 7252 weight  0.1000E+01 volume 22.24190 ppm1 5.130 ppm2 0.981
ASSI {  7262}
  (( segid "SEGA" and resid 2  and name HB1  ))
  (( segid "SEGA" and resid 7  and name HB  ))
     6 6 0 peak 7262 weight  0.1000E+01 volume 14.05820 ppm1 3.597 ppm2 1.732
ASSI {  7272}
  (( segid "SEGA" and resid 7  and name HG2#  ))
  (( segid "SEGA" and resid 7  and name HB  ))
     6 6 0 peak 7272 weight  0.1000E+01 volume 108.78970 ppm1 0.990 ppm2 1.739
ASSI {  7282}
  (( segid "SEGA" and resid 7  and name HD1#  ))
  (( segid "SEGA" and resid 7  and name HB  ))
     6 6 0 peak 7282 weight  0.1000E+01 volume 151.06461 ppm1 0.918 ppm2 1.735
ASSI {  7292}
  (( segid "SEGA" and resid 64  and name HA  ))
  (( segid "SEGA" and resid 67  and name HD1#  ))
     6 6 0 peak 7292 weight  0.1000E+01 volume 37.80340 ppm1 4.824 ppm2 0.904
ASSI {  7302}
  (( segid "SEGA" and resid 2  and name HB2  ))
  (( segid "SEGA" and resid 7  and name HD1#  ))
     6 6 0 peak 7302 weight  0.1000E+01 volume 49.05150 ppm1 3.488 ppm2 0.916
ASSI {  7312}
  (( segid "SEGA" and resid 9  and name HG2  ))
  (( segid "SEGA" and resid 9  and name HA  ))
     6 6 0 peak 7312 weight  0.1000E+01 volume 50.70210 ppm1 0.983 ppm2 4.895
ASSI {  7322}
  (( segid "SEGA" and resid 9  and name HA  ))
  (( segid "SEGA" and resid 9  and name HD1  ))
     6 6 0 peak 7322 weight  0.1000E+01 volume 40.54860 ppm1 4.896 ppm2 1.223
ASSI {  7332}
  (( segid "SEGA" and resid 19  and name HD1  ))
  (( segid "SEGA" and resid 9  and name HD1  ))
     6 6 0 peak 7332 weight  0.1000E+01 volume 43.77570 ppm1 7.294 ppm2 1.222
ASSI {  7342}
  (( segid "SEGA" and resid 19  and name HD1  ))
  (( segid "SEGA" and resid 9  and name HE2  ))
     6 6 0 peak 7342 weight  0.1000E+01 volume 25.53650 ppm1 7.296 ppm2 2.151
ASSI {  7352}
  (( segid "SEGA" and resid 9  and name HB1  ))
  (( segid "SEGA" and resid 9  and name HE1  ))
     6 6 0 peak 7352 weight  0.1000E+01 volume 17.82110 ppm1 1.836 ppm2 2.293
ASSI {  7362}
  (( segid "SEGA" and resid 19  and name HD1  ))
  (( segid "SEGA" and resid 19  and name HA  ))
     6 6 0 peak 7362 weight  0.1000E+01 volume 25.43090 ppm1 7.308 ppm2 5.126
ASSI {  7372}
  (( segid "SEGA" and resid 100  and name HA  ))
  (( segid "SEGA" and resid 19  and name HA  ))
     6 6 0 peak 7372 weight  0.1000E+01 volume 19.71170 ppm1 3.581 ppm2 5.131
ASSI {  7382}
  (( segid "SEGA" and resid 19  and name HD1  ))
  (( segid "SEGA" and resid 19  and name HB1  ))
     6 6 0 peak 7382 weight  0.1000E+01 volume 25.35610 ppm1 7.317 ppm2 2.562
ASSI {  7392}
  (( segid "SEGA" and resid 7  and name HG2#  ))
  (( segid "SEGA" and resid 19  and name HB1  ))
     6 6 0 peak 7392 weight  0.1000E+01 volume 14.26970 ppm1 0.980 ppm2 2.562
ASSI {  7402}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 24  and name HA  ))
     6 6 0 peak 7402 weight  0.1000E+01 volume 12.18830 ppm1 7.491 ppm2 5.054
ASSI {  7422}
  (( segid "SEGA" and resid 95  and name HB  ))
  (( segid "SEGA" and resid 24  and name HA  ))
     6 6 0 peak 7422 weight  0.1000E+01 volume 15.75410 ppm1 1.846 ppm2 5.061
ASSI {  7432}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 24  and name HB2  ))
     6 6 0 peak 7432 weight  0.1000E+01 volume 32.65230 ppm1 7.264 ppm2 2.928
ASSI {  7442}
  (( segid "SEGA" and resid 24  and name HA  ))
  (( segid "SEGA" and resid 24  and name HB2  ))
     6 6 0 peak 7442 weight  0.1000E+01 volume 15.43510 ppm1 5.059 ppm2 2.927
ASSI {  7452}
  (( segid "SEGA" and resid 96  and name HB#  ))
  (( segid "SEGA" and resid 23  and name HA  ))
     6 6 0 peak 7452 weight  0.1000E+01 volume 8.49600 ppm1 1.508 ppm2 4.922
ASSI {  7462}
  (( segid "SEGA" and resid 68  and name HB2  ))
  (( segid "SEGA" and resid 68  and name HA  ))
     6 6 0 peak 7462 weight  0.1000E+01 volume 20.94660 ppm1 2.785 ppm2 4.069
ASSI {  7472}
  (( segid "SEGA" and resid 68  and name HD1  ))
  (( segid "SEGA" and resid 68  and name HB1  ))
     6 6 0 peak 7472 weight  0.1000E+01 volume 7.35250 ppm1 7.545 ppm2 2.914
ASSI {  7482}
  (( segid "SEGA" and resid 103  and name HG2#  ))
  (( segid "SEGA" and resid 68  and name HB2  ))
     6 6 0 peak 7482 weight  0.1000E+01 volume 12.62500 ppm1 0.449 ppm2 2.809
ASSI {  7492}
  (( segid "SEGA" and resid 103  and name HG2#  ))
  (( segid "SEGA" and resid 68  and name HB1  ))
     6 6 0 peak 7492 weight  0.1000E+01 volume 9.12600 ppm1 0.441 ppm2 2.923
ASSI {  7502}
  (( segid "SEGA" and resid 29  and name HA  ))
  (( segid "SEGA" and resid 90  and name HA  ))
     6 6 0 peak 7502 weight  0.1000E+01 volume 18.06820 ppm1 4.109 ppm2 5.594
ASSI {  7512}
  (( segid "SEGA" and resid 90  and name HB1  ))
  (( segid "SEGA" and resid 90  and name HA  ))
     6 6 0 peak 7512 weight  0.1000E+01 volume 30.90960 ppm1 2.870 ppm2 5.596
ASSI {  7522}
  (( segid "SEGA" and resid 90  and name HB2  ))
  (( segid "SEGA" and resid 90  and name HA  ))
     6 6 0 peak 7522 weight  0.1000E+01 volume 22.07440 ppm1 2.504 ppm2 5.590
ASSI {  7532}
  (( segid "SEGA" and resid 91  and name HG2#  ))
  (( segid "SEGA" and resid 90  and name HA  ))
     6 6 0 peak 7532 weight  0.1000E+01 volume 11.69290 ppm1 1.112 ppm2 5.594
ASSI {  7542}
  (( segid "SEGA" and resid 30  and name HG2#  ))
  (( segid "SEGA" and resid 90  and name HA  ))
     6 6 0 peak 7542 weight  0.1000E+01 volume 20.04250 ppm1 0.436 ppm2 5.589
ASSI {  7552}
  (( segid "SEGA" and resid 29  and name HD1#  ))
  (( segid "SEGA" and resid 90  and name HA  ))
     6 6 0 peak 7552 weight  0.1000E+01 volume 27.67320 ppm1 0.376 ppm2 5.589
ASSI {  7562}
  (( segid "SEGA" and resid 90  and name HA  ))
  (( segid "SEGA" and resid 90  and name HB1  ))
     6 6 0 peak 7562 weight  0.1000E+01 volume 25.60420 ppm1 5.586 ppm2 2.867
ASSI {  7572}
  (( segid "SEGA" and resid 90  and name HB1  ))
  (( segid "SEGA" and resid 90  and name HB2  ))
     6 6 0 peak 7572 weight  0.1000E+01 volume 77.06550 ppm1 2.864 ppm2 2.506
ASSI {  7582}
  (( segid "SEGA" and resid 16  and name HD1  ))
  (( segid "SEGA" and resid 16  and name HA  ))
     6 6 0 peak 7582 weight  0.1000E+01 volume 2.08300 ppm1 6.994 ppm2 4.903
ASSI {  7592}
  (( segid "SEGA" and resid 10  and name HA  ))
  (( segid "SEGA" and resid 16  and name HA  ))
     6 6 0 peak 7592 weight  0.1000E+01 volume 79.07030 ppm1 4.018 ppm2 4.911
ASSI {  7602}
  (( segid "SEGA" and resid 50  and name HB1  ))
  (( segid "SEGA" and resid 50  and name HA  ))
     6 6 0 peak 7602 weight  0.1000E+01 volume 6.76830 ppm1 3.197 ppm2 4.619
ASSI {  7612}
  (( segid "SEGA" and resid 16  and name HB1  ))
  (( segid "SEGA" and resid 16  and name HA  ))
     6 6 0 peak 7612 weight  0.1000E+01 volume 7.47000 ppm1 2.689 ppm2 4.903
ASSI {  7622}
  (( segid "SEGA" and resid 43  and name HA  ))
  (( segid "SEGA" and resid 43  and name HB1  ))
     6 6 0 peak 7622 weight  0.1000E+01 volume 7.58610 ppm1 4.986 ppm2 3.520
ASSI {  7632}
  (( segid "SEGA" and resid 43  and name HB2  ))
  (( segid "SEGA" and resid 43  and name HA  ))
     6 6 0 peak 7632 weight  0.1000E+01 volume 10.30370 ppm1 3.095 ppm2 5.005
ASSI {  7642}
  (( segid "SEGA" and resid 43  and name HE3  ))
  (( segid "SEGA" and resid 43  and name HA  ))
     6 6 0 peak 7642 weight  0.1000E+01 volume 5.95340 ppm1 8.242 ppm2 4.960
ASSI {  7652}
  (( segid "SEGA" and resid 43  and name HB1  ))
  (( segid "SEGA" and resid 43  and name HB2  ))
     6 6 0 peak 7652 weight  0.1000E+01 volume 28.15210 ppm1 3.530 ppm2 3.158
ASSI {  7662}
  (( segid "SEGA" and resid 43  and name HB2  ))
  (( segid "SEGA" and resid 43  and name HB1  ))
     6 6 0 peak 7662 weight  0.1000E+01 volume 20.06640 ppm1 3.130 ppm2 3.521
ASSI {  7682}
  (( segid "SEGA" and resid 87  and name HA  ))
  (( segid "SEGA" and resid 87  and name HE#  ))
     6 6 0 peak 7682 weight  0.1000E+01 volume 3.06520 ppm1 5.336 ppm2 1.604
ASSI {  7692}
  (( segid "SEGA" and resid 60  and name HA  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 7692 weight  0.1000E+01 volume 20.80390 ppm1 4.987 ppm2 1.844
ASSI {  7702}
  (( segid "SEGA" and resid 39  and name HB2  ))
  (( segid "SEGA" and resid 57  and name HE#  ))
     6 6 0 peak 7702 weight  0.1000E+01 volume 22.70780 ppm1 3.167 ppm2 2.108
ASSI {  7712}
  (( segid "SEGA" and resid 50  and name HB1  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 7712 weight  0.1000E+01 volume 4.63710 ppm1 3.159 ppm2 1.820
ASSI {  7732}
  (( segid "SEGA" and resid 87  and name HE#  ))
  (( segid "SEGA" and resid 87  and name HA  ))
     6 6 0 peak 7732 weight  0.1000E+01 volume 36.72450 ppm1 1.616 ppm2 5.349
ASSI {  7742}
  (( segid "SEGA" and resid 36  and name HA  ))
  (( segid "SEGA" and resid 36  and name HB  ))
     6 6 0 peak 7742 weight  0.1000E+01 volume 12.99850 ppm1 4.383 ppm2 1.751
ASSI {  7752}
  (( segid "SEGA" and resid 62  and name HA  ))
  (( segid "SEGA" and resid 62  and name HB1  ))
     6 6 0 peak 7752 weight  0.1000E+01 volume 14.18770 ppm1 4.473 ppm2 1.820
ASSI {  7762}
  (( segid "SEGA" and resid 43  and name HZ2  ))
  (( segid "SEGA" and resid 36  and name HG2#  ))
     6 6 0 peak 7762 weight  0.1000E+01 volume 5.20940 ppm1 7.479 ppm2 0.777
ASSI {  7772}
  (( segid "SEGA" and resid 36  and name HA  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 7772 weight  0.1000E+01 volume 67.27420 ppm1 4.388 ppm2 0.269
ASSI {  7782}
  (( segid "SEGA" and resid 60  and name HB2  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 7782 weight  0.1000E+01 volume 6.77650 ppm1 2.250 ppm2 0.267
ASSI {  7792}
  (( segid "SEGA" and resid 36  and name HG12  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 7792 weight  0.1000E+01 volume 139.34930 ppm1 1.029 ppm2 0.264
ASSI {  7802}
  (( segid "SEGA" and resid 92  and name HG2#  ))
  (( segid "SEGA" and resid 92  and name HA  ))
     6 6 0 peak 7802 weight  0.1000E+01 volume 58.88180 ppm1 0.921 ppm2 4.727
ASSI {  7812}
  (( segid "SEGA" and resid 26  and name HB2  ))
  (( segid "SEGA" and resid 92  and name HA  ))
     6 6 0 peak 7812 weight  0.1000E+01 volume 8.01960 ppm1 1.470 ppm2 4.722
ASSI {  7822}
  (( segid "SEGA" and resid 26  and name HE1  ))
  (( segid "SEGA" and resid 92  and name HA  ))
     6 6 0 peak 7822 weight  0.1000E+01 volume 14.51170 ppm1 3.066 ppm2 4.724
ASSI {  7832}
  (( segid "SEGA" and resid 91  and name HB  ))
  (( segid "SEGA" and resid 92  and name HA  ))
     6 6 0 peak 7832 weight  0.1000E+01 volume 23.84890 ppm1 5.124 ppm2 4.734
ASSI {  7842}
  (( segid "SEGA" and resid 74  and name HB1  ))
  (( segid "SEGA" and resid 92  and name HD1#  ))
     6 6 0 peak 7842 weight  0.1000E+01 volume 6.06370 ppm1 2.544 ppm2 0.821
ASSI {  7852}
  (( segid "SEGA" and resid 92  and name HA  ))
  (( segid "SEGA" and resid 92  and name HD1#  ))
     6 6 0 peak 7852 weight  0.1000E+01 volume 35.54540 ppm1 4.720 ppm2 0.819
ASSI {  7862}
  (( segid "SEGA" and resid 76  and name HA  ))
  (( segid "SEGA" and resid 92  and name HD1#  ))
     6 6 0 peak 7862 weight  0.1000E+01 volume 33.28050 ppm1 5.083 ppm2 0.817
ASSI {  7872}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 84  and name HB1  ))
     6 6 0 peak 7872 weight  0.1000E+01 volume 52.62130 ppm1 0.924 ppm2 2.266
ASSI {  7882}
  (( segid "SEGA" and resid 84  and name HB2  ))
  (( segid "SEGA" and resid 84  and name HB1  ))
     6 6 0 peak 7882 weight  0.1000E+01 volume 27.14670 ppm1 1.706 ppm2 2.273
ASSI {  7892}
  (( segid "SEGA" and resid 84  and name HG  ))
  (( segid "SEGA" and resid 84  and name HB1  ))
     6 6 0 peak 7892 weight  0.1000E+01 volume 47.89640 ppm1 1.536 ppm2 2.271
ASSI {  7902}
  (( segid "SEGA" and resid 92  and name HG12  ))
  (( segid "SEGA" and resid 92  and name HB  ))
     6 6 0 peak 7902 weight  0.1000E+01 volume 27.33900 ppm1 0.561 ppm2 2.262
ASSI {  7912}
  (( segid "SEGA" and resid 92  and name HA  ))
  (( segid "SEGA" and resid 26  and name HG1  ))
     6 6 0 peak 7912 weight  0.1000E+01 volume 48.32450 ppm1 4.713 ppm2 1.230
ASSI {  7922}
  (( segid "SEGA" and resid 91  and name HA  ))
  (( segid "SEGA" and resid 92  and name HG2#  ))
     6 6 0 peak 7922 weight  0.1000E+01 volume 18.82620 ppm1 4.630 ppm2 0.901
ASSI {  7932}
  (( segid "SEGA" and resid 92  and name HA  ))
  (( segid "SEGA" and resid 26  and name HG2  ))
     6 6 0 peak 7932 weight  0.1000E+01 volume 23.59400 ppm1 4.713 ppm2 1.072
ASSI {  7942}
  (( segid "SEGA" and resid 92  and name HG11  ))
  (( segid "SEGA" and resid 92  and name HD1#  ))
     6 6 0 peak 7942 weight  0.1000E+01 volume 184.45950 ppm1 1.146 ppm2 0.822
ASSI {  7962}
  (( segid "SEGA" and resid 67  and name HA  ))
  (( segid "SEGA" and resid 67  and name HB  ))
     6 6 0 peak 7962 weight  0.1000E+01 volume 2.46820 ppm1 3.891 ppm2 1.569
ASSI {  7972}
  (( segid "SEGA" and resid 97  and name HA  ))
  (( segid "SEGA" and resid 96  and name HB#  ))
     6 6 0 peak 7972 weight  0.1000E+01 volume 24.30890 ppm1 3.245 ppm2 1.520
ASSI {  7982}
  (( segid "SEGA" and resid 52  and name HD1  ))
  (( segid "SEGA" and resid 61  and name HB#  ))
     6 6 0 peak 7982 weight  0.1000E+01 volume 36.58970 ppm1 7.239 ppm2 1.553
ASSI {  7992}
  (( segid "SEGA" and resid 74  and name HB1  ))
  (( segid "SEGA" and resid 103  and name HA  ))
     6 6 0 peak 7992 weight  0.1000E+01 volume 6.80350 ppm1 2.545 ppm2 5.072
ASSI {  8002}
  (( segid "SEGA" and resid 103  and name HA  ))
  (( segid "SEGA" and resid 103  and name HB  ))
     6 6 0 peak 8002 weight  0.1000E+01 volume 28.37200 ppm1 5.070 ppm2 2.097
ASSI {  8012}
  (( segid "SEGA" and resid 98  and name HA2  ))
  (( segid "SEGA" and resid 97  and name HG2#  ))
     6 6 0 peak 8012 weight  0.1000E+01 volume 19.64320 ppm1 3.833 ppm2 0.899
ASSI {  8022}
  (( segid "SEGA" and resid 18  and name HG2#  ))
  (( segid "SEGA" and resid 18  and name HA  ))
     6 6 0 peak 8022 weight  0.1000E+01 volume 1.66090 ppm1 -0.094 ppm2 4.239
ASSI {  8032}
  (( segid "SEGA" and resid 8  and name HA  ))
  (( segid "SEGA" and resid 18  and name HA  ))
     6 6 0 peak 8032 weight  0.1000E+01 volume 41.07040 ppm1 5.139 ppm2 4.253
ASSI {  8042}
  (( segid "SEGA" and resid 6  and name HA  ))
  (( segid "SEGA" and resid 18  and name HG1#  ))
     6 6 0 peak 8042 weight  0.1000E+01 volume 28.79690 ppm1 5.657 ppm2 0.469
ASSI {  8052}
  (( segid "SEGA" and resid 29  and name HD1#  ))
  (( segid "SEGA" and resid 29  and name HA  ))
     6 6 0 peak 8052 weight  0.1000E+01 volume 35.85120 ppm1 0.366 ppm2 4.108
ASSI {  8062}
  (( segid "SEGA" and resid 34  and name HD2#  ))
  (( segid "SEGA" and resid 34  and name HA  ))
     6 6 0 peak 8062 weight  0.1000E+01 volume 5.41520 ppm1 0.369 ppm2 4.559
ASSI {  8072}
  (( segid "SEGA" and resid 34  and name HA  ))
  (( segid "SEGA" and resid 34  and name HB1  ))
     6 6 0 peak 8072 weight  0.1000E+01 volume 82.89270 ppm1 4.555 ppm2 1.496
ASSI {  8082}
  (( segid "SEGA" and resid 34  and name HA  ))
  (( segid "SEGA" and resid 34  and name HB2  ))
     6 6 0 peak 8082 weight  0.1000E+01 volume 44.19560 ppm1 4.552 ppm2 1.397
ASSI {  8092}
  (( segid "SEGA" and resid 86  and name HA  ))
  (( segid "SEGA" and resid 34  and name HD1#  ))
     6 6 0 peak 8092 weight  0.1000E+01 volume 25.26830 ppm1 5.184 ppm2 0.540
ASSI {  8102}
  (( segid "SEGA" and resid 34  and name HB2  ))
  (( segid "SEGA" and resid 34  and name HA  ))
     6 6 0 peak 8102 weight  0.1000E+01 volume 40.72550 ppm1 1.402 ppm2 4.561
ASSI {  8112}
  (( segid "SEGA" and resid 98  and name HA1  ))
  (( segid "SEGA" and resid 97  and name HD1#  ))
     6 6 0 peak 8112 weight  0.1000E+01 volume 15.00810 ppm1 4.499 ppm2 1.008
ASSI {  8122}
  (( segid "SEGA" and resid 23  and name HB1  ))
  (( segid "SEGA" and resid 97  and name HD1#  ))
     6 6 0 peak 8122 weight  0.1000E+01 volume 35.01300 ppm1 4.031 ppm2 1.011
ASSI {  8132}
  (( segid "SEGA" and resid 23  and name HA  ))
  (( segid "SEGA" and resid 97  and name HD1#  ))
     6 6 0 peak 8132 weight  0.1000E+01 volume 10.81970 ppm1 4.914 ppm2 1.011
ASSI {  8142}
  (( segid "SEGA" and resid 102  and name HG2#  ))
  (( segid "SEGA" and resid 71  and name HA  ))
     6 6 0 peak 8142 weight  0.1000E+01 volume 22.00440 ppm1 0.902 ppm2 4.783
ASSI {  8162}
  (( segid "SEGA" and resid 84  and name HB1  ))
  (( segid "SEGA" and resid 84  and name HA  ))
     6 6 0 peak 8162 weight  0.1000E+01 volume 21.25220 ppm1 2.255 ppm2 3.655
ASSI {  8172}
  (( segid "SEGA" and resid 2  and name HA  ))
  (( segid "SEGA" and resid 6  and name HG2#  ))
     6 6 0 peak 8172 weight  0.1000E+01 volume 1.97670 ppm1 5.465 ppm2 0.461
ASSI {  8182}
  (( segid "SEGA" and resid 7  and name HG2#  ))
  (( segid "SEGA" and resid 6  and name HA  ))
     6 6 0 peak 8182 weight  0.1000E+01 volume 19.21840 ppm1 0.980 ppm2 5.662
ASSI {  8192}
  (( segid "SEGA" and resid 89  and name HG11  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 8192 weight  0.1000E+01 volume 25.24040 ppm1 0.937 ppm2 0.410
ASSI {  8202}
  (( segid "SEGA" and resid 31  and name HG1  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 8202 weight  0.1000E+01 volume 11.59530 ppm1 2.350 ppm2 0.397
ASSI {  8212}
  (( segid "SEGA" and resid 89  and name HN  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 8212 weight  0.1000E+01 volume 2.73060 ppm1 8.295 ppm2 0.384
ASSI {  8222}
  (( segid "SEGA" and resid 101  and name HA  ))
  (( segid "SEGA" and resid 101  and name HD1#  ))
     6 6 0 peak 8222 weight  0.1000E+01 volume 62.09410 ppm1 4.726 ppm2 0.676
ASSI {  8232}
  (( segid "SEGA" and resid 57  and name HB1  ))
  (( segid "SEGA" and resid 57  and name HA  ))
     6 6 0 peak 8232 weight  0.1000E+01 volume 67.03420 ppm1 2.099 ppm2 4.988
ASSI {  8242}
  (( segid "SEGA" and resid 57  and name HB2  ))
  (( segid "SEGA" and resid 57  and name HA  ))
     6 6 0 peak 8242 weight  0.1000E+01 volume 44.20220 ppm1 1.777 ppm2 4.991
ASSI {  8252}
  (( segid "SEGA" and resid 38  and name HG2  ))
  (( segid "SEGA" and resid 38  and name HA  ))
     6 6 0 peak 8252 weight  0.1000E+01 volume 11.44000 ppm1 1.219 ppm2 4.974
ASSI {  8262}
  (( segid "SEGA" and resid 57  and name HG1  ))
  (( segid "SEGA" and resid 57  and name HB1  ))
     6 6 0 peak 8262 weight  0.1000E+01 volume 29.76360 ppm1 2.722 ppm2 2.079
ASSI {  8272}
  (( segid "SEGA" and resid 57  and name HA  ))
  (( segid "SEGA" and resid 57  and name HB1  ))
     6 6 0 peak 8272 weight  0.1000E+01 volume 8.73580 ppm1 5.009 ppm2 2.075
ASSI {  8282}
  (( segid "SEGA" and resid 57  and name HG2  ))
  (( segid "SEGA" and resid 57  and name HB1  ))
     6 6 0 peak 8282 weight  0.1000E+01 volume 46.65960 ppm1 2.519 ppm2 2.082
ASSI {  8292}
  (( segid "SEGA" and resid 57  and name HB2  ))
  (( segid "SEGA" and resid 57  and name HB1  ))
     6 6 0 peak 8292 weight  0.1000E+01 volume 33.12230 ppm1 1.793 ppm2 2.071
ASSI {  8302}
  (( segid "SEGA" and resid 57  and name HE#  ))
  (( segid "SEGA" and resid 57  and name HG2  ))
     6 6 0 peak 8302 weight  0.1000E+01 volume 330.92581 ppm1 2.100 ppm2 2.512
ASSI {  8312}
  (( segid "SEGA" and resid 78  and name HB2  ))
  (( segid "SEGA" and resid 78  and name HA  ))
     6 6 0 peak 8312 weight  0.1000E+01 volume 5.97820 ppm1 2.615 ppm2 5.887
ASSI {  8322}
  (( segid "SEGA" and resid 89  and name HA  ))
  (( segid "SEGA" and resid 78  and name HA  ))
     6 6 0 peak 8322 weight  0.1000E+01 volume 5.92650 ppm1 5.053 ppm2 5.875
ASSI {  8342}
  (( segid "SEGA" and resid 6  and name HA  ))
  (( segid "SEGA" and resid 6  and name HB  ))
     6 6 0 peak 8342 weight  0.1000E+01 volume 37.15210 ppm1 5.665 ppm2 2.080
ASSI {  8352}
  (( segid "SEGA" and resid 8  and name HA  ))
  (( segid "SEGA" and resid 18  and name HG2#  ))
     6 6 0 peak 8352 weight  0.1000E+01 volume 3.07460 ppm1 5.124 ppm2 -0.211
ASSI {  8362}
  (( segid "SEGA" and resid 8  and name HG1#  ))
  (( segid "SEGA" and resid 8  and name HB  ))
     6 6 0 peak 8362 weight  0.1000E+01 volume 88.51960 ppm1 0.969 ppm2 2.101
ASSI {  8372}
  (( segid "SEGA" and resid 43  and name HH2  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 8372 weight  0.1000E+01 volume 17.20870 ppm1 6.888 ppm2 -0.359
ASSI {  8382}
  (( segid "SEGA" and resid 43  and name HZ2  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 8382 weight  0.1000E+01 volume 3.27090 ppm1 7.479 ppm2 -0.357
ASSI {  8392}
  (( segid "SEGA" and resid 24  and name HZ  ))
  (( segid "SEGA" and resid 30  and name HA  ))
     6 6 0 peak 8392 weight  0.1000E+01 volume 9.94380 ppm1 7.339 ppm2 3.977
ASSI {  8402}
  (( segid "SEGA" and resid 51  and name HB2  ))
  (( segid "SEGA" and resid 51  and name HA  ))
     6 6 0 peak 8402 weight  0.1000E+01 volume 14.12570 ppm1 0.776 ppm2 4.137
ASSI {  8412}
  (( segid "SEGA" and resid 90  and name HE1  ))
  (( segid "SEGA" and resid 29  and name HA  ))
     6 6 0 peak 8412 weight  0.1000E+01 volume 7.59200 ppm1 7.292 ppm2 4.118
ASSI {  8422}
  (( segid "SEGA" and resid 90  and name HD1  ))
  (( segid "SEGA" and resid 29  and name HA  ))
     6 6 0 peak 8422 weight  0.1000E+01 volume 19.80020 ppm1 6.917 ppm2 4.110
ASSI {  8432}
  (( segid "SEGA" and resid 90  and name HA  ))
  (( segid "SEGA" and resid 29  and name HA  ))
     6 6 0 peak 8432 weight  0.1000E+01 volume 12.74030 ppm1 5.589 ppm2 4.110
ASSI {  8442}
  (( segid "SEGA" and resid 60  and name HA  ))
  (( segid "SEGA" and resid 51  and name HA  ))
     6 6 0 peak 8442 weight  0.1000E+01 volume 15.25950 ppm1 4.990 ppm2 4.140
ASSI {  8452}
  (( segid "SEGA" and resid 51  and name HB1  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 8452 weight  0.1000E+01 volume 8.44790 ppm1 1.361 ppm2 -0.363
ASSI {  8462}
  (( segid "SEGA" and resid 51  and name HD2#  ))
  (( segid "SEGA" and resid 51  and name HB1  ))
     6 6 0 peak 8462 weight  0.1000E+01 volume 15.35680 ppm1 0.077 ppm2 1.357
ASSI {  8472}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 51  and name HB1  ))
     6 6 0 peak 8472 weight  0.1000E+01 volume 5.19910 ppm1 -0.354 ppm2 1.363
ASSI {  8482}
  (( segid "SEGA" and resid 51  and name HD2#  ))
  (( segid "SEGA" and resid 51  and name HB2  ))
     6 6 0 peak 8482 weight  0.1000E+01 volume 14.31250 ppm1 0.077 ppm2 0.772
ASSI {  8492}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 51  and name HB2  ))
     6 6 0 peak 8492 weight  0.1000E+01 volume 9.43050 ppm1 -0.352 ppm2 0.778
ASSI {  8502}
  (( segid "SEGA" and resid 29  and name HB2  ))
  (( segid "SEGA" and resid 29  and name HB1  ))
     6 6 0 peak 8502 weight  0.1000E+01 volume 61.36260 ppm1 1.498 ppm2 1.965
ASSI {  8512}
  (( segid "SEGA" and resid 29  and name HD2#  ))
  (( segid "SEGA" and resid 29  and name HB1  ))
     6 6 0 peak 8512 weight  0.1000E+01 volume 90.95410 ppm1 0.910 ppm2 1.967
ASSI {  8522}
  (( segid "SEGA" and resid 29  and name HG  ))
  (( segid "SEGA" and resid 29  and name HB2  ))
     6 6 0 peak 8522 weight  0.1000E+01 volume 11.30050 ppm1 1.185 ppm2 1.499
ASSI {  8532}
  (( segid "SEGA" and resid 29  and name HD1#  ))
  (( segid "SEGA" and resid 29  and name HB2  ))
     6 6 0 peak 8532 weight  0.1000E+01 volume 16.74470 ppm1 0.363 ppm2 1.499
ASSI {  8542}
  (( segid "SEGA" and resid 29  and name HB1  ))
  (( segid "SEGA" and resid 29  and name HB2  ))
     6 6 0 peak 8542 weight  0.1000E+01 volume 34.39580 ppm1 1.962 ppm2 1.500
ASSI {  8552}
  (( segid "SEGA" and resid 32  and name HA  ))
  (( segid "SEGA" and resid 29  and name HD1#  ))
     6 6 0 peak 8552 weight  0.1000E+01 volume 11.44670 ppm1 5.359 ppm2 0.368
ASSI {  8562}
  (( segid "SEGA" and resid 90  and name HA  ))
  (( segid "SEGA" and resid 29  and name HD1#  ))
     6 6 0 peak 8562 weight  0.1000E+01 volume 30.29780 ppm1 5.592 ppm2 0.367
ASSI {  8572}
  (( segid "SEGA" and resid 29  and name HD2#  ))
  (( segid "SEGA" and resid 29  and name HA  ))
     6 6 0 peak 8572 weight  0.1000E+01 volume 8.12210 ppm1 0.915 ppm2 4.108
ASSI {  8582}
  (( segid "SEGA" and resid 60  and name HB1  ))
  (( segid "SEGA" and resid 62  and name HD2#  ))
     6 6 0 peak 8582 weight  0.1000E+01 volume 22.85150 ppm1 2.563 ppm2 0.701
ASSI {  8592}
  (( segid "SEGA" and resid 35  and name HA  ))
  (( segid "SEGA" and resid 62  and name HD2#  ))
     6 6 0 peak 8592 weight  0.1000E+01 volume 8.98030 ppm1 5.350 ppm2 0.699
ASSI {  8602}
  (( segid "SEGA" and resid 62  and name HB1  ))
  (( segid "SEGA" and resid 62  and name HD1#  ))
     6 6 0 peak 8602 weight  0.1000E+01 volume 313.34320 ppm1 1.846 ppm2 0.773
ASSI {  8612}
  (( segid "SEGA" and resid 62  and name HA  ))
  (( segid "SEGA" and resid 62  and name HD1#  ))
     6 6 0 peak 8612 weight  0.1000E+01 volume 7.78040 ppm1 4.478 ppm2 0.770
ASSI {  8622}
  (( segid "SEGA" and resid 47  and name HB1  ))
  (( segid "SEGA" and resid 47  and name HA  ))
     6 6 0 peak 8622 weight  0.1000E+01 volume 13.50280 ppm1 2.004 ppm2 4.833
ASSI {  8632}
  (( segid "SEGA" and resid 47  and name HA  ))
  (( segid "SEGA" and resid 47  and name HB1  ))
     6 6 0 peak 8632 weight  0.1000E+01 volume 9.41740 ppm1 4.844 ppm2 1.971
ASSI {  8642}
  (( segid "SEGA" and resid 47  and name HA  ))
  (( segid "SEGA" and resid 47  and name HD1#  ))
     6 6 0 peak 8642 weight  0.1000E+01 volume 22.23790 ppm1 4.838 ppm2 1.452
ASSI {  8652}
  (( segid "SEGA" and resid 80  and name HA  ))
  (( segid "SEGA" and resid 80  and name HB2  ))
     6 6 0 peak 8652 weight  0.1000E+01 volume 17.81660 ppm1 5.367 ppm2 1.496
ASSI {  8662}
  (( segid "SEGA" and resid 80  and name HA  ))
  (( segid "SEGA" and resid 80  and name HB1  ))
     6 6 0 peak 8662 weight  0.1000E+01 volume 6.23170 ppm1 5.367 ppm2 1.608
ASSI {  8672}
  (( segid "SEGA" and resid 80  and name HD2#  ))
  (( segid "SEGA" and resid 80  and name HB1  ))
     6 6 0 peak 8672 weight  0.1000E+01 volume 23.19790 ppm1 0.591 ppm2 1.610
ASSI {  8682}
  (( segid "SEGA" and resid 2  and name HZ  ))
  (( segid "SEGA" and resid 1  and name HA  ))
     6 6 0 peak 8682 weight  0.1000E+01 volume 10.10530 ppm1 6.900 ppm2 3.916
ASSI {  8692}
  (( segid "SEGA" and resid 8  and name HB  ))
  (( segid "SEGA" and resid 1  and name HA  ))
     6 6 0 peak 8692 weight  0.1000E+01 volume 6.39760 ppm1 2.089 ppm2 3.916
ASSI {  8722}
  (( segid "SEGA" and resid 87  and name HG1  ))
  (( segid "SEGA" and resid 80  and name HD2#  ))
     6 6 0 peak 8722 weight  0.1000E+01 volume 21.98580 ppm1 2.002 ppm2 0.590
ASSI {  8732}
  (( segid "SEGA" and resid 80  and name HB1  ))
  (( segid "SEGA" and resid 80  and name HD2#  ))
     6 6 0 peak 8732 weight  0.1000E+01 volume 118.60400 ppm1 1.542 ppm2 0.591
ASSI {  8742}
  (( segid "SEGA" and resid 80  and name HG  ))
  (( segid "SEGA" and resid 80  and name HD2#  ))
     6 6 0 peak 8742 weight  0.1000E+01 volume 67.18930 ppm1 1.372 ppm2 0.593
ASSI {  8752}
  (( segid "SEGA" and resid 23  and name HA  ))
  (( segid "SEGA" and resid 97  and name HA  ))
     6 6 0 peak 8752 weight  0.1000E+01 volume 3.63150 ppm1 4.921 ppm2 3.243
ASSI {  8762}
  (( segid "SEGA" and resid 22  and name HA  ))
  (( segid "SEGA" and resid 97  and name HA  ))
     6 6 0 peak 8762 weight  0.1000E+01 volume 13.60620 ppm1 4.589 ppm2 3.248
ASSI {  8772}
  (( segid "SEGA" and resid 21  and name HA  ))
  (( segid "SEGA" and resid 97  and name HA  ))
     6 6 0 peak 8772 weight  0.1000E+01 volume 26.26350 ppm1 4.490 ppm2 3.241
ASSI {  8782}
  (( segid "SEGA" and resid 75  and name HB1  ))
  (( segid "SEGA" and resid 95  and name HD1#  ))
     6 6 0 peak 8782 weight  0.1000E+01 volume 26.09240 ppm1 3.149 ppm2 0.679
ASSI {  8792}
  (( segid "SEGA" and resid 85  and name HE1  ))
  (( segid "SEGA" and resid 84  and name HD1#  ))
     6 6 0 peak 8792 weight  0.1000E+01 volume 2.96880 ppm1 3.204 ppm2 0.833
ASSI {  8802}
  (( segid "SEGA" and resid 6  and name HB  ))
  (( segid "SEGA" and resid 6  and name HG1#  ))
     6 6 0 peak 8802 weight  0.1000E+01 volume 113.14610 ppm1 2.095 ppm2 0.865
ASSI {  8812}
  (( segid "SEGA" and resid 20  and name HA  ))
  (( segid "SEGA" and resid 6  and name HG1#  ))
     6 6 0 peak 8812 weight  0.1000E+01 volume 46.00190 ppm1 4.710 ppm2 0.861
ASSI {  8822}
  (( segid "SEGA" and resid 18  and name HG1#  ))
  (( segid "SEGA" and resid 6  and name HB  ))
     6 6 0 peak 8822 weight  0.1000E+01 volume 12.16940 ppm1 0.366 ppm2 2.084
ASSI {  8832}
  (( segid "SEGA" and resid 26  and name HB2  ))
  (( segid "SEGA" and resid 26  and name HA  ))
     6 6 0 peak 8832 weight  0.1000E+01 volume 29.04980 ppm1 1.471 ppm2 3.631
ASSI {  8842}
  (( segid "SEGA" and resid 26  and name HE1  ))
  (( segid "SEGA" and resid 26  and name HA  ))
     6 6 0 peak 8842 weight  0.1000E+01 volume 15.81000 ppm1 3.065 ppm2 3.636
ASSI {  8852}
  (( segid "SEGA" and resid 26  and name HE1  ))
  (( segid "SEGA" and resid 26  and name HB1  ))
     6 6 0 peak 8852 weight  0.1000E+01 volume 25.25900 ppm1 3.063 ppm2 1.774
ASSI {  8862}
  (( segid "SEGA" and resid 26  and name HA  ))
  (( segid "SEGA" and resid 26  and name HD1  ))
     6 6 0 peak 8862 weight  0.1000E+01 volume 66.57090 ppm1 3.637 ppm2 1.759
ASSI {  8872}
  (( segid "SEGA" and resid 26  and name HE1  ))
  (( segid "SEGA" and resid 26  and name HB2  ))
     6 6 0 peak 8872 weight  0.1000E+01 volume 23.94370 ppm1 3.066 ppm2 1.479
ASSI {  8882}
  (( segid "SEGA" and resid 94  and name HD1  ))
  (( segid "SEGA" and resid 26  and name HB2  ))
     6 6 0 peak 8882 weight  0.1000E+01 volume 31.74910 ppm1 3.776 ppm2 1.481
ASSI {  8892}
  (( segid "SEGA" and resid 94  and name HD1  ))
  (( segid "SEGA" and resid 26  and name HG2  ))
     6 6 0 peak 8892 weight  0.1000E+01 volume 11.65660 ppm1 3.773 ppm2 1.075
ASSI {  8902}
  (( segid "SEGA" and resid 26  and name HB2  ))
  (( segid "SEGA" and resid 26  and name HD1  ))
     6 6 0 peak 8902 weight  0.1000E+01 volume 428.26071 ppm1 1.479 ppm2 1.750
ASSI {  8912}
  (( segid "SEGA" and resid 30  and name HG1#  ))
  (( segid "SEGA" and resid 30  and name HG2#  ))
     6 6 0 peak 8912 weight  0.1000E+01 volume 305.35760 ppm1 0.799 ppm2 0.440
ASSI {  8922}
  (( segid "SEGA" and resid 68  and name HA  ))
  (( segid "SEGA" and resid 30  and name HG2#  ))
     6 6 0 peak 8922 weight  0.1000E+01 volume 31.74940 ppm1 4.108 ppm2 0.443
ASSI {  8932}
  (( segid "SEGA" and resid 90  and name HA  ))
  (( segid "SEGA" and resid 30  and name HG2#  ))
     6 6 0 peak 8932 weight  0.1000E+01 volume 20.02130 ppm1 5.592 ppm2 0.441
ASSI {  8942}
  (( segid "SEGA" and resid 30  and name HA  ))
  (( segid "SEGA" and resid 30  and name HB  ))
     6 6 0 peak 8942 weight  0.1000E+01 volume 13.59090 ppm1 3.975 ppm2 1.459
ASSI {  8952}
  (( segid "SEGA" and resid 30  and name HB  ))
  (( segid "SEGA" and resid 30  and name HG2#  ))
     6 6 0 peak 8952 weight  0.1000E+01 volume 111.80120 ppm1 1.475 ppm2 0.439
ASSI {  8962}
  (( segid "SEGA" and resid 68  and name HE1  ))
  (( segid "SEGA" and resid 30  and name HG1#  ))
     6 6 0 peak 8962 weight  0.1000E+01 volume 124.07970 ppm1 6.853 ppm2 0.799
ASSI {  8972}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 30  and name HG1#  ))
     6 6 0 peak 8972 weight  0.1000E+01 volume 21.22250 ppm1 7.246 ppm2 0.795
ASSI {  8982}
  (( segid "SEGA" and resid 24  and name HZ  ))
  (( segid "SEGA" and resid 30  and name HG1#  ))
     6 6 0 peak 8982 weight  0.1000E+01 volume 17.31390 ppm1 7.342 ppm2 0.801
ASSI {  8992}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 30  and name HG1#  ))
     6 6 0 peak 8992 weight  0.1000E+01 volume 28.85460 ppm1 7.491 ppm2 0.797
ASSI {  9002}
  (( segid "SEGA" and resid 64  and name HD1  ))
  (( segid "SEGA" and resid 30  and name HG1#  ))
     6 6 0 peak 9002 weight  0.1000E+01 volume 18.99650 ppm1 7.091 ppm2 0.797
ASSI {  9012}
  (( segid "SEGA" and resid 30  and name HA  ))
  (( segid "SEGA" and resid 30  and name HG1#  ))
     6 6 0 peak 9012 weight  0.1000E+01 volume 41.48860 ppm1 3.974 ppm2 0.800
ASSI {  9042}
  (( segid "SEGA" and resid 30  and name HB  ))
  (( segid "SEGA" and resid 30  and name HG1#  ))
     6 6 0 peak 9042 weight  0.1000E+01 volume 172.21600 ppm1 1.473 ppm2 0.793
ASSI {  9052}
  (( segid "SEGA" and resid 30  and name HG2#  ))
  (( segid "SEGA" and resid 30  and name HG1#  ))
     6 6 0 peak 9052 weight  0.1000E+01 volume 308.83630 ppm1 0.444 ppm2 0.803
ASSI {  9062}
  (( segid "SEGA" and resid 65  and name HA1  ))
  (( segid "SEGA" and resid 65  and name HA2  ))
     6 6 0 peak 9062 weight  0.1000E+01 volume 21.71320 ppm1 4.254 ppm2 3.825
ASSI {  9072}
  (( segid "SEGA" and resid 65  and name HA2  ))
  (( segid "SEGA" and resid 65  and name HA1  ))
     6 6 0 peak 9072 weight  0.1000E+01 volume 16.18180 ppm1 3.816 ppm2 4.230
ASSI {  9082}
  (( segid "SEGA" and resid 95  and name HD1#  ))
  (( segid "SEGA" and resid 75  and name HB2  ))
     6 6 0 peak 9082 weight  0.1000E+01 volume 16.41850 ppm1 0.686 ppm2 2.881
ASSI {  9092}
  (( segid "SEGA" and resid 78  and name HA  ))
  (( segid "SEGA" and resid 78  and name HB1  ))
     6 6 0 peak 9092 weight  0.1000E+01 volume 6.70810 ppm1 5.876 ppm2 2.871
ASSI {  9102}
  (( segid "SEGA" and resid 78  and name HB1  ))
  (( segid "SEGA" and resid 78  and name HB2  ))
     6 6 0 peak 9102 weight  0.1000E+01 volume 8.08190 ppm1 2.858 ppm2 2.609
ASSI {  9112}
  (( segid "SEGA" and resid 78  and name HA  ))
  (( segid "SEGA" and resid 78  and name HB2  ))
     6 6 0 peak 9112 weight  0.1000E+01 volume 8.09430 ppm1 5.874 ppm2 2.621
ASSI {  9122}
  (( segid "SEGA" and resid 57  and name HG1  ))
  (( segid "SEGA" and resid 57  and name HA  ))
     6 6 0 peak 9122 weight  0.1000E+01 volume 23.53200 ppm1 2.724 ppm2 5.018
ASSI {  9132}
  (( segid "SEGA" and resid 95  and name HB  ))
  (( segid "SEGA" and resid 95  and name HA  ))
     6 6 0 peak 9132 weight  0.1000E+01 volume 32.02380 ppm1 1.842 ppm2 4.414
ASSI {  9142}
  (( segid "SEGA" and resid 38  and name HD1  ))
  (( segid "SEGA" and resid 42  and name HB2  ))
     6 6 0 peak 9142 weight  0.1000E+01 volume 5.44500 ppm1 3.550 ppm2 2.378
ASSI {  9152}
  (( segid "SEGA" and resid 48  and name HB1  ))
  (( segid "SEGA" and resid 45  and name HA  ))
     6 6 0 peak 9152 weight  0.1000E+01 volume 22.74500 ppm1 2.116 ppm2 4.326
ASSI {  9162}
  (( segid "SEGA" and resid 48  and name HG2  ))
  (( segid "SEGA" and resid 45  and name HA  ))
     6 6 0 peak 9162 weight  0.1000E+01 volume 13.89330 ppm1 2.295 ppm2 4.327
ASSI {  9172}
  (( segid "SEGA" and resid 48  and name HG1  ))
  (( segid "SEGA" and resid 45  and name HA  ))
     6 6 0 peak 9172 weight  0.1000E+01 volume 10.17020 ppm1 2.389 ppm2 4.326
ASSI {  9182}
  (( segid "SEGA" and resid 76  and name HB#  ))
  (( segid "SEGA" and resid 91  and name HA  ))
     6 6 0 peak 9182 weight  0.1000E+01 volume 19.80980 ppm1 1.012 ppm2 4.609
ASSI {  9192}
  (( segid "SEGA" and resid 74  and name HB1  ))
  (( segid "SEGA" and resid 74  and name HA  ))
     6 6 0 peak 9192 weight  0.1000E+01 volume 19.77400 ppm1 2.544 ppm2 4.608
ASSI {  9202}
  (( segid "SEGA" and resid 74  and name HG1  ))
  (( segid "SEGA" and resid 74  and name HA  ))
     6 6 0 peak 9202 weight  0.1000E+01 volume 19.36300 ppm1 1.989 ppm2 4.617
ASSI {  9212}
  (( segid "SEGA" and resid 94  and name HD1  ))
  (( segid "SEGA" and resid 94  and name HA  ))
     6 6 0 peak 9212 weight  0.1000E+01 volume 14.95340 ppm1 3.773 ppm2 4.619
ASSI {  9222}
  (( segid "SEGA" and resid 94  and name HG2  ))
  (( segid "SEGA" and resid 94  and name HA  ))
     6 6 0 peak 9222 weight  0.1000E+01 volume 15.20770 ppm1 2.116 ppm2 4.627
ASSI {  9232}
  (( segid "SEGA" and resid 22  and name HG1  ))
  (( segid "SEGA" and resid 5  and name HA  ))
     6 6 0 peak 9232 weight  0.1000E+01 volume 18.95610 ppm1 0.546 ppm2 4.417
ASSI {  9252}
  (( segid "SEGA" and resid 5  and name HG2  ))
  (( segid "SEGA" and resid 5  and name HA  ))
     6 6 0 peak 9252 weight  0.1000E+01 volume 29.22300 ppm1 1.964 ppm2 4.421
ASSI {  9262}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 5  and name HA  ))
     6 6 0 peak 9262 weight  0.1000E+01 volume 25.32100 ppm1 7.494 ppm2 4.421
ASSI {  9292}
  (( segid "SEGA" and resid 5  and name HB1  ))
  (( segid "SEGA" and resid 5  and name HD2  ))
     6 6 0 peak 9292 weight  0.1000E+01 volume 82.66120 ppm1 2.287 ppm2 3.526
ASSI {  9302}
  (( segid "SEGA" and resid 5  and name HA  ))
  (( segid "SEGA" and resid 5  and name HD2  ))
     6 6 0 peak 9302 weight  0.1000E+01 volume 30.80160 ppm1 4.419 ppm2 3.526
ASSI {  9312}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 5  and name HD2  ))
     6 6 0 peak 9312 weight  0.1000E+01 volume 64.29160 ppm1 7.488 ppm2 3.534
ASSI {  9322}
  (( segid "SEGA" and resid 5  and name HD2  ))
  (( segid "SEGA" and resid 5  and name HA  ))
     6 6 0 peak 9322 weight  0.1000E+01 volume 18.22860 ppm1 3.541 ppm2 4.422
ASSI {  9332}
  (( segid "SEGA" and resid 97  and name HG2#  ))
  (( segid "SEGA" and resid 21  and name HA  ))
     6 6 0 peak 9332 weight  0.1000E+01 volume 85.08750 ppm1 0.894 ppm2 4.493
ASSI {  9342}
  (( segid "SEGA" and resid 21  and name HD2  ))
  (( segid "SEGA" and resid 21  and name HA  ))
     6 6 0 peak 9342 weight  0.1000E+01 volume 23.73720 ppm1 3.252 ppm2 4.501
ASSI {  9352}
  (( segid "SEGA" and resid 21  and name HD1  ))
  (( segid "SEGA" and resid 21  and name HA  ))
     6 6 0 peak 9352 weight  0.1000E+01 volume 5.77460 ppm1 3.432 ppm2 4.492
ASSI {  9362}
  (( segid "SEGA" and resid 38  and name HB1  ))
  (( segid "SEGA" and resid 38  and name HD1  ))
     6 6 0 peak 9362 weight  0.1000E+01 volume 8.34870 ppm1 2.082 ppm2 3.575
ASSI {  9372}
  (( segid "SEGA" and resid 38  and name HG1  ))
  (( segid "SEGA" and resid 38  and name HD1  ))
     6 6 0 peak 9372 weight  0.1000E+01 volume 31.81280 ppm1 1.427 ppm2 3.572
ASSI {  9382}
  (( segid "SEGA" and resid 38  and name HG2  ))
  (( segid "SEGA" and resid 38  and name HD1  ))
     6 6 0 peak 9382 weight  0.1000E+01 volume 23.64010 ppm1 1.222 ppm2 3.572
ASSI {  9392}
  (( segid "SEGA" and resid 38  and name HB1  ))
  (( segid "SEGA" and resid 38  and name HD2  ))
     6 6 0 peak 9392 weight  0.1000E+01 volume 58.30110 ppm1 2.072 ppm2 3.296
ASSI {  9402}
  (( segid "SEGA" and resid 38  and name HG1  ))
  (( segid "SEGA" and resid 38  and name HA  ))
     6 6 0 peak 9402 weight  0.1000E+01 volume 20.92660 ppm1 1.424 ppm2 4.971
ASSI {  9412}
  (( segid "SEGA" and resid 24  and name HA  ))
  (( segid "SEGA" and resid 24  and name HB1  ))
     6 6 0 peak 9412 weight  0.1000E+01 volume 21.50060 ppm1 5.058 ppm2 3.261
ASSI {  9422}
  (( segid "SEGA" and resid 52  and name HA  ))
  (( segid "SEGA" and resid 52  and name HB2  ))
     6 6 0 peak 9422 weight  0.1000E+01 volume 31.94720 ppm1 4.916 ppm2 2.823
ASSI {  9442}
  (( segid "SEGA" and resid 110  and name HD1  ))
  (( segid "SEGA" and resid 110  and name HB2  ))
     6 6 0 peak 9442 weight  0.1000E+01 volume 8.61890 ppm1 7.233 ppm2 3.203
ASSI {  9452}
  (( segid "SEGA" and resid 110  and name HE3  ))
  (( segid "SEGA" and resid 110  and name HB2  ))
     6 6 0 peak 9452 weight  0.1000E+01 volume 12.69620 ppm1 7.601 ppm2 3.196
ASSI {  9462}
  (( segid "SEGA" and resid 110  and name HE3  ))
  (( segid "SEGA" and resid 110  and name HB1  ))
     6 6 0 peak 9462 weight  0.1000E+01 volume 5.76580 ppm1 7.613 ppm2 3.372
ASSI {  9472}
  (( segid "SEGA" and resid 110  and name HD1  ))
  (( segid "SEGA" and resid 110  and name HB1  ))
     6 6 0 peak 9472 weight  0.1000E+01 volume 4.29070 ppm1 7.253 ppm2 3.382
ASSI {  9482}
  (( segid "SEGA" and resid 82  and name HB#  ))
  (( segid "SEGA" and resid 81  and name HB  ))
     6 6 0 peak 9482 weight  0.1000E+01 volume 8.95990 ppm1 1.521 ppm2 4.824
ASSI {  9492}
  (( segid "SEGA" and resid 105  and name HE1  ))
  (( segid "SEGA" and resid 105  and name HA  ))
     6 6 0 peak 9492 weight  0.1000E+01 volume 5.32620 ppm1 6.627 ppm2 4.429
ASSI {  9502}
  (( segid "SEGA" and resid 64  and name HB1  ))
  (( segid "SEGA" and resid 64  and name HA  ))
     6 6 0 peak 9502 weight  0.1000E+01 volume 5.14250 ppm1 3.106 ppm2 4.827
ASSI {  9512}
  (( segid "SEGA" and resid 67  and name HB  ))
  (( segid "SEGA" and resid 64  and name HA  ))
     6 6 0 peak 9512 weight  0.1000E+01 volume 7.17210 ppm1 1.570 ppm2 4.827
ASSI {  9522}
  (( segid "SEGA" and resid 60  and name HB1  ))
  (( segid "SEGA" and resid 60  and name HA  ))
     6 6 0 peak 9522 weight  0.1000E+01 volume 6.94950 ppm1 2.571 ppm2 4.987
ASSI {  9532}
  (( segid "SEGA" and resid 25  and name HB2  ))
  (( segid "SEGA" and resid 25  and name HB1  ))
     6 6 0 peak 9532 weight  0.1000E+01 volume 188.10040 ppm1 1.990 ppm2 2.293
ASSI {  9542}
  (( segid "SEGA" and resid 94  and name HA  ))
  (( segid "SEGA" and resid 94  and name HB1  ))
     6 6 0 peak 9542 weight  0.1000E+01 volume 112.26910 ppm1 4.619 ppm2 2.554
ASSI {  9552}
  (( segid "SEGA" and resid 26  and name HB1  ))
  (( segid "SEGA" and resid 94  and name HG1  ))
     6 6 0 peak 9552 weight  0.1000E+01 volume 11.49310 ppm1 1.768 ppm2 2.282
ASSI {  9562}
  (( segid "SEGA" and resid 94  and name HG2  ))
  (( segid "SEGA" and resid 94  and name HB1  ))
     6 6 0 peak 9562 weight  0.1000E+01 volume 63.59010 ppm1 2.129 ppm2 2.558
ASSI {  9582}
  (( segid "SEGA" and resid 45  and name HA  ))
  (( segid "SEGA" and resid 48  and name HA  ))
     6 6 0 peak 9582 weight  0.1000E+01 volume 4.99520 ppm1 4.339 ppm2 3.779
ASSI {  9602}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 48  and name HA  ))
     6 6 0 peak 9602 weight  0.1000E+01 volume 15.83140 ppm1 -0.353 ppm2 3.770
ASSI {  9612}
  (( segid "SEGA" and resid 85  and name HG2  ))
  (( segid "SEGA" and resid 85  and name HA  ))
     6 6 0 peak 9612 weight  0.1000E+01 volume 134.21429 ppm1 1.541 ppm2 3.856
ASSI {  9622}
  (( segid "SEGA" and resid 64  and name HD1  ))
  (( segid "SEGA" and resid 64  and name HA  ))
     6 6 0 peak 9622 weight  0.1000E+01 volume 17.40820 ppm1 7.010 ppm2 4.824
ASSI {  9632}
  (( segid "SEGA" and resid 64  and name HD1  ))
  (( segid "SEGA" and resid 64  and name HB1  ))
     6 6 0 peak 9632 weight  0.1000E+01 volume 3.96770 ppm1 7.007 ppm2 3.108
ASSI {  9642}
  (( segid "SEGA" and resid 81  and name HA  ))
  (( segid "SEGA" and resid 82  and name HA  ))
     6 6 0 peak 9642 weight  0.1000E+01 volume 7.93620 ppm1 4.402 ppm2 4.252
ASSI {  9652}
  (( segid "SEGA" and resid 62  and name HG  ))
  (( segid "SEGA" and resid 35  and name HA  ))
     6 6 0 peak 9652 weight  0.1000E+01 volume 18.01450 ppm1 1.682 ppm2 5.355
ASSI {  9662}
  (( segid "SEGA" and resid 6  and name HA  ))
  (( segid "SEGA" and resid 20  and name HA  ))
     6 6 0 peak 9662 weight  0.1000E+01 volume 31.11490 ppm1 5.660 ppm2 4.699
ASSI {  9672}
  (( segid "SEGA" and resid 21  and name HA  ))
  (( segid "SEGA" and resid 6  and name HA  ))
     6 6 0 peak 9672 weight  0.1000E+01 volume 13.00100 ppm1 4.487 ppm2 5.665
ASSI {  9682}
  (( segid "SEGA" and resid 58  and name HA  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 9682 weight  0.1000E+01 volume 8.87370 ppm1 5.660 ppm2 1.402
ASSI {  9692}
  (( segid "SEGA" and resid 37  and name HB  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 9692 weight  0.1000E+01 volume 29.93930 ppm1 2.076 ppm2 1.405
ASSI {  9702}
  (( segid "SEGA" and resid 37  and name HG2#  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 9702 weight  0.1000E+01 volume 112.54890 ppm1 0.961 ppm2 1.415
ASSI {  9712}
  (( segid "SEGA" and resid 62  and name HD2#  ))
  (( segid "SEGA" and resid 35  and name HA  ))
     6 6 0 peak 9712 weight  0.1000E+01 volume 8.11520 ppm1 0.722 ppm2 5.353
ASSI {  9722}
  (( segid "SEGA" and resid 35  and name HB2  ))
  (( segid "SEGA" and resid 35  and name HB1  ))
     6 6 0 peak 9722 weight  0.1000E+01 volume 38.02160 ppm1 2.454 ppm2 3.260
ASSI {  9732}
  (( segid "SEGA" and resid 53  and name HB1  ))
  (( segid "SEGA" and resid 58  and name HA  ))
     6 6 0 peak 9732 weight  0.1000E+01 volume 9.63950 ppm1 3.797 ppm2 5.636
ASSI {  9742}
  (( segid "SEGA" and resid 53  and name HB2  ))
  (( segid "SEGA" and resid 58  and name HA  ))
     6 6 0 peak 9742 weight  0.1000E+01 volume 14.53890 ppm1 3.655 ppm2 5.630
ASSI {  9752}
  (( segid "SEGA" and resid 58  and name HB1  ))
  (( segid "SEGA" and resid 53  and name HA  ))
     6 6 0 peak 9752 weight  0.1000E+01 volume 24.47320 ppm1 3.323 ppm2 5.477
ASSI {  9762}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 58  and name HA  ))
     6 6 0 peak 9762 weight  0.1000E+01 volume 7.84670 ppm1 0.867 ppm2 5.624
ASSI {  9772}
  (( segid "SEGA" and resid 24  and name HZ  ))
  (( segid "SEGA" and resid 5  and name HA  ))
     6 6 0 peak 9772 weight  0.1000E+01 volume 17.70480 ppm1 7.347 ppm2 4.420
ASSI {  9782}
  (( segid "SEGA" and resid 24  and name HZ  ))
  (( segid "SEGA" and resid 5  and name HD2  ))
     6 6 0 peak 9782 weight  0.1000E+01 volume 33.38770 ppm1 7.348 ppm2 3.528
ASSI {  9802}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 99  and name HA  ))
     6 6 0 peak 9802 weight  0.1000E+01 volume 27.20540 ppm1 1.112 ppm2 4.506
ASSI {  9812}
  (( segid "SEGA" and resid 92  and name HA  ))
  (( segid "SEGA" and resid 91  and name HB  ))
     6 6 0 peak 9812 weight  0.1000E+01 volume 17.09660 ppm1 4.711 ppm2 5.125
ASSI {  9822}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 28  and name HB1  ))
     6 6 0 peak 9822 weight  0.1000E+01 volume 33.36380 ppm1 7.488 ppm2 2.273
ASSI {  9832}
  (( segid "SEGA" and resid 25  and name HB2  ))
  (( segid "SEGA" and resid 28  and name HG1  ))
     6 6 0 peak 9832 weight  0.1000E+01 volume 385.37070 ppm1 1.988 ppm2 2.502
ASSI {  9842}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 99  and name HG1  ))
     6 6 0 peak 9842 weight  0.1000E+01 volume 80.52360 ppm1 1.109 ppm2 2.521
ASSI {  9852}
  (( segid "SEGA" and resid 2  and name HA  ))
  (( segid "SEGA" and resid 7  and name HB  ))
     6 6 0 peak 9852 weight  0.1000E+01 volume 15.70600 ppm1 5.461 ppm2 1.737
ASSI {  9862}
  (( segid "SEGA" and resid 19  and name HD1  ))
  (( segid "SEGA" and resid 8  and name HA  ))
     6 6 0 peak 9862 weight  0.1000E+01 volume 12.54700 ppm1 7.313 ppm2 5.135
ASSI {  9872}
  (( segid "SEGA" and resid 9  and name HB1  ))
  (( segid "SEGA" and resid 9  and name HE2  ))
     6 6 0 peak 9872 weight  0.1000E+01 volume 19.20970 ppm1 1.836 ppm2 2.147
ASSI {  9892}
  (( segid "SEGA" and resid 23  and name HA  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 9892 weight  0.1000E+01 volume 11.41520 ppm1 4.917 ppm2 2.130
ASSI {  9902}
  (( segid "SEGA" and resid 19  and name HA  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 9902 weight  0.1000E+01 volume 40.92390 ppm1 5.131 ppm2 2.130
ASSI {  9922}
  (( segid "SEGA" and resid 85  and name HE1  ))
  (( segid "SEGA" and resid 85  and name HA  ))
     6 6 0 peak 9922 weight  0.1000E+01 volume 7.16060 ppm1 3.216 ppm2 3.856
ASSI {  9932}
  (( segid "SEGA" and resid 69  and name HA  ))
  (( segid "SEGA" and resid 69  and name HB2  ))
     6 6 0 peak 9932 weight  0.1000E+01 volume 23.68840 ppm1 4.999 ppm2 2.725
ASSI {  9942}
  (( segid "SEGA" and resid 69  and name HA  ))
  (( segid "SEGA" and resid 69  and name HB1  ))
     6 6 0 peak 9942 weight  0.1000E+01 volume 11.72870 ppm1 4.999 ppm2 2.850
ASSI {  9952}
  (( segid "SEGA" and resid 102  and name HA  ))
  (( segid "SEGA" and resid 101  and name HG2#  ))
     6 6 0 peak 9952 weight  0.1000E+01 volume 22.67370 ppm1 5.121 ppm2 0.702
ASSI {  9962}
  (( segid "SEGA" and resid 97  and name HD1#  ))
  (( segid "SEGA" and resid 96  and name HB#  ))
     6 6 0 peak 9962 weight  0.1000E+01 volume 9.32890 ppm1 1.014 ppm2 1.509
ASSI {  9972}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 58  and name HB1  ))
     6 6 0 peak 9972 weight  0.1000E+01 volume 12.15070 ppm1 -0.354 ppm2 3.263
ASSI {  9982}
  (( segid "SEGA" and resid 51  and name HD2#  ))
  (( segid "SEGA" and resid 58  and name HB1  ))
     6 6 0 peak 9982 weight  0.1000E+01 volume 23.58190 ppm1 0.099 ppm2 3.263
ASSI {  9992}
  (( segid "SEGA" and resid 21  and name HA  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 9992 weight  0.1000E+01 volume 16.18890 ppm1 4.488 ppm2 0.977
ASSI { 10002}
  (( segid "SEGA" and resid 7  and name HD1#  ))
  (( segid "SEGA" and resid 9  and name HE2  ))
     6 6 0 peak 10002 weight  0.1000E+01 volume 58.18980 ppm1 0.921 ppm2 2.154
ASSI { 10012}
  (( segid "SEGA" and resid 9  and name HB2  ))
  (( segid "SEGA" and resid 9  and name HE2  ))
     6 6 0 peak 10012 weight  0.1000E+01 volume 7.57400 ppm1 1.487 ppm2 2.144
ASSI { 10032}
  (( segid "SEGA" and resid 51  and name HD2#  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 10032 weight  0.1000E+01 volume 189.36729 ppm1 0.093 ppm2 -0.356
ASSI { 10042}
  (( segid "SEGA" and resid 25  and name HB1  ))
  (( segid "SEGA" and resid 25  and name HB2  ))
     6 6 0 peak 10042 weight  0.1000E+01 volume 374.79950 ppm1 2.290 ppm2 1.997
ASSI { 10062}
  (( segid "SEGA" and resid 89  and name HG2#  ))
  (( segid "SEGA" and resid 30  and name HB  ))
     6 6 0 peak 10062 weight  0.1000E+01 volume 1.79930 ppm1 0.074 ppm2 1.462
ASSI { 10072}
  (( segid "SEGA" and resid 2  and name HB1  ))
  (( segid "SEGA" and resid 7  and name HA  ))
     6 6 0 peak 10072 weight  0.1000E+01 volume 18.84560 ppm1 3.610 ppm2 4.974
ASSI { 10082}
  (( segid "SEGA" and resid 76  and name HA  ))
  (( segid "SEGA" and resid 91  and name HG2#  ))
     6 6 0 peak 10082 weight  0.1000E+01 volume 37.52790 ppm1 5.054 ppm2 1.116
ASSI { 10092}
  (( segid "SEGA" and resid 35  and name HB1  ))
  (( segid "SEGA" and resid 37  and name HG2#  ))
     6 6 0 peak 10092 weight  0.1000E+01 volume 9.03280 ppm1 3.279 ppm2 0.956
ASSI { 10102}
  (( segid "SEGA" and resid 30  and name HB  ))
  (( segid "SEGA" and resid 89  and name HG2#  ))
     6 6 0 peak 10102 weight  0.1000E+01 volume 49.65650 ppm1 1.449 ppm2 0.073
ASSI { 10112}
  (( segid "SEGA" and resid 43  and name HZ2  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 10112 weight  0.1000E+01 volume 3.60830 ppm1 7.479 ppm2 -0.077
ASSI { 10122}
  (( segid "SEGA" and resid 46  and name HB#  ))
  (( segid "SEGA" and resid 38  and name HD1  ))
     6 6 0 peak 10122 weight  0.1000E+01 volume 2.74200 ppm1 0.048 ppm2 3.567
ASSI { 10142}
  (( segid "SEGA" and resid 90  and name HE1  ))
  (( segid "SEGA" and resid 79  and name HB1  ))
     6 6 0 peak 10142 weight  0.1000E+01 volume 2.65650 ppm1 7.286 ppm2 2.093
ASSI { 10152}
  (( segid "SEGA" and resid 38  and name HG2  ))
  (( segid "SEGA" and resid 38  and name HD2  ))
     6 6 0 peak 10152 weight  0.1000E+01 volume 28.08160 ppm1 1.222 ppm2 3.303
ASSI { 10162}
  (( segid "SEGA" and resid 43  and name HD1  ))
  (( segid "SEGA" and resid 40  and name HB1  ))
     6 6 0 peak 10162 weight  0.1000E+01 volume 4.72170 ppm1 7.565 ppm2 2.907
ASSI { 10172}
  (( segid "SEGA" and resid 39  and name HD2  ))
  (( segid "SEGA" and resid 56  and name HB2  ))
     6 6 0 peak 10172 weight  0.1000E+01 volume 20.02250 ppm1 7.299 ppm2 2.948
ASSI { 10182}
  (( segid "SEGA" and resid 39  and name HD2  ))
  (( segid "SEGA" and resid 56  and name HB1  ))
     6 6 0 peak 10182 weight  0.1000E+01 volume 23.14870 ppm1 7.300 ppm2 3.068
ASSI { 10202}
  (( segid "SEGA" and resid 61  and name HB#  ))
  (( segid "SEGA" and resid 62  and name HD2#  ))
     6 6 0 peak 10202 weight  0.1000E+01 volume 37.89310 ppm1 1.567 ppm2 0.701
ASSI { 10212}
  (( segid "SEGA" and resid 90  and name HE1  ))
  (( segid "SEGA" and resid 79  and name HB2  ))
     6 6 0 peak 10212 weight  0.1000E+01 volume 4.28240 ppm1 7.283 ppm2 1.928
ASSI { 10222}
  (( segid "SEGA" and resid 119  and name HA  ))
  (( segid "SEGA" and resid 119  and name HB1  ))
     6 6 0 peak 10222 weight  0.1000E+01 volume 50.82670 ppm1 4.626 ppm2 2.717
ASSI { 10232}
  (( segid "SEGA" and resid 97  and name HG2#  ))
  (( segid "SEGA" and resid 97  and name HD1#  ))
     6 6 0 peak 10232 weight  0.1000E+01 volume 285.09671 ppm1 0.897 ppm2 1.018
ASSI { 10242}
  (( segid "SEGA" and resid 68  and name HE1  ))
  (( segid "SEGA" and resid 101  and name HD1#  ))
     6 6 0 peak 10242 weight  0.1000E+01 volume 28.92910 ppm1 6.855 ppm2 0.676
ASSI { 10252}
  (( segid "SEGA" and resid 45  and name HG2#  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 10252 weight  0.1000E+01 volume 25.87170 ppm1 1.290 ppm2 0.073
ASSI { 10262}
  (( segid "SEGA" and resid 16  and name HB2  ))
  (( segid "SEGA" and resid 67  and name HG2#  ))
     6 6 0 peak 10262 weight  0.1000E+01 volume 4.84570 ppm1 2.772 ppm2 0.752
ASSI { 10282}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 6  and name HG1#  ))
     6 6 0 peak 10282 weight  0.1000E+01 volume 20.79130 ppm1 7.240 ppm2 0.861
ASSI { 10292}
  (( segid "SEGA" and resid 84  and name HD1#  ))
  (( segid "SEGA" and resid 80  and name HD2#  ))
     6 6 0 peak 10292 weight  0.1000E+01 volume 245.08141 ppm1 0.847 ppm2 0.596
ASSI { 10312}
  (( segid "SEGA" and resid 6  and name HG2#  ))
  (( segid "SEGA" and resid 6  and name HA  ))
     6 6 0 peak 10312 weight  0.1000E+01 volume 21.76930 ppm1 0.471 ppm2 5.662
ASSI { 10322}
  (( segid "SEGA" and resid 24  and name HB1  ))
  (( segid "SEGA" and resid 95  and name HD1#  ))
     6 6 0 peak 10322 weight  0.1000E+01 volume 19.31170 ppm1 3.259 ppm2 0.683
ASSI { 10332}
  (( segid "SEGA" and resid 9  and name HB2  ))
  (( segid "SEGA" and resid 9  and name HD1  ))
     6 6 0 peak 10332 weight  0.1000E+01 volume 103.86910 ppm1 1.517 ppm2 1.218
ASSI { 10342}
  (( segid "SEGA" and resid 113  and name HG1  ))
  (( segid "SEGA" and resid 113  and name HA  ))
     6 6 0 peak 10342 weight  0.1000E+01 volume 86.45060 ppm1 1.604 ppm2 4.600
ASSI { 10362}
  (( segid "SEGA" and resid 30  and name HG2#  ))
  (( segid "SEGA" and resid 91  and name HA  ))
     6 6 0 peak 10362 weight  0.1000E+01 volume 3.18290 ppm1 0.435 ppm2 4.608
ASSI { 10372}
  (( segid "SEGA" and resid 95  and name HD1#  ))
  (( segid "SEGA" and resid 91  and name HA  ))
     6 6 0 peak 10372 weight  0.1000E+01 volume 7.68860 ppm1 0.686 ppm2 4.609
ASSI { 10382}
  (( segid "SEGA" and resid 45  and name HG2#  ))
  (( segid "SEGA" and resid 45  and name HB  ))
     6 6 0 peak 10382 weight  0.1000E+01 volume 255.33020 ppm1 1.291 ppm2 4.315
ASSI { 10392}
  (( segid "SEGA" and resid 48  and name HG2  ))
  (( segid "SEGA" and resid 45  and name HB  ))
     6 6 0 peak 10392 weight  0.1000E+01 volume 3.12350 ppm1 2.287 ppm2 4.314
ASSI { 10402}
  (( segid "SEGA" and resid 48  and name HB1  ))
  (( segid "SEGA" and resid 45  and name HB  ))
     6 6 0 peak 10402 weight  0.1000E+01 volume 7.27520 ppm1 2.130 ppm2 4.310
ASSI { 10412}
  (( segid "SEGA" and resid 86  and name HD2  ))
  (( segid "SEGA" and resid 81  and name HG2#  ))
     6 6 0 peak 10412 weight  0.1000E+01 volume 29.43800 ppm1 3.213 ppm2 1.261
ASSI { 10422}
  (( segid "SEGA" and resid 86  and name HD1  ))
  (( segid "SEGA" and resid 81  and name HG2#  ))
     6 6 0 peak 10422 weight  0.1000E+01 volume 11.17040 ppm1 3.089 ppm2 1.255
ASSI { 10432}
  (( segid "SEGA" and resid 79  and name HG1  ))
  (( segid "SEGA" and resid 81  and name HG2#  ))
     6 6 0 peak 10432 weight  0.1000E+01 volume 23.04870 ppm1 2.121 ppm2 1.263
ASSI { 10442}
  (( segid "SEGA" and resid 86  and name HA  ))
  (( segid "SEGA" and resid 81  and name HG2#  ))
     6 6 0 peak 10442 weight  0.1000E+01 volume 31.52070 ppm1 5.186 ppm2 1.251
ASSI { 10452}
  (( segid "SEGA" and resid 80  and name HA  ))
  (( segid "SEGA" and resid 81  and name HG2#  ))
     6 6 0 peak 10452 weight  0.1000E+01 volume 10.28270 ppm1 5.336 ppm2 1.249
ASSI { 10462}
  (( segid "SEGA" and resid 101  and name HG2#  ))
  (( segid "SEGA" and resid 101  and name HB  ))
     6 6 0 peak 10462 weight  0.1000E+01 volume 89.61910 ppm1 0.674 ppm2 1.787
ASSI { 10472}
  (( segid "SEGA" and resid 18  and name HG1#  ))
  (( segid "SEGA" and resid 101  and name HB  ))
     6 6 0 peak 10472 weight  0.1000E+01 volume 15.77910 ppm1 0.468 ppm2 1.785
ASSI { 10482}
  (( segid "SEGA" and resid 68  and name HE1  ))
  (( segid "SEGA" and resid 101  and name HB  ))
     6 6 0 peak 10482 weight  0.1000E+01 volume 7.77600 ppm1 6.855 ppm2 1.787
ASSI { 10492}
  (( segid "SEGA" and resid 78  and name HB2  ))
  (( segid "SEGA" and resid 103  and name HD1#  ))
     6 6 0 peak 10492 weight  0.1000E+01 volume 1.68490 ppm1 2.619 ppm2 0.460
ASSI { 10502}
  (( segid "SEGA" and resid 68  and name HB1  ))
  (( segid "SEGA" and resid 103  and name HD1#  ))
     6 6 0 peak 10502 weight  0.1000E+01 volume 8.15490 ppm1 2.871 ppm2 0.457
ASSI { 10512}
  (( segid "SEGA" and resid 103  and name HB  ))
  (( segid "SEGA" and resid 103  and name HD1#  ))
     6 6 0 peak 10512 weight  0.1000E+01 volume 11.77910 ppm1 2.098 ppm2 0.460
ASSI { 10522}
  (( segid "SEGA" and resid 103  and name HA  ))
  (( segid "SEGA" and resid 103  and name HD1#  ))
     6 6 0 peak 10522 weight  0.1000E+01 volume 11.79850 ppm1 5.090 ppm2 0.450
ASSI { 10562}
  (( segid "SEGA" and resid 97  and name HA  ))
  (( segid "SEGA" and resid 23  and name HA  ))
     6 6 0 peak 10562 weight  0.1000E+01 volume 24.22230 ppm1 3.251 ppm2 4.920
ASSI { 10572}
  (( segid "SEGA" and resid 113  and name HB1  ))
  (( segid "SEGA" and resid 113  and name HA  ))
     6 6 0 peak 10572 weight  0.1000E+01 volume 208.02361 ppm1 1.828 ppm2 4.595
ASSI { 10582}
  (( segid "SEGA" and resid 89  and name HD1#  ))
  (( segid "SEGA" and resid 65  and name HA1  ))
     6 6 0 peak 10582 weight  0.1000E+01 volume 1.72270 ppm1 0.394 ppm2 4.267
ASSI { 10592}
  (( segid "SEGA" and resid 61  and name HB#  ))
  (( segid "SEGA" and resid 65  and name HA2  ))
     6 6 0 peak 10592 weight  0.1000E+01 volume 5.99340 ppm1 1.580 ppm2 3.845
ASSI { 10602}
  (( segid "SEGA" and resid 97  and name HG2#  ))
  (( segid "SEGA" and resid 98  and name HA1  ))
     6 6 0 peak 10602 weight  0.1000E+01 volume 7.29040 ppm1 0.893 ppm2 4.501
ASSI { 10612}
  (( segid "SEGA" and resid 27  and name HA1  ))
  (( segid "SEGA" and resid 27  and name HA2  ))
     6 6 0 peak 10612 weight  0.1000E+01 volume 52.56170 ppm1 4.263 ppm2 3.840
ASSI { 10622}
  (( segid "SEGA" and resid 26  and name HB1  ))
  (( segid "SEGA" and resid 93  and name HA  ))
     6 6 0 peak 10622 weight  0.1000E+01 volume 118.18560 ppm1 1.764 ppm2 4.689
ASSI { 10632}
  (( segid "SEGA" and resid 94  and name HD1  ))
  (( segid "SEGA" and resid 93  and name HA  ))
     6 6 0 peak 10632 weight  0.1000E+01 volume 146.72591 ppm1 3.770 ppm2 4.690
ASSI { 10642}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 20  and name HA  ))
     6 6 0 peak 10642 weight  0.1000E+01 volume 10.75300 ppm1 7.276 ppm2 4.694
ASSI { 10652}
  (( segid "SEGA" and resid 101  and name HD1#  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 10652 weight  0.1000E+01 volume 219.21651 ppm1 0.676 ppm2 2.131
ASSI { 10662}
  (( segid "SEGA" and resid 97  and name HA  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 10662 weight  0.1000E+01 volume 104.06000 ppm1 3.248 ppm2 2.134
ASSI { 10672}
  (( segid "SEGA" and resid 95  and name HA  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 10672 weight  0.1000E+01 volume 10.58440 ppm1 4.416 ppm2 2.134
ASSI { 10682}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 10682 weight  0.1000E+01 volume 142.95920 ppm1 7.487 ppm2 2.130
ASSI { 10692}
  (( segid "SEGA" and resid 38  and name HG2  ))
  (( segid "SEGA" and resid 46  and name HA  ))
     6 6 0 peak 10692 weight  0.1000E+01 volume 11.27750 ppm1 1.220 ppm2 3.549
ASSI { 10702}
  (( segid "SEGA" and resid 47  and name HD1#  ))
  (( segid "SEGA" and resid 46  and name HA  ))
     6 6 0 peak 10702 weight  0.1000E+01 volume 21.21120 ppm1 1.440 ppm2 3.547
ASSI { 10722}
  (( segid "SEGA" and resid 49  and name HB1  ))
  (( segid "SEGA" and resid 46  and name HA  ))
     6 6 0 peak 10722 weight  0.1000E+01 volume 12.16620 ppm1 2.377 ppm2 3.549
ASSI { 10732}
  (( segid "SEGA" and resid 43  and name HZ3  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 10732 weight  0.1000E+01 volume 5.14240 ppm1 7.000 ppm2 -0.079
ASSI { 10742}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 59  and name HA  ))
     6 6 0 peak 10742 weight  0.1000E+01 volume 6.03840 ppm1 0.879 ppm2 5.733
ASSI { 10762}
  (( segid "SEGA" and resid 35  and name HB2  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 10762 weight  0.1000E+01 volume 20.55770 ppm1 2.445 ppm2 1.400
ASSI { 10772}
  (( segid "SEGA" and resid 35  and name HB1  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 10772 weight  0.1000E+01 volume 34.62120 ppm1 3.272 ppm2 1.402
ASSI { 10782}
  (( segid "SEGA" and resid 35  and name HA  ))
  (( segid "SEGA" and resid 59  and name HB#  ))
     6 6 0 peak 10782 weight  0.1000E+01 volume 12.58260 ppm1 5.362 ppm2 1.402
ASSI { 10792}
  (( segid "SEGA" and resid 35  and name HB2  ))
  (( segid "SEGA" and resid 61  and name HA  ))
     6 6 0 peak 10792 weight  0.1000E+01 volume 2.99370 ppm1 2.450 ppm2 4.753
ASSI { 10802}
  (( segid "SEGA" and resid 65  and name HA2  ))
  (( segid "SEGA" and resid 61  and name HB#  ))
     6 6 0 peak 10802 weight  0.1000E+01 volume 20.58510 ppm1 3.835 ppm2 1.550
ASSI { 10822}
  (( segid "SEGA" and resid 101  and name HG2#  ))
  (( segid "SEGA" and resid 76  and name HB#  ))
     6 6 0 peak 10822 weight  0.1000E+01 volume 320.38660 ppm1 0.695 ppm2 0.991
ASSI { 10832}
  (( segid "SEGA" and resid 28  and name HG1  ))
  (( segid "SEGA" and resid 96  and name HB#  ))
     6 6 0 peak 10832 weight  0.1000E+01 volume 84.86080 ppm1 2.513 ppm2 1.520
ASSI { 10842}
  (( segid "SEGA" and resid 23  and name HB1  ))
  (( segid "SEGA" and resid 96  and name HB#  ))
     6 6 0 peak 10842 weight  0.1000E+01 volume 15.87570 ppm1 4.027 ppm2 1.519
ASSI { 10862}
  (( segid "SEGA" and resid 97  and name HG2#  ))
  (( segid "SEGA" and resid 23  and name HB1  ))
     6 6 0 peak 10862 weight  0.1000E+01 volume 19.47730 ppm1 0.897 ppm2 4.021
ASSI { 10902}
  (( segid "SEGA" and resid 102  and name HG2#  ))
  (( segid "SEGA" and resid 71  and name HB1  ))
     6 6 0 peak 10902 weight  0.1000E+01 volume 23.47400 ppm1 0.878 ppm2 3.840
ASSI { 10912}
  (( segid "SEGA" and resid 102  and name HB  ))
  (( segid "SEGA" and resid 71  and name HB2  ))
     6 6 0 peak 10912 weight  0.1000E+01 volume 13.50080 ppm1 3.924 ppm2 3.174
ASSI { 10922}
  (( segid "SEGA" and resid 102  and name HG2#  ))
  (( segid "SEGA" and resid 71  and name HB2  ))
     6 6 0 peak 10922 weight  0.1000E+01 volume 4.83980 ppm1 0.887 ppm2 3.165
ASSI { 10932}
  (( segid "SEGA" and resid 102  and name HA  ))
  (( segid "SEGA" and resid 71  and name HB2  ))
     6 6 0 peak 10932 weight  0.1000E+01 volume 3.14460 ppm1 5.115 ppm2 3.170
ASSI { 10942}
  (( segid "SEGA" and resid 103  and name HA  ))
  (( segid "SEGA" and resid 104  and name HB2  ))
     6 6 0 peak 10942 weight  0.1000E+01 volume 4.99100 ppm1 5.098 ppm2 4.148
ASSI { 10952}
  (( segid "SEGA" and resid 111  and name HD1#  ))
  (( segid "SEGA" and resid 112  and name HB1  ))
     6 6 0 peak 10952 weight  0.1000E+01 volume 25.16010 ppm1 0.907 ppm2 3.893
ASSI { 10962}
  (( segid "SEGA" and resid 19  and name HZ  ))
  (( segid "SEGA" and resid 11  and name HB1  ))
     6 6 0 peak 10962 weight  0.1000E+01 volume 54.98750 ppm1 7.253 ppm2 3.801
ASSI { 10972}
  (( segid "SEGA" and resid 63  and name HA1  ))
  (( segid "SEGA" and resid 33  and name HB1  ))
     6 6 0 peak 10972 weight  0.1000E+01 volume 21.54820 ppm1 3.798 ppm2 3.217
ASSI { 10982}
  (( segid "SEGA" and resid 59  and name HB#  ))
  (( segid "SEGA" and resid 35  and name HA  ))
     6 6 0 peak 10982 weight  0.1000E+01 volume 5.11250 ppm1 1.405 ppm2 5.364
ASSI { 11002}
  (( segid "SEGA" and resid 59  and name HB#  ))
  (( segid "SEGA" and resid 35  and name HB2  ))
     6 6 0 peak 11002 weight  0.1000E+01 volume 6.03540 ppm1 1.392 ppm2 2.441
ASSI { 11012}
  (( segid "SEGA" and resid 4  and name HB2  ))
  (( segid "SEGA" and resid 4  and name HA  ))
     6 6 0 peak 11012 weight  0.1000E+01 volume 220.60350 ppm1 2.960 ppm2 4.650
ASSI { 11022}
  (( segid "SEGA" and resid 4  and name HB1  ))
  (( segid "SEGA" and resid 4  and name HA  ))
     6 6 0 peak 11022 weight  0.1000E+01 volume 19.46060 ppm1 3.444 ppm2 4.651
ASSI { 11032}
  (( segid "SEGA" and resid 4  and name HA  ))
  (( segid "SEGA" and resid 4  and name HB2  ))
     6 6 0 peak 11032 weight  0.1000E+01 volume 220.68600 ppm1 4.649 ppm2 2.954
ASSI { 11042}
  (( segid "SEGA" and resid 49  and name HB2  ))
  (( segid "SEGA" and resid 49  and name HA  ))
     6 6 0 peak 11042 weight  0.1000E+01 volume 103.56930 ppm1 2.067 ppm2 4.420
ASSI { 11052}
  (( segid "SEGA" and resid 50  and name HE1  ))
  (( segid "SEGA" and resid 49  and name HB1  ))
     6 6 0 peak 11052 weight  0.1000E+01 volume 4.96650 ppm1 6.942 ppm2 2.380
ASSI { 11062}
  (( segid "SEGA" and resid 73  and name HB1  ))
  (( segid "SEGA" and resid 73  and name HA  ))
     6 6 0 peak 11062 weight  0.1000E+01 volume 14.36390 ppm1 2.719 ppm2 5.104
ASSI { 11072}
  (( segid "SEGA" and resid 73  and name HB2  ))
  (( segid "SEGA" and resid 73  and name HA  ))
     6 6 0 peak 11072 weight  0.1000E+01 volume 27.83020 ppm1 2.398 ppm2 5.101
ASSI { 11092}
  (( segid "SEGA" and resid 74  and name HD2  ))
  (( segid "SEGA" and resid 73  and name HA  ))
     6 6 0 peak 11092 weight  0.1000E+01 volume 17.08700 ppm1 3.401 ppm2 5.100
ASSI { 11102}
  (( segid "SEGA" and resid 74  and name HD1  ))
  (( segid "SEGA" and resid 73  and name HA  ))
     6 6 0 peak 11102 weight  0.1000E+01 volume 33.26530 ppm1 3.660 ppm2 5.100
ASSI { 11112}
  (( segid "SEGA" and resid 73  and name HA  ))
  (( segid "SEGA" and resid 73  and name HB1  ))
     6 6 0 peak 11112 weight  0.1000E+01 volume 4.70970 ppm1 5.103 ppm2 2.722
ASSI { 11122}
  (( segid "SEGA" and resid 73  and name HA  ))
  (( segid "SEGA" and resid 73  and name HB2  ))
     6 6 0 peak 11122 weight  0.1000E+01 volume 72.84000 ppm1 5.098 ppm2 2.398
ASSI { 11132}
  (( segid "SEGA" and resid 73  and name HB1  ))
  (( segid "SEGA" and resid 73  and name HB2  ))
     6 6 0 peak 11132 weight  0.1000E+01 volume 291.97281 ppm1 2.723 ppm2 2.393
ASSI { 11142}
  (( segid "SEGA" and resid 3  and name HB1  ))
  (( segid "SEGA" and resid 3  and name HA  ))
     6 6 0 peak 11142 weight  0.1000E+01 volume 74.07920 ppm1 3.790 ppm2 5.162
ASSI { 11152}
  (( segid "SEGA" and resid 3  and name HB2  ))
  (( segid "SEGA" and resid 3  and name HA  ))
     6 6 0 peak 11152 weight  0.1000E+01 volume 124.43590 ppm1 3.465 ppm2 5.160
ASSI { 11162}
  (( segid "SEGA" and resid 2  and name HD1  ))
  (( segid "SEGA" and resid 3  and name HA  ))
     6 6 0 peak 11162 weight  0.1000E+01 volume 26.05470 ppm1 7.236 ppm2 5.154
ASSI { 11172}
  (( segid "SEGA" and resid 3  and name HA  ))
  (( segid "SEGA" and resid 3  and name HB1  ))
     6 6 0 peak 11172 weight  0.1000E+01 volume 49.81740 ppm1 5.164 ppm2 3.784
ASSI { 11182}
  (( segid "SEGA" and resid 3  and name HA  ))
  (( segid "SEGA" and resid 3  and name HB2  ))
     6 6 0 peak 11182 weight  0.1000E+01 volume 21.50640 ppm1 5.164 ppm2 3.473
ASSI { 11192}
  (( segid "SEGA" and resid 3  and name HB2  ))
  (( segid "SEGA" and resid 3  and name HB1  ))
     6 6 0 peak 11192 weight  0.1000E+01 volume 37.20630 ppm1 3.466 ppm2 3.797
ASSI { 11202}
  (( segid "SEGA" and resid 3  and name HB1  ))
  (( segid "SEGA" and resid 3  and name HB2  ))
     6 6 0 peak 11202 weight  0.1000E+01 volume 52.40260 ppm1 3.792 ppm2 3.463
ASSI { 11232}
  (( segid "SEGA" and resid 105  and name HD1  ))
  (( segid "SEGA" and resid 69  and name HA  ))
     6 6 0 peak 11232 weight  0.1000E+01 volume 2.81380 ppm1 6.938 ppm2 4.990
ASSI { 11242}
  (( segid "SEGA" and resid 99  and name HA  ))
  (( segid "SEGA" and resid 99  and name HB1  ))
     6 6 0 peak 11242 weight  0.1000E+01 volume 131.39880 ppm1 4.490 ppm2 2.290
ASSI { 11252}
  (( segid "SEGA" and resid 24  and name HA  ))
  (( segid "SEGA" and resid 28  and name HB1  ))
     6 6 0 peak 11252 weight  0.1000E+01 volume 27.13470 ppm1 5.053 ppm2 2.267
ASSI { 11262}
  (( segid "SEGA" and resid 24  and name HB1  ))
  (( segid "SEGA" and resid 28  and name HB1  ))
     6 6 0 peak 11262 weight  0.1000E+01 volume 25.67400 ppm1 3.270 ppm2 2.262
ASSI { 11272}
  (( segid "SEGA" and resid 30  and name HG2#  ))
  (( segid "SEGA" and resid 28  and name HB1  ))
     6 6 0 peak 11272 weight  0.1000E+01 volume 6.04800 ppm1 0.448 ppm2 2.272
ASSI { 11282}
  (( segid "SEGA" and resid 96  and name HB#  ))
  (( segid "SEGA" and resid 99  and name HG2  ))
     6 6 0 peak 11282 weight  0.1000E+01 volume 49.92890 ppm1 1.520 ppm2 2.361
ASSI { 11292}
  (( segid "SEGA" and resid 96  and name HB#  ))
  (( segid "SEGA" and resid 99  and name HG1  ))
     6 6 0 peak 11292 weight  0.1000E+01 volume 84.06780 ppm1 1.518 ppm2 2.517
ASSI { 11302}
  (( segid "SEGA" and resid 95  and name HD1#  ))
  (( segid "SEGA" and resid 99  and name HG2  ))
     6 6 0 peak 11302 weight  0.1000E+01 volume 6.97660 ppm1 0.681 ppm2 2.358
ASSI { 11312}
  (( segid "SEGA" and resid 95  and name HD1#  ))
  (( segid "SEGA" and resid 99  and name HG1  ))
     6 6 0 peak 11312 weight  0.1000E+01 volume 6.54390 ppm1 0.683 ppm2 2.518
ASSI { 11332}
  (( segid "SEGA" and resid 31  and name HG1  ))
  (( segid "SEGA" and resid 31  and name HA  ))
     6 6 0 peak 11332 weight  0.1000E+01 volume 14.18040 ppm1 2.349 ppm2 5.101
ASSI { 11342}
  (( segid "SEGA" and resid 31  and name HB1  ))
  (( segid "SEGA" and resid 31  and name HA  ))
     6 6 0 peak 11342 weight  0.1000E+01 volume 41.01000 ppm1 2.203 ppm2 5.101
ASSI { 11362}
  (( segid "SEGA" and resid 85  and name HG2  ))
  (( segid "SEGA" and resid 85  and name HD1  ))
     6 6 0 peak 11362 weight  0.1000E+01 volume 102.51250 ppm1 1.567 ppm2 2.110
ASSI { 11372}
  (( segid "SEGA" and resid 51  and name HD2#  ))
  (( segid "SEGA" and resid 48  and name HB2  ))
     6 6 0 peak 11372 weight  0.1000E+01 volume 3.96680 ppm1 0.090 ppm2 1.985
ASSI { 11382}
  (( segid "SEGA" and resid 51  and name HD2#  ))
  (( segid "SEGA" and resid 48  and name HB1  ))
     6 6 0 peak 11382 weight  0.1000E+01 volume 2.95140 ppm1 0.090 ppm2 2.110
ASSI { 11392}
  (( segid "SEGA" and resid 45  and name HG2#  ))
  (( segid "SEGA" and resid 48  and name HG1  ))
     6 6 0 peak 11392 weight  0.1000E+01 volume 6.56430 ppm1 1.282 ppm2 2.370
ASSI { 11402}
  (( segid "SEGA" and resid 45  and name HG2#  ))
  (( segid "SEGA" and resid 48  and name HG2  ))
     6 6 0 peak 11402 weight  0.1000E+01 volume 25.61870 ppm1 1.284 ppm2 2.314
ASSI { 11412}
  (( segid "SEGA" and resid 90  and name HD1  ))
  (( segid "SEGA" and resid 79  and name HG1  ))
     6 6 0 peak 11412 weight  0.1000E+01 volume 27.69090 ppm1 6.864 ppm2 2.203
ASSI { 11422}
  (( segid "SEGA" and resid 80  and name HA  ))
  (( segid "SEGA" and resid 79  and name HG1  ))
     6 6 0 peak 11422 weight  0.1000E+01 volume 23.64400 ppm1 5.368 ppm2 2.126
ASSI { 11432}
  (( segid "SEGA" and resid 88  and name HD1  ))
  (( segid "SEGA" and resid 79  and name HG1  ))
     6 6 0 peak 11432 weight  0.1000E+01 volume 22.51770 ppm1 3.208 ppm2 2.124
ASSI { 11442}
  (( segid "SEGA" and resid 99  and name HB1  ))
  (( segid "SEGA" and resid 99  and name HA  ))
     6 6 0 peak 11442 weight  0.1000E+01 volume 146.81841 ppm1 2.296 ppm2 4.508
ASSI { 11452}
  (( segid "SEGA" and resid 28  and name HA  ))
  (( segid "SEGA" and resid 28  and name HG2  ))
     6 6 0 peak 11452 weight  0.1000E+01 volume 118.03620 ppm1 4.534 ppm2 2.594
ASSI { 11462}
  (( segid "SEGA" and resid 42  and name HA  ))
  (( segid "SEGA" and resid 45  and name HB  ))
     6 6 0 peak 11462 weight  0.1000E+01 volume 36.81990 ppm1 4.659 ppm2 4.314
ASSI { 11472}
  (( segid "SEGA" and resid 86  and name HG2  ))
  (( segid "SEGA" and resid 81  and name HG2#  ))
     6 6 0 peak 11472 weight  0.1000E+01 volume 126.82270 ppm1 1.623 ppm2 1.266
ASSI { 11482}
  (( segid "SEGA" and resid 26  and name HA  ))
  (( segid "SEGA" and resid 91  and name HB  ))
     6 6 0 peak 11482 weight  0.1000E+01 volume 4.35470 ppm1 3.630 ppm2 5.126
ASSI { 11502}
  (( segid "SEGA" and resid 95  and name HD1#  ))
  (( segid "SEGA" and resid 91  and name HB  ))
     6 6 0 peak 11502 weight  0.1000E+01 volume 8.87280 ppm1 0.687 ppm2 5.131
ASSI { 11512}
  (( segid "SEGA" and resid 24  and name HB1  ))
  (( segid "SEGA" and resid 91  and name HG2#  ))
     6 6 0 peak 11512 weight  0.1000E+01 volume 33.63130 ppm1 3.266 ppm2 1.116
ASSI { 11522}
  (( segid "SEGA" and resid 24  and name HB2  ))
  (( segid "SEGA" and resid 91  and name HG2#  ))
     6 6 0 peak 11522 weight  0.1000E+01 volume 75.16550 ppm1 2.910 ppm2 1.109
ASSI { 11532}
  (( segid "SEGA" and resid 30  and name HG2#  ))
  (( segid "SEGA" and resid 91  and name HG2#  ))
     6 6 0 peak 11532 weight  0.1000E+01 volume 154.56731 ppm1 0.440 ppm2 1.114
ASSI { 11552}
  (( segid "SEGA" and resid 71  and name HB2  ))
  (( segid "SEGA" and resid 102  and name HB  ))
     6 6 0 peak 11552 weight  0.1000E+01 volume 8.61880 ppm1 3.168 ppm2 3.909
ASSI { 11562}
  (( segid "SEGA" and resid 103  and name HN  ))
  (( segid "SEGA" and resid 102  and name HB  ))
     6 6 0 peak 11562 weight  0.1000E+01 volume 14.38450 ppm1 7.999 ppm2 3.917
ASSI { 11572}
  (( segid "SEGA" and resid 71  and name HB1  ))
  (( segid "SEGA" and resid 102  and name HG2#  ))
     6 6 0 peak 11572 weight  0.1000E+01 volume 45.76750 ppm1 3.832 ppm2 0.873
ASSI { 11582}
  (( segid "SEGA" and resid 71  and name HB2  ))
  (( segid "SEGA" and resid 102  and name HG2#  ))
     6 6 0 peak 11582 weight  0.1000E+01 volume 9.00810 ppm1 3.171 ppm2 0.873
ASSI { 11592}
  (( segid "SEGA" and resid 69  and name HB2  ))
  (( segid "SEGA" and resid 102  and name HG2#  ))
     6 6 0 peak 11592 weight  0.1000E+01 volume 11.94950 ppm1 2.728 ppm2 0.870
ASSI { 11602}
  (( segid "SEGA" and resid 39  and name HD2  ))
  (( segid "SEGA" and resid 57  and name HA  ))
     6 6 0 peak 11602 weight  0.1000E+01 volume 7.80960 ppm1 7.296 ppm2 4.997
ASSI { 11612}
  (( segid "SEGA" and resid 37  and name HG1#  ))
  (( segid "SEGA" and resid 38  and name HA  ))
     6 6 0 peak 11612 weight  0.1000E+01 volume 11.05640 ppm1 1.095 ppm2 4.977
ASSI { 11622}
  (( segid "SEGA" and resid 37  and name HG1#  ))
  (( segid "SEGA" and resid 57  and name HG1  ))
     6 6 0 peak 11622 weight  0.1000E+01 volume 17.53990 ppm1 1.095 ppm2 2.734
ASSI { 11632}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 57  and name HG1  ))
     6 6 0 peak 11632 weight  0.1000E+01 volume 27.47890 ppm1 0.873 ppm2 2.737
ASSI { 11652}
  (( segid "SEGA" and resid 37  and name HG1#  ))
  (( segid "SEGA" and resid 57  and name HG2  ))
     6 6 0 peak 11652 weight  0.1000E+01 volume 18.64100 ppm1 1.098 ppm2 2.519
ASSI { 11662}
  (( segid "SEGA" and resid 84  and name HG  ))
  (( segid "SEGA" and resid 57  and name HE#  ))
     6 6 0 peak 11662 weight  0.1000E+01 volume 4.19800 ppm1 1.544 ppm2 2.103
ASSI { 11672}
  (( segid "SEGA" and resid 37  and name HG1#  ))
  (( segid "SEGA" and resid 57  and name HE#  ))
     6 6 0 peak 11672 weight  0.1000E+01 volume 127.50260 ppm1 1.098 ppm2 2.113
ASSI { 11682}
  (( segid "SEGA" and resid 32  and name HB1  ))
  (( segid "SEGA" and resid 32  and name HA  ))
     6 6 0 peak 11682 weight  0.1000E+01 volume 41.22700 ppm1 2.027 ppm2 5.370
ASSI { 11692}
  (( segid "SEGA" and resid 78  and name HB1  ))
  (( segid "SEGA" and resid 87  and name HE#  ))
     6 6 0 peak 11692 weight  0.1000E+01 volume 19.14610 ppm1 2.853 ppm2 1.610
ASSI { 11702}
  (( segid "SEGA" and resid 78  and name HB2  ))
  (( segid "SEGA" and resid 87  and name HE#  ))
     6 6 0 peak 11702 weight  0.1000E+01 volume 30.93550 ppm1 2.618 ppm2 1.612
ASSI { 11712}
  (( segid "SEGA" and resid 89  and name HD1#  ))
  (( segid "SEGA" and resid 87  and name HE#  ))
     6 6 0 peak 11712 weight  0.1000E+01 volume 84.77360 ppm1 0.400 ppm2 1.604
ASSI { 11722}
  (( segid "SEGA" and resid 2  and name HD1  ))
  (( segid "SEGA" and resid 1  and name HA  ))
     6 6 0 peak 11722 weight  0.1000E+01 volume 9.13300 ppm1 7.230 ppm2 3.911
ASSI { 11732}
  (( segid "SEGA" and resid 32  and name HA  ))
  (( segid "SEGA" and resid 32  and name HB1  ))
     6 6 0 peak 11732 weight  0.1000E+01 volume 30.46250 ppm1 5.368 ppm2 2.020
ASSI { 11742}
  (( segid "SEGA" and resid 8  and name HA  ))
  (( segid "SEGA" and resid 8  and name HB  ))
     6 6 0 peak 11742 weight  0.1000E+01 volume 18.17250 ppm1 5.133 ppm2 2.080
ASSI { 11752}
  (( segid "SEGA" and resid 1  and name HA  ))
  (( segid "SEGA" and resid 1  and name HB1  ))
     6 6 0 peak 11752 weight  0.1000E+01 volume 22.20520 ppm1 3.916 ppm2 2.516
ASSI { 11762}
  (( segid "SEGA" and resid 1  and name HG1  ))
  (( segid "SEGA" and resid 1  and name HB1  ))
     6 6 0 peak 11762 weight  0.1000E+01 volume 41.30770 ppm1 2.769 ppm2 2.514
ASSI { 11772}
  (( segid "SEGA" and resid 1  and name HE#  ))
  (( segid "SEGA" and resid 1  and name HB1  ))
     6 6 0 peak 11772 weight  0.1000E+01 volume 37.01740 ppm1 1.726 ppm2 2.512
ASSI { 11782}
  (( segid "SEGA" and resid 8  and name HG1#  ))
  (( segid "SEGA" and resid 1  and name HB1  ))
     6 6 0 peak 11782 weight  0.1000E+01 volume 5.46480 ppm1 0.960 ppm2 2.509
ASSI { 11792}
  (( segid "SEGA" and resid 37  and name HG1#  ))
  (( segid "SEGA" and resid 57  and name HB2  ))
     6 6 0 peak 11792 weight  0.1000E+01 volume 30.53470 ppm1 1.098 ppm2 1.808
ASSI { 11802}
  (( segid "SEGA" and resid 24  and name HZ  ))
  (( segid "SEGA" and resid 6  and name HA  ))
     6 6 0 peak 11802 weight  0.1000E+01 volume 2.05260 ppm1 7.337 ppm2 5.661
ASSI { 11812}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 6  and name HG1#  ))
     6 6 0 peak 11812 weight  0.1000E+01 volume 41.07460 ppm1 7.491 ppm2 0.861
ASSI { 11832}
  (( segid "SEGA" and resid 64  and name HE1  ))
  (( segid "SEGA" and resid 6  and name HG2#  ))
     6 6 0 peak 11832 weight  0.1000E+01 volume 26.19760 ppm1 7.221 ppm2 0.461
ASSI { 11842}
  (( segid "SEGA" and resid 64  and name HD1  ))
  (( segid "SEGA" and resid 6  and name HG2#  ))
     6 6 0 peak 11842 weight  0.1000E+01 volume 17.60640 ppm1 7.015 ppm2 0.461
ASSI { 11852}
  (( segid "SEGA" and resid 9  and name HA  ))
  (( segid "SEGA" and resid 8  and name HG1#  ))
     6 6 0 peak 11852 weight  0.1000E+01 volume 35.30230 ppm1 4.897 ppm2 0.966
ASSI { 11872}
  (( segid "SEGA" and resid 43  and name HH2  ))
  (( segid "SEGA" and resid 37  and name HG2#  ))
     6 6 0 peak 11872 weight  0.1000E+01 volume 23.40840 ppm1 6.919 ppm2 0.964
ASSI { 11882}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 18  and name HG1#  ))
     6 6 0 peak 11882 weight  0.1000E+01 volume 37.32540 ppm1 7.246 ppm2 0.466
ASSI { 11892}
  (( segid "SEGA" and resid 101  and name HB  ))
  (( segid "SEGA" and resid 18  and name HG1#  ))
     6 6 0 peak 11892 weight  0.1000E+01 volume 53.97840 ppm1 1.793 ppm2 0.469
ASSI { 11912}
  (( segid "SEGA" and resid 8  and name HG1#  ))
  (( segid "SEGA" and resid 18  and name HA  ))
     6 6 0 peak 11912 weight  0.1000E+01 volume 18.94410 ppm1 0.965 ppm2 4.242
ASSI { 11932}
  (( segid "SEGA" and resid 68  and name HD1  ))
  (( segid "SEGA" and resid 18  and name HG2#  ))
     6 6 0 peak 11932 weight  0.1000E+01 volume 2.70050 ppm1 7.551 ppm2 -0.214
ASSI { 11942}
  (( segid "SEGA" and resid 64  and name HD1  ))
  (( segid "SEGA" and resid 18  and name HG2#  ))
     6 6 0 peak 11942 weight  0.1000E+01 volume 2.77590 ppm1 7.021 ppm2 -0.211
ASSI { 11952}
  (( segid "SEGA" and resid 67  and name HA  ))
  (( segid "SEGA" and resid 18  and name HG2#  ))
     6 6 0 peak 11952 weight  0.1000E+01 volume 1.61080 ppm1 3.866 ppm2 -0.210
ASSI { 11972}
  (( segid "SEGA" and resid 67  and name HG11  ))
  (( segid "SEGA" and resid 18  and name HG2#  ))
     6 6 0 peak 11972 weight  0.1000E+01 volume 33.23290 ppm1 1.564 ppm2 -0.211
ASSI { 11982}
  (( segid "SEGA" and resid 67  and name HD1#  ))
  (( segid "SEGA" and resid 18  and name HG2#  ))
     6 6 0 peak 11982 weight  0.1000E+01 volume 31.67680 ppm1 0.896 ppm2 -0.211
ASSI { 11992}
  (( segid "SEGA" and resid 67  and name HG2#  ))
  (( segid "SEGA" and resid 18  and name HG2#  ))
     6 6 0 peak 11992 weight  0.1000E+01 volume 37.14200 ppm1 0.765 ppm2 -0.208
ASSI { 12002}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 30  and name HA  ))
     6 6 0 peak 12002 weight  0.1000E+01 volume 50.40790 ppm1 7.264 ppm2 3.971
ASSI { 12012}
  (( segid "SEGA" and resid 101  and name HD1#  ))
  (( segid "SEGA" and resid 30  and name HG1#  ))
     6 6 0 peak 12012 weight  0.1000E+01 volume 456.15649 ppm1 0.684 ppm2 0.800
ASSI { 12022}
  (( segid "SEGA" and resid 91  and name HG2#  ))
  (( segid "SEGA" and resid 30  and name HG2#  ))
     6 6 0 peak 12022 weight  0.1000E+01 volume 260.17111 ppm1 1.114 ppm2 0.438
ASSI { 12042}
  (( segid "SEGA" and resid 57  and name HA  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 12042 weight  0.1000E+01 volume 20.33500 ppm1 4.978 ppm2 1.102
ASSI { 12052}
  (( segid "SEGA" and resid 57  and name HG1  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 12052 weight  0.1000E+01 volume 22.12010 ppm1 2.740 ppm2 1.095
ASSI { 12062}
  (( segid "SEGA" and resid 85  and name HA  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 12062 weight  0.1000E+01 volume 12.30380 ppm1 3.883 ppm2 1.098
ASSI { 12072}
  (( segid "SEGA" and resid 57  and name HG2  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 12072 weight  0.1000E+01 volume 15.14210 ppm1 2.521 ppm2 1.095
ASSI { 12082}
  (( segid "SEGA" and resid 37  and name HB  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 12082 weight  0.1000E+01 volume 371.93301 ppm1 2.075 ppm2 1.098
ASSI { 12092}
  (( segid "SEGA" and resid 85  and name HA  ))
  (( segid "SEGA" and resid 37  and name HG2#  ))
     6 6 0 peak 12092 weight  0.1000E+01 volume 94.91740 ppm1 3.870 ppm2 0.956
ASSI { 12132}
  (( segid "SEGA" and resid 29  and name HG  ))
  (( segid "SEGA" and resid 29  and name HB1  ))
     6 6 0 peak 12132 weight  0.1000E+01 volume 44.30230 ppm1 1.185 ppm2 1.962
ASSI { 12142}
  (( segid "SEGA" and resid 29  and name HA  ))
  (( segid "SEGA" and resid 29  and name HB2  ))
     6 6 0 peak 12142 weight  0.1000E+01 volume 9.42060 ppm1 4.108 ppm2 1.510
ASSI { 12152}
  (( segid "SEGA" and resid 29  and name HA  ))
  (( segid "SEGA" and resid 29  and name HB1  ))
     6 6 0 peak 12152 weight  0.1000E+01 volume 8.40310 ppm1 4.114 ppm2 1.966
ASSI { 12162}
  (( segid "SEGA" and resid 32  and name HA  ))
  (( segid "SEGA" and resid 29  and name HD2#  ))
     6 6 0 peak 12162 weight  0.1000E+01 volume 4.49920 ppm1 5.347 ppm2 0.915
ASSI { 12172}
  (( segid "SEGA" and resid 86  and name HD2  ))
  (( segid "SEGA" and resid 34  and name HA  ))
     6 6 0 peak 12172 weight  0.1000E+01 volume 6.50330 ppm1 3.214 ppm2 4.561
ASSI { 12182}
  (( segid "SEGA" and resid 34  and name HA  ))
  (( segid "SEGA" and resid 34  and name HG  ))
     6 6 0 peak 12182 weight  0.1000E+01 volume 70.59390 ppm1 4.556 ppm2 1.500
ASSI { 12192}
  (( segid "SEGA" and resid 116  and name HA  ))
  (( segid "SEGA" and resid 116  and name HG  ))
     6 6 0 peak 12192 weight  0.1000E+01 volume 3.27320 ppm1 4.240 ppm2 1.443
ASSI { 12202}
  (( segid "SEGA" and resid 34  and name HD1#  ))
  (( segid "SEGA" and resid 34  and name HG  ))
     6 6 0 peak 12202 weight  0.1000E+01 volume 25.28360 ppm1 0.587 ppm2 1.505
ASSI { 12212}
  (( segid "SEGA" and resid 34  and name HD2#  ))
  (( segid "SEGA" and resid 34  and name HG  ))
     6 6 0 peak 12212 weight  0.1000E+01 volume 26.94650 ppm1 0.460 ppm2 1.508
ASSI { 12222}
  (( segid "SEGA" and resid 86  and name HD1  ))
  (( segid "SEGA" and resid 34  and name HD1#  ))
     6 6 0 peak 12222 weight  0.1000E+01 volume 8.61170 ppm1 3.089 ppm2 0.546
ASSI { 12232}
  (( segid "SEGA" and resid 47  and name HD1#  ))
  (( segid "SEGA" and resid 47  and name HA  ))
     6 6 0 peak 12232 weight  0.1000E+01 volume 48.29760 ppm1 1.461 ppm2 4.811
ASSI { 12242}
  (( segid "SEGA" and resid 50  and name HE1  ))
  (( segid "SEGA" and resid 47  and name HA  ))
     6 6 0 peak 12242 weight  0.1000E+01 volume 34.22900 ppm1 6.960 ppm2 4.836
ASSI { 12252}
  (( segid "SEGA" and resid 47  and name HD2#  ))
  (( segid "SEGA" and resid 47  and name HG  ))
     6 6 0 peak 12252 weight  0.1000E+01 volume 30.81330 ppm1 0.864 ppm2 1.747
ASSI { 12262}
  (( segid "SEGA" and resid 47  and name HA  ))
  (( segid "SEGA" and resid 47  and name HG  ))
     6 6 0 peak 12262 weight  0.1000E+01 volume 12.69560 ppm1 4.839 ppm2 1.752
ASSI { 12272}
  (( segid "SEGA" and resid 47  and name HB1  ))
  (( segid "SEGA" and resid 47  and name HG  ))
     6 6 0 peak 12272 weight  0.1000E+01 volume 18.57250 ppm1 2.019 ppm2 1.750
ASSI { 12282}
  (( segid "SEGA" and resid 47  and name HD1#  ))
  (( segid "SEGA" and resid 47  and name HG  ))
     6 6 0 peak 12282 weight  0.1000E+01 volume 63.72230 ppm1 1.459 ppm2 1.752
ASSI { 12302}
  (( segid "SEGA" and resid 38  and name HA  ))
  (( segid "SEGA" and resid 38  and name HG1  ))
     6 6 0 peak 12302 weight  0.1000E+01 volume 15.27190 ppm1 4.974 ppm2 1.444
ASSI { 12312}
  (( segid "SEGA" and resid 38  and name HD1  ))
  (( segid "SEGA" and resid 38  and name HG1  ))
     6 6 0 peak 12312 weight  0.1000E+01 volume 32.43100 ppm1 3.564 ppm2 1.444
ASSI { 12332}
  (( segid "SEGA" and resid 43  and name HE3  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 12332 weight  0.1000E+01 volume 21.18110 ppm1 8.282 ppm2 0.104
ASSI { 12342}
  (( segid "SEGA" and resid 48  and name HA  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 12342 weight  0.1000E+01 volume 63.45990 ppm1 3.779 ppm2 0.099
ASSI { 12352}
  (( segid "SEGA" and resid 43  and name HB2  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 12352 weight  0.1000E+01 volume 48.15550 ppm1 3.180 ppm2 0.101
ASSI { 12362}
  (( segid "SEGA" and resid 48  and name HB1  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 12362 weight  0.1000E+01 volume 6.83870 ppm1 2.087 ppm2 0.105
ASSI { 12372}
  (( segid "SEGA" and resid 60  and name HE#  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 12372 weight  0.1000E+01 volume 19.83920 ppm1 1.871 ppm2 0.095
ASSI { 12382}
  (( segid "SEGA" and resid 51  and name HG  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 12382 weight  0.1000E+01 volume 43.63750 ppm1 1.552 ppm2 0.093
ASSI { 12392}
  (( segid "SEGA" and resid 43  and name HE3  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 12392 weight  0.1000E+01 volume 10.47080 ppm1 8.279 ppm2 -0.354
ASSI { 12402}
  (( segid "SEGA" and resid 43  and name HZ3  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 12402 weight  0.1000E+01 volume 14.34540 ppm1 7.011 ppm2 -0.357
ASSI { 12412}
  (( segid "SEGA" and resid 58  and name HB1  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 12412 weight  0.1000E+01 volume 8.47810 ppm1 3.295 ppm2 -0.354
ASSI { 12422}
  (( segid "SEGA" and resid 51  and name HG  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 12422 weight  0.1000E+01 volume 43.61050 ppm1 1.549 ppm2 -0.359
ASSI { 12442}
  (( segid "SEGA" and resid 61  and name HB#  ))
  (( segid "SEGA" and resid 62  and name HA  ))
     6 6 0 peak 12442 weight  0.1000E+01 volume 15.48130 ppm1 1.579 ppm2 4.467
ASSI { 12452}
  (( segid "SEGA" and resid 36  and name HG2#  ))
  (( segid "SEGA" and resid 36  and name HB  ))
     6 6 0 peak 12452 weight  0.1000E+01 volume 15.07680 ppm1 0.753 ppm2 1.746
ASSI { 12462}
  (( segid "SEGA" and resid 61  and name HA  ))
  (( segid "SEGA" and resid 62  and name HD2#  ))
     6 6 0 peak 12462 weight  0.1000E+01 volume 13.41930 ppm1 4.760 ppm2 0.701
ASSI { 12472}
  (( segid "SEGA" and resid 36  and name HD1#  ))
  (( segid "SEGA" and resid 62  and name HD2#  ))
     6 6 0 peak 12472 weight  0.1000E+01 volume 61.11090 ppm1 0.260 ppm2 0.704
ASSI { 12482}
  (( segid "SEGA" and resid 11  and name HB2  ))
  (( segid "SEGA" and resid 11  and name HA  ))
     6 6 0 peak 12482 weight  0.1000E+01 volume 7.24710 ppm1 3.224 ppm2 5.374
ASSI { 12542}
  (( segid "SEGA" and resid 80  and name HB1  ))
  (( segid "SEGA" and resid 80  and name HB2  ))
     6 6 0 peak 12542 weight  0.1000E+01 volume 8.98450 ppm1 1.640 ppm2 1.491
ASSI { 12552}
  (( segid "SEGA" and resid 84  and name HA  ))
  (( segid "SEGA" and resid 80  and name HD2#  ))
     6 6 0 peak 12552 weight  0.1000E+01 volume 2.96420 ppm1 3.680 ppm2 0.585
ASSI { 12562}
  (( segid "SEGA" and resid 52  and name HD1  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 12562 weight  0.1000E+01 volume 7.86020 ppm1 7.247 ppm2 0.650
ASSI { 12572}
  (( segid "SEGA" and resid 52  and name HE1  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 12572 weight  0.1000E+01 volume 11.42500 ppm1 7.046 ppm2 0.648
ASSI { 12582}
  (( segid "SEGA" and resid 78  and name HD2  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 12582 weight  0.1000E+01 volume 10.00330 ppm1 6.359 ppm2 0.648
ASSI { 12592}
  (( segid "SEGA" and resid 84  and name HA  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 12592 weight  0.1000E+01 volume 23.00030 ppm1 3.664 ppm2 0.652
ASSI { 12602}
  (( segid "SEGA" and resid 52  and name HB2  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 12602 weight  0.1000E+01 volume 43.79600 ppm1 2.814 ppm2 0.657
ASSI { 12612}
  (( segid "SEGA" and resid 52  and name HB1  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 12612 weight  0.1000E+01 volume 5.06360 ppm1 3.124 ppm2 0.646
ASSI { 12622}
  (( segid "SEGA" and resid 87  and name HG1  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 12622 weight  0.1000E+01 volume 41.47440 ppm1 2.010 ppm2 0.662
ASSI { 12632}
  (( segid "SEGA" and resid 79  and name HB2  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 12632 weight  0.1000E+01 volume 88.66730 ppm1 1.936 ppm2 0.662
ASSI { 12642}
  (( segid "SEGA" and resid 80  and name HB1  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 12642 weight  0.1000E+01 volume 216.89220 ppm1 1.548 ppm2 0.662
ASSI { 12652}
  (( segid "SEGA" and resid 80  and name HG  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 12652 weight  0.1000E+01 volume 155.25050 ppm1 1.365 ppm2 0.662
ASSI { 12662}
  (( segid "SEGA" and resid 84  and name HD1#  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 12662 weight  0.1000E+01 volume 121.88590 ppm1 0.844 ppm2 0.657
ASSI { 12672}
  (( segid "SEGA" and resid 80  and name HD1#  ))
  (( segid "SEGA" and resid 80  and name HG  ))
     6 6 0 peak 12672 weight  0.1000E+01 volume 83.43050 ppm1 0.652 ppm2 1.373
ASSI { 12682}
  (( segid "SEGA" and resid 80  and name HD2#  ))
  (( segid "SEGA" and resid 80  and name HG  ))
     6 6 0 peak 12682 weight  0.1000E+01 volume 88.14100 ppm1 0.587 ppm2 1.370
ASSI { 12692}
  (( segid "SEGA" and resid 80  and name HA  ))
  (( segid "SEGA" and resid 80  and name HG  ))
     6 6 0 peak 12692 weight  0.1000E+01 volume 15.31890 ppm1 5.348 ppm2 1.365
ASSI { 12702}
  (( segid "SEGA" and resid 80  and name HB2  ))
  (( segid "SEGA" and resid 80  and name HA  ))
     6 6 0 peak 12702 weight  0.1000E+01 volume 28.73680 ppm1 1.513 ppm2 5.351
ASSI { 12752}
  (( segid "SEGA" and resid 84  and name HD1#  ))
  (( segid "SEGA" and resid 80  and name HG  ))
     6 6 0 peak 12752 weight  0.1000E+01 volume 18.26070 ppm1 0.854 ppm2 1.391
ASSI { 12762}
  (( segid "SEGA" and resid 80  and name HD1#  ))
  (( segid "SEGA" and resid 84  and name HA  ))
     6 6 0 peak 12762 weight  0.1000E+01 volume 16.73990 ppm1 0.661 ppm2 3.658
ASSI { 12772}
  (( segid "SEGA" and resid 84  and name HA  ))
  (( segid "SEGA" and resid 84  and name HB1  ))
     6 6 0 peak 12772 weight  0.1000E+01 volume 2.41630 ppm1 3.665 ppm2 2.271
ASSI { 12782}
  (( segid "SEGA" and resid 84  and name HA  ))
  (( segid "SEGA" and resid 84  and name HB2  ))
     6 6 0 peak 12782 weight  0.1000E+01 volume 17.90390 ppm1 3.665 ppm2 1.701
ASSI { 12792}
  (( segid "SEGA" and resid 84  and name HB1  ))
  (( segid "SEGA" and resid 84  and name HB2  ))
     6 6 0 peak 12792 weight  0.1000E+01 volume 24.94800 ppm1 2.262 ppm2 1.701
ASSI { 12802}
  (( segid "SEGA" and resid 59  and name HB#  ))
  (( segid "SEGA" and resid 84  and name HB2  ))
     6 6 0 peak 12802 weight  0.1000E+01 volume 7.94870 ppm1 1.402 ppm2 1.715
ASSI { 12812}
  (( segid "SEGA" and resid 84  and name HG  ))
  (( segid "SEGA" and resid 84  and name HB2  ))
     6 6 0 peak 12812 weight  0.1000E+01 volume 12.97200 ppm1 1.542 ppm2 1.704
ASSI { 12822}
  (( segid "SEGA" and resid 80  and name HA  ))
  (( segid "SEGA" and resid 84  and name HD1#  ))
     6 6 0 peak 12822 weight  0.1000E+01 volume 4.47320 ppm1 5.339 ppm2 0.844
ASSI { 12842}
  (( segid "SEGA" and resid 117  and name HA  ))
  (( segid "SEGA" and resid 116  and name HB1  ))
     6 6 0 peak 12842 weight  0.1000E+01 volume 21.50680 ppm1 4.451 ppm2 1.584
ASSI { 12852}
  (( segid "SEGA" and resid 119  and name HB1  ))
  (( segid "SEGA" and resid 116  and name HB1  ))
     6 6 0 peak 12852 weight  0.1000E+01 volume 8.22020 ppm1 2.696 ppm2 1.590
ASSI { 12862}
  (( segid "SEGA" and resid 111  and name HA  ))
  (( segid "SEGA" and resid 111  and name HG  ))
     6 6 0 peak 12862 weight  0.1000E+01 volume 158.33290 ppm1 4.488 ppm2 1.697
ASSI { 12872}
  (( segid "SEGA" and resid 112  and name HA  ))
  (( segid "SEGA" and resid 111  and name HG  ))
     6 6 0 peak 12872 weight  0.1000E+01 volume 70.26600 ppm1 4.422 ppm2 1.695
ASSI { 12912}
  (( segid "SEGA" and resid 5  and name HD2  ))
  (( segid "SEGA" and resid 5  and name HG1  ))
     6 6 0 peak 12912 weight  0.1000E+01 volume 60.24450 ppm1 3.527 ppm2 1.758
ASSI { 12952}
  (( segid "SEGA" and resid 111  and name HD2#  ))
  (( segid "SEGA" and resid 111  and name HG  ))
     6 6 0 peak 12952 weight  0.1000E+01 volume 115.28750 ppm1 0.911 ppm2 1.696
ASSI { 12962}
  (( segid "SEGA" and resid 111  and name HD1#  ))
  (( segid "SEGA" and resid 111  and name HG  ))
     6 6 0 peak 12962 weight  0.1000E+01 volume 113.34670 ppm1 0.985 ppm2 1.698
ASSI { 12982}
  (( segid "SEGA" and resid 2  and name HD1  ))
  (( segid "SEGA" and resid 7  and name HA  ))
     6 6 0 peak 12982 weight  0.1000E+01 volume 10.83580 ppm1 7.230 ppm2 4.971
ASSI { 12992}
  (( segid "SEGA" and resid 39  and name HB1  ))
  (( segid "SEGA" and resid 39  and name HA  ))
     6 6 0 peak 12992 weight  0.1000E+01 volume 70.00400 ppm1 3.280 ppm2 4.923
ASSI { 13012}
  (( segid "SEGA" and resid 2  and name HE1  ))
  (( segid "SEGA" and resid 7  and name HB  ))
     6 6 0 peak 13012 weight  0.1000E+01 volume 9.79550 ppm1 7.240 ppm2 1.734
ASSI { 13022}
  (( segid "SEGA" and resid 7  and name HA  ))
  (( segid "SEGA" and resid 7  and name HG11  ))
     6 6 0 peak 13022 weight  0.1000E+01 volume 19.29960 ppm1 4.966 ppm2 1.100
ASSI { 13032}
  (( segid "SEGA" and resid 2  and name HA  ))
  (( segid "SEGA" and resid 7  and name HG11  ))
     6 6 0 peak 13032 weight  0.1000E+01 volume 5.57580 ppm1 5.461 ppm2 1.096
ASSI { 13042}
  (( segid "SEGA" and resid 7  and name HG12  ))
  (( segid "SEGA" and resid 7  and name HG11  ))
     6 6 0 peak 13042 weight  0.1000E+01 volume 167.43201 ppm1 1.917 ppm2 1.101
ASSI { 13052}
  (( segid "SEGA" and resid 7  and name HB  ))
  (( segid "SEGA" and resid 7  and name HG11  ))
     6 6 0 peak 13052 weight  0.1000E+01 volume 26.96500 ppm1 1.722 ppm2 1.101
ASSI { 13062}
  (( segid "SEGA" and resid 7  and name HD1#  ))
  (( segid "SEGA" and resid 7  and name HG11  ))
     6 6 0 peak 13062 weight  0.1000E+01 volume 140.58110 ppm1 0.915 ppm2 1.096
ASSI { 13072}
  (( segid "SEGA" and resid 9  and name HE1  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 13072 weight  0.1000E+01 volume 4.99780 ppm1 2.280 ppm2 0.989
ASSI { 13082}
  (( segid "SEGA" and resid 9  and name HE2  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 13082 weight  0.1000E+01 volume 16.72230 ppm1 2.141 ppm2 0.990
ASSI { 13092}
  (( segid "SEGA" and resid 2  and name HA  ))
  (( segid "SEGA" and resid 7  and name HD1#  ))
     6 6 0 peak 13092 weight  0.1000E+01 volume 17.70210 ppm1 5.466 ppm2 0.916
ASSI { 13112}
  (( segid "SEGA" and resid 64  and name HD1  ))
  (( segid "SEGA" and resid 67  and name HD1#  ))
     6 6 0 peak 13112 weight  0.1000E+01 volume 26.89680 ppm1 7.031 ppm2 0.906
ASSI { 13122}
  (( segid "SEGA" and resid 64  and name HE1  ))
  (( segid "SEGA" and resid 67  and name HD1#  ))
     6 6 0 peak 13122 weight  0.1000E+01 volume 31.42830 ppm1 7.232 ppm2 0.908
ASSI { 13132}
  (( segid "SEGA" and resid 67  and name HG2#  ))
  (( segid "SEGA" and resid 67  and name HB  ))
     6 6 0 peak 13132 weight  0.1000E+01 volume 66.38000 ppm1 0.788 ppm2 1.578
ASSI { 13142}
  (( segid "SEGA" and resid 18  and name HG1#  ))
  (( segid "SEGA" and resid 67  and name HB  ))
     6 6 0 peak 13142 weight  0.1000E+01 volume 6.76040 ppm1 0.486 ppm2 1.572
ASSI { 13152}
  (( segid "SEGA" and resid 18  and name HG2#  ))
  (( segid "SEGA" and resid 67  and name HB  ))
     6 6 0 peak 13152 weight  0.1000E+01 volume 4.70710 ppm1 -0.190 ppm2 1.572
ASSI { 13162}
  (( segid "SEGA" and resid 67  and name HA  ))
  (( segid "SEGA" and resid 67  and name HG12  ))
     6 6 0 peak 13162 weight  0.1000E+01 volume 3.45990 ppm1 3.878 ppm2 0.778
ASSI { 13172}
  (( segid "SEGA" and resid 90  and name HE1  ))
  (( segid "SEGA" and resid 88  and name HG2  ))
     6 6 0 peak 13172 weight  0.1000E+01 volume 17.14880 ppm1 7.270 ppm2 1.567
ASSI { 13182}
  (( segid "SEGA" and resid 88  and name HA  ))
  (( segid "SEGA" and resid 88  and name HG2  ))
     6 6 0 peak 13182 weight  0.1000E+01 volume 41.61930 ppm1 5.166 ppm2 1.569
ASSI { 13192}
  (( segid "SEGA" and resid 67  and name HD1#  ))
  (( segid "SEGA" and resid 67  and name HG11  ))
     6 6 0 peak 13192 weight  0.1000E+01 volume 154.51050 ppm1 0.903 ppm2 1.549
ASSI { 13202}
  (( segid "SEGA" and resid 67  and name HG2#  ))
  (( segid "SEGA" and resid 67  and name HG11  ))
     6 6 0 peak 13202 weight  0.1000E+01 volume 72.59290 ppm1 0.784 ppm2 1.548
ASSI { 13212}
  (( segid "SEGA" and resid 29  and name HD1#  ))
  (( segid "SEGA" and resid 88  and name HG2  ))
     6 6 0 peak 13212 weight  0.1000E+01 volume 10.84750 ppm1 0.364 ppm2 1.566
ASSI { 13222}
  (( segid "SEGA" and resid 67  and name HB  ))
  (( segid "SEGA" and resid 67  and name HG12  ))
     6 6 0 peak 13222 weight  0.1000E+01 volume 49.54030 ppm1 1.561 ppm2 0.778
ASSI { 13232}
  (( segid "SEGA" and resid 18  and name HG2#  ))
  (( segid "SEGA" and resid 67  and name HG2#  ))
     6 6 0 peak 13232 weight  0.1000E+01 volume 28.06900 ppm1 -0.208 ppm2 0.749
ASSI { 13242}
  (( segid "SEGA" and resid 18  and name HG2#  ))
  (( segid "SEGA" and resid 67  and name HD1#  ))
     6 6 0 peak 13242 weight  0.1000E+01 volume 5.36380 ppm1 -0.206 ppm2 0.895
ASSI { 13252}
  (( segid "SEGA" and resid 89  and name HD1#  ))
  (( segid "SEGA" and resid 89  and name HA  ))
     6 6 0 peak 13252 weight  0.1000E+01 volume 6.56920 ppm1 0.404 ppm2 5.039
ASSI { 13262}
  (( segid "SEGA" and resid 78  and name HA  ))
  (( segid "SEGA" and resid 89  and name HA  ))
     6 6 0 peak 13262 weight  0.1000E+01 volume 7.15650 ppm1 5.897 ppm2 5.049
ASSI { 13272}
  (( segid "SEGA" and resid 89  and name HG12  ))
  (( segid "SEGA" and resid 89  and name HB  ))
     6 6 0 peak 13272 weight  0.1000E+01 volume 5.35750 ppm1 0.615 ppm2 1.319
ASSI { 13282}
  (( segid "SEGA" and resid 89  and name HD1#  ))
  (( segid "SEGA" and resid 89  and name HB  ))
     6 6 0 peak 13282 weight  0.1000E+01 volume 7.80610 ppm1 0.392 ppm2 1.307
ASSI { 13292}
  (( segid "SEGA" and resid 89  and name HG2#  ))
  (( segid "SEGA" and resid 89  and name HB  ))
     6 6 0 peak 13292 weight  0.1000E+01 volume 0.92140 ppm1 0.100 ppm2 1.307
ASSI { 13302}
  (( segid "SEGA" and resid 89  and name HA  ))
  (( segid "SEGA" and resid 89  and name HG12  ))
     6 6 0 peak 13302 weight  0.1000E+01 volume 12.09850 ppm1 5.071 ppm2 0.594
ASSI { 13312}
  (( segid "SEGA" and resid 89  and name HG12  ))
  (( segid "SEGA" and resid 89  and name HG11  ))
     6 6 0 peak 13312 weight  0.1000E+01 volume 53.53610 ppm1 0.604 ppm2 0.944
ASSI { 13322}
  (( segid "SEGA" and resid 89  and name HD1#  ))
  (( segid "SEGA" and resid 89  and name HG11  ))
     6 6 0 peak 13322 weight  0.1000E+01 volume 37.20250 ppm1 0.404 ppm2 0.944
ASSI { 13332}
  (( segid "SEGA" and resid 89  and name HG2#  ))
  (( segid "SEGA" and resid 89  and name HG11  ))
     6 6 0 peak 13332 weight  0.1000E+01 volume 12.38190 ppm1 0.066 ppm2 0.940
ASSI { 13342}
  (( segid "SEGA" and resid 89  and name HA  ))
  (( segid "SEGA" and resid 89  and name HB  ))
     6 6 0 peak 13342 weight  0.1000E+01 volume 3.47440 ppm1 5.054 ppm2 1.299
ASSI { 13352}
  (( segid "SEGA" and resid 78  and name HA  ))
  (( segid "SEGA" and resid 89  and name HG11  ))
     6 6 0 peak 13352 weight  0.1000E+01 volume 2.63140 ppm1 5.903 ppm2 0.908
ASSI { 13362}
  (( segid "SEGA" and resid 78  and name HB1  ))
  (( segid "SEGA" and resid 89  and name HG11  ))
     6 6 0 peak 13362 weight  0.1000E+01 volume 2.92400 ppm1 2.856 ppm2 0.908
ASSI { 13372}
  (( segid "SEGA" and resid 78  and name HA  ))
  (( segid "SEGA" and resid 89  and name HG12  ))
     6 6 0 peak 13372 weight  0.1000E+01 volume 8.18840 ppm1 5.898 ppm2 0.586
ASSI { 13382}
  (( segid "SEGA" and resid 78  and name HB2  ))
  (( segid "SEGA" and resid 89  and name HG12  ))
     6 6 0 peak 13382 weight  0.1000E+01 volume 5.08760 ppm1 2.636 ppm2 0.604
ASSI { 13392}
  (( segid "SEGA" and resid 87  and name HE#  ))
  (( segid "SEGA" and resid 89  and name HG12  ))
     6 6 0 peak 13392 weight  0.1000E+01 volume 25.75350 ppm1 1.629 ppm2 0.611
ASSI { 13412}
  (( segid "SEGA" and resid 89  and name HB  ))
  (( segid "SEGA" and resid 89  and name HG12  ))
     6 6 0 peak 13412 weight  0.1000E+01 volume 22.31200 ppm1 1.312 ppm2 0.614
ASSI { 13422}
  (( segid "SEGA" and resid 89  and name HG11  ))
  (( segid "SEGA" and resid 89  and name HG12  ))
     6 6 0 peak 13422 weight  0.1000E+01 volume 21.63380 ppm1 0.934 ppm2 0.611
ASSI { 13432}
  (( segid "SEGA" and resid 89  and name HD1#  ))
  (( segid "SEGA" and resid 89  and name HG12  ))
     6 6 0 peak 13432 weight  0.1000E+01 volume 58.49470 ppm1 0.388 ppm2 0.604
ASSI { 13442}
  (( segid "SEGA" and resid 89  and name HG2#  ))
  (( segid "SEGA" and resid 89  and name HG12  ))
     6 6 0 peak 13442 weight  0.1000E+01 volume 8.70320 ppm1 0.084 ppm2 0.604
ASSI { 13452}
  (( segid "SEGA" and resid 43  and name HA  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 13452 weight  0.1000E+01 volume 37.55520 ppm1 4.948 ppm2 -0.087
ASSI { 13462}
  (( segid "SEGA" and resid 68  and name HD1  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 13462 weight  0.1000E+01 volume 15.99890 ppm1 7.550 ppm2 0.384
ASSI { 13472}
  (( segid "SEGA" and resid 78  and name HA  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 13472 weight  0.1000E+01 volume 9.51720 ppm1 5.887 ppm2 0.397
ASSI { 13482}
  (( segid "SEGA" and resid 65  and name HA1  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 13482 weight  0.1000E+01 volume 8.56590 ppm1 4.271 ppm2 0.394
ASSI { 13492}
  (( segid "SEGA" and resid 65  and name HA2  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 13492 weight  0.1000E+01 volume 8.49620 ppm1 3.849 ppm2 0.398
ASSI { 13502}
  (( segid "SEGA" and resid 89  and name HA  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 13502 weight  0.1000E+01 volume 11.80470 ppm1 5.067 ppm2 0.386
ASSI { 13512}
  (( segid "SEGA" and resid 68  and name HE1  ))
  (( segid "SEGA" and resid 89  and name HG2#  ))
     6 6 0 peak 13512 weight  0.1000E+01 volume 9.53990 ppm1 6.867 ppm2 0.070
ASSI { 13522}
  (( segid "SEGA" and resid 42  and name HB2  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 13522 weight  0.1000E+01 volume 7.00800 ppm1 2.377 ppm2 -0.096
ASSI { 13532}
  (( segid "SEGA" and resid 89  and name HB  ))
  (( segid "SEGA" and resid 89  and name HG2#  ))
     6 6 0 peak 13532 weight  0.1000E+01 volume 28.92140 ppm1 1.298 ppm2 0.076
ASSI { 13542}
  (( segid "SEGA" and resid 76  and name HB#  ))
  (( segid "SEGA" and resid 89  and name HG2#  ))
     6 6 0 peak 13542 weight  0.1000E+01 volume 43.66730 ppm1 1.009 ppm2 0.081
ASSI { 13552}
  (( segid "SEGA" and resid 30  and name HG1#  ))
  (( segid "SEGA" and resid 89  and name HG2#  ))
     6 6 0 peak 13552 weight  0.1000E+01 volume 17.98010 ppm1 0.806 ppm2 0.083
ASSI { 13562}
  (( segid "SEGA" and resid 101  and name HG2#  ))
  (( segid "SEGA" and resid 89  and name HG2#  ))
     6 6 0 peak 13562 weight  0.1000E+01 volume 14.37700 ppm1 0.686 ppm2 0.084
ASSI { 13572}
  (( segid "SEGA" and resid 89  and name HG12  ))
  (( segid "SEGA" and resid 89  and name HG2#  ))
     6 6 0 peak 13572 weight  0.1000E+01 volume 36.66850 ppm1 0.604 ppm2 0.084
ASSI { 13582}
  (( segid "SEGA" and resid 89  and name HD1#  ))
  (( segid "SEGA" and resid 89  and name HG2#  ))
     6 6 0 peak 13582 weight  0.1000E+01 volume 115.35080 ppm1 0.413 ppm2 0.079
ASSI { 13592}
  (( segid "SEGA" and resid 32  and name HA  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 13592 weight  0.1000E+01 volume 2.42170 ppm1 5.359 ppm2 0.397
ASSI { 13602}
  (( segid "SEGA" and resid 78  and name HB1  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 13602 weight  0.1000E+01 volume 6.12510 ppm1 2.853 ppm2 0.396
ASSI { 13612}
  (( segid "SEGA" and resid 78  and name HB2  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 13612 weight  0.1000E+01 volume 17.05840 ppm1 2.623 ppm2 0.393
ASSI { 13632}
  (( segid "SEGA" and resid 26  and name HA  ))
  (( segid "SEGA" and resid 92  and name HA  ))
     6 6 0 peak 13632 weight  0.1000E+01 volume 4.21790 ppm1 3.636 ppm2 4.727
ASSI { 13652}
  (( segid "SEGA" and resid 59  and name HB#  ))
  (( segid "SEGA" and resid 84  and name HB1  ))
     6 6 0 peak 13652 weight  0.1000E+01 volume 12.95360 ppm1 1.409 ppm2 2.273
ASSI { 13662}
  (( segid "SEGA" and resid 94  and name HD1  ))
  (( segid "SEGA" and resid 26  and name HG1  ))
     6 6 0 peak 13662 weight  0.1000E+01 volume 16.35230 ppm1 3.782 ppm2 1.236
ASSI { 13672}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 91  and name HG2#  ))
     6 6 0 peak 13672 weight  0.1000E+01 volume 8.04060 ppm1 7.257 ppm2 1.111
ASSI { 13682}
  (( segid "SEGA" and resid 90  and name HA  ))
  (( segid "SEGA" and resid 91  and name HG2#  ))
     6 6 0 peak 13682 weight  0.1000E+01 volume 14.37210 ppm1 5.581 ppm2 1.121
ASSI { 13692}
  (( segid "SEGA" and resid 74  and name HG1  ))
  (( segid "SEGA" and resid 92  and name HD1#  ))
     6 6 0 peak 13692 weight  0.1000E+01 volume 38.07290 ppm1 1.976 ppm2 0.817
ASSI { 13712}
  (( segid "SEGA" and resid 95  and name HA  ))
  (( segid "SEGA" and resid 95  and name HB  ))
     6 6 0 peak 13712 weight  0.1000E+01 volume 24.05660 ppm1 4.422 ppm2 1.854
ASSI { 13722}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 95  and name HB  ))
     6 6 0 peak 13722 weight  0.1000E+01 volume 24.41580 ppm1 7.257 ppm2 1.849
ASSI { 13732}
  (( segid "SEGA" and resid 24  and name HA  ))
  (( segid "SEGA" and resid 95  and name HB  ))
     6 6 0 peak 13732 weight  0.1000E+01 volume 9.87150 ppm1 5.061 ppm2 1.859
ASSI { 13742}
  (( segid "SEGA" and resid 24  and name HB1  ))
  (( segid "SEGA" and resid 95  and name HB  ))
     6 6 0 peak 13742 weight  0.1000E+01 volume 21.16100 ppm1 3.277 ppm2 1.845
ASSI { 13752}
  (( segid "SEGA" and resid 24  and name HB2  ))
  (( segid "SEGA" and resid 95  and name HB  ))
     6 6 0 peak 13752 weight  0.1000E+01 volume 27.78710 ppm1 2.930 ppm2 1.850
ASSI { 13762}
  (( segid "SEGA" and resid 95  and name HA  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13762 weight  0.1000E+01 volume 151.53250 ppm1 4.417 ppm2 1.097
ASSI { 13772}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13772 weight  0.1000E+01 volume 29.60720 ppm1 7.491 ppm2 1.097
ASSI { 13782}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13782 weight  0.1000E+01 volume 41.21750 ppm1 7.253 ppm2 1.099
ASSI { 13792}
  (( segid "SEGA" and resid 91  and name HB  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13792 weight  0.1000E+01 volume 10.62610 ppm1 5.126 ppm2 1.100
ASSI { 13802}
  (( segid "SEGA" and resid 101  and name HA  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13802 weight  0.1000E+01 volume 25.85150 ppm1 4.723 ppm2 1.099
ASSI { 13812}
  (( segid "SEGA" and resid 75  and name HB1  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13812 weight  0.1000E+01 volume 2.85780 ppm1 3.167 ppm2 1.101
ASSI { 13822}
  (( segid "SEGA" and resid 24  and name HB1  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13822 weight  0.1000E+01 volume 27.81440 ppm1 3.263 ppm2 1.101
ASSI { 13832}
  (( segid "SEGA" and resid 24  and name HB2  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13832 weight  0.1000E+01 volume 26.98100 ppm1 2.929 ppm2 1.098
ASSI { 13842}
  (( segid "SEGA" and resid 99  and name HG1  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13842 weight  0.1000E+01 volume 12.54110 ppm1 2.515 ppm2 1.100
ASSI { 13852}
  (( segid "SEGA" and resid 99  and name HB1  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13852 weight  0.1000E+01 volume 125.66310 ppm1 2.208 ppm2 1.102
ASSI { 13862}
  (( segid "SEGA" and resid 99  and name HG2  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13862 weight  0.1000E+01 volume 146.77600 ppm1 2.304 ppm2 1.100
ASSI { 13872}
  (( segid "SEGA" and resid 20  and name HB#  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13872 weight  0.1000E+01 volume 196.97940 ppm1 2.127 ppm2 1.100
ASSI { 13882}
  (( segid "SEGA" and resid 95  and name HG11  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13882 weight  0.1000E+01 volume 63.40120 ppm1 2.036 ppm2 1.098
ASSI { 13892}
  (( segid "SEGA" and resid 96  and name HB#  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13892 weight  0.1000E+01 volume 63.12150 ppm1 1.502 ppm2 1.104
ASSI { 13902}
  (( segid "SEGA" and resid 95  and name HB  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13902 weight  0.1000E+01 volume 128.17360 ppm1 1.838 ppm2 1.098
ASSI { 13912}
  (( segid "SEGA" and resid 101  and name HG12  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13912 weight  0.1000E+01 volume 129.67410 ppm1 0.877 ppm2 1.099
ASSI { 13922}
  (( segid "SEGA" and resid 95  and name HD1#  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 13922 weight  0.1000E+01 volume 251.41090 ppm1 0.683 ppm2 1.100
ASSI { 13942}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 95  and name HD1#  ))
     6 6 0 peak 13942 weight  0.1000E+01 volume 450.15790 ppm1 1.109 ppm2 0.681
ASSI { 13952}
  (( segid "SEGA" and resid 20  and name HB#  ))
  (( segid "SEGA" and resid 97  and name HA  ))
     6 6 0 peak 13952 weight  0.1000E+01 volume 71.18990 ppm1 2.128 ppm2 3.252
ASSI { 13962}
  (( segid "SEGA" and resid 23  and name HA  ))
  (( segid "SEGA" and resid 97  and name HB  ))
     6 6 0 peak 13962 weight  0.1000E+01 volume 4.81760 ppm1 4.923 ppm2 1.612
ASSI { 13972}
  (( segid "SEGA" and resid 97  and name HA  ))
  (( segid "SEGA" and resid 97  and name HG11  ))
     6 6 0 peak 13972 weight  0.1000E+01 volume 74.12940 ppm1 3.252 ppm2 1.608
ASSI { 13982}
  (( segid "SEGA" and resid 23  and name HA  ))
  (( segid "SEGA" and resid 97  and name HG11  ))
     6 6 0 peak 13982 weight  0.1000E+01 volume 6.92890 ppm1 4.922 ppm2 1.610
ASSI { 13992}
  (( segid "SEGA" and resid 23  and name HB2  ))
  (( segid "SEGA" and resid 97  and name HB  ))
     6 6 0 peak 13992 weight  0.1000E+01 volume 3.83970 ppm1 4.076 ppm2 1.606
ASSI { 14002}
  (( segid "SEGA" and resid 23  and name HB1  ))
  (( segid "SEGA" and resid 97  and name HB  ))
     6 6 0 peak 14002 weight  0.1000E+01 volume 5.26740 ppm1 4.028 ppm2 1.606
ASSI { 14012}
  (( segid "SEGA" and resid 20  and name HB#  ))
  (( segid "SEGA" and resid 97  and name HG11  ))
     6 6 0 peak 14012 weight  0.1000E+01 volume 45.96720 ppm1 2.124 ppm2 1.610
ASSI { 14022}
  (( segid "SEGA" and resid 97  and name HD1#  ))
  (( segid "SEGA" and resid 97  and name HG11  ))
     6 6 0 peak 14022 weight  0.1000E+01 volume 205.86800 ppm1 1.011 ppm2 1.611
ASSI { 14032}
  (( segid "SEGA" and resid 97  and name HG2#  ))
  (( segid "SEGA" and resid 97  and name HG11  ))
     6 6 0 peak 14032 weight  0.1000E+01 volume 59.64390 ppm1 0.903 ppm2 1.611
ASSI { 14042}
  (( segid "SEGA" and resid 97  and name HG12  ))
  (( segid "SEGA" and resid 97  and name HG11  ))
     6 6 0 peak 14042 weight  0.1000E+01 volume 163.58740 ppm1 0.641 ppm2 1.617
ASSI { 14052}
  (( segid "SEGA" and resid 76  and name HA  ))
  (( segid "SEGA" and resid 101  and name HG2#  ))
     6 6 0 peak 14052 weight  0.1000E+01 volume 18.24730 ppm1 5.049 ppm2 0.703
ASSI { 14072}
  (( segid "SEGA" and resid 76  and name HB#  ))
  (( segid "SEGA" and resid 101  and name HG2#  ))
     6 6 0 peak 14072 weight  0.1000E+01 volume 90.91140 ppm1 1.007 ppm2 0.705
ASSI { 14082}
  (( segid "SEGA" and resid 18  and name HG1#  ))
  (( segid "SEGA" and resid 101  and name HD1#  ))
     6 6 0 peak 14082 weight  0.1000E+01 volume 98.73450 ppm1 0.453 ppm2 0.702
ASSI { 14092}
  (( segid "SEGA" and resid 91  and name HB  ))
  (( segid "SEGA" and resid 95  and name HD1#  ))
     6 6 0 peak 14092 weight  0.1000E+01 volume 45.22570 ppm1 5.131 ppm2 0.676
ASSI { 14102}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 95  and name HD1#  ))
     6 6 0 peak 14102 weight  0.1000E+01 volume 48.52850 ppm1 7.256 ppm2 0.676
ASSI { 14112}
  (( segid "SEGA" and resid 24  and name HZ  ))
  (( segid "SEGA" and resid 101  and name HD1#  ))
     6 6 0 peak 14112 weight  0.1000E+01 volume 16.50640 ppm1 7.354 ppm2 0.676
ASSI { 14122}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 101  and name HD1#  ))
     6 6 0 peak 14122 weight  0.1000E+01 volume 22.69760 ppm1 7.492 ppm2 0.676
ASSI { 14152}
  (( segid "SEGA" and resid 101  and name HG12  ))
  (( segid "SEGA" and resid 101  and name HD1#  ))
     6 6 0 peak 14152 weight  0.1000E+01 volume 493.73880 ppm1 0.869 ppm2 0.675
ASSI { 14172}
  (( segid "SEGA" and resid 101  and name HA  ))
  (( segid "SEGA" and resid 101  and name HG11  ))
     6 6 0 peak 14172 weight  0.1000E+01 volume 10.53790 ppm1 4.715 ppm2 1.795
ASSI { 14182}
  (( segid "SEGA" and resid 101  and name HA  ))
  (( segid "SEGA" and resid 101  and name HG12  ))
     6 6 0 peak 14182 weight  0.1000E+01 volume 6.72710 ppm1 4.744 ppm2 0.879
ASSI { 14192}
  (( segid "SEGA" and resid 101  and name HG2#  ))
  (( segid "SEGA" and resid 101  and name HG11  ))
     6 6 0 peak 14192 weight  0.1000E+01 volume 70.50310 ppm1 0.675 ppm2 1.809
ASSI { 14202}
  (( segid "SEGA" and resid 101  and name HB  ))
  (( segid "SEGA" and resid 101  and name HG12  ))
     6 6 0 peak 14202 weight  0.1000E+01 volume 391.49951 ppm1 1.806 ppm2 0.887
ASSI { 14212}
  (( segid "SEGA" and resid 101  and name HG2#  ))
  (( segid "SEGA" and resid 101  and name HG12  ))
     6 6 0 peak 14212 weight  0.1000E+01 volume 123.98080 ppm1 0.678 ppm2 0.887
ASSI { 14222}
  (( segid "SEGA" and resid 74  and name HB2  ))
  (( segid "SEGA" and resid 103  and name HA  ))
     6 6 0 peak 14222 weight  0.1000E+01 volume 12.11700 ppm1 1.794 ppm2 5.056
ASSI { 14232}
  (( segid "SEGA" and resid 88  and name HA  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 14232 weight  0.1000E+01 volume 16.05720 ppm1 5.156 ppm2 0.384
ASSI { 14242}
  (( segid "SEGA" and resid 103  and name HA  ))
  (( segid "SEGA" and resid 103  and name HG2#  ))
     6 6 0 peak 14242 weight  0.1000E+01 volume 83.55990 ppm1 5.076 ppm2 0.442
ASSI { 14252}
  (( segid "SEGA" and resid 68  and name HD1  ))
  (( segid "SEGA" and resid 103  and name HG2#  ))
     6 6 0 peak 14252 weight  0.1000E+01 volume 4.93180 ppm1 7.524 ppm2 0.444
ASSI { 14262}
  (( segid "SEGA" and resid 77  and name HA  ))
  (( segid "SEGA" and resid 103  and name HG2#  ))
     6 6 0 peak 14262 weight  0.1000E+01 volume 13.86610 ppm1 5.205 ppm2 0.441
ASSI { 14272}
  (( segid "SEGA" and resid 68  and name HB1  ))
  (( segid "SEGA" and resid 103  and name HG2#  ))
     6 6 0 peak 14272 weight  0.1000E+01 volume 9.56330 ppm1 2.890 ppm2 0.445
ASSI { 14282}
  (( segid "SEGA" and resid 78  and name HB2  ))
  (( segid "SEGA" and resid 103  and name HG2#  ))
     6 6 0 peak 14282 weight  0.1000E+01 volume 2.43070 ppm1 2.593 ppm2 0.439
ASSI { 14292}
  (( segid "SEGA" and resid 77  and name HB1  ))
  (( segid "SEGA" and resid 103  and name HG2#  ))
     6 6 0 peak 14292 weight  0.1000E+01 volume 2.83810 ppm1 1.825 ppm2 0.437
ASSI { 14302}
  (( segid "SEGA" and resid 103  and name HB  ))
  (( segid "SEGA" and resid 103  and name HG2#  ))
     6 6 0 peak 14302 weight  0.1000E+01 volume 79.85900 ppm1 2.091 ppm2 0.446
ASSI { 14312}
  (( segid "SEGA" and resid 76  and name HB#  ))
  (( segid "SEGA" and resid 103  and name HG2#  ))
     6 6 0 peak 14312 weight  0.1000E+01 volume 40.45040 ppm1 1.004 ppm2 0.441
ASSI { 14322}
  (( segid "SEGA" and resid 101  and name HG2#  ))
  (( segid "SEGA" and resid 103  and name HG2#  ))
     6 6 0 peak 14322 weight  0.1000E+01 volume 62.10330 ppm1 0.665 ppm2 0.443
ASSI { 14332}
  (( segid "SEGA" and resid 89  and name HG2#  ))
  (( segid "SEGA" and resid 103  and name HG2#  ))
     6 6 0 peak 14332 weight  0.1000E+01 volume 13.46080 ppm1 0.070 ppm2 0.446
ASSI { 14342}
  (( segid "SEGA" and resid 103  and name HN  ))
  (( segid "SEGA" and resid 103  and name HD1#  ))
     6 6 0 peak 14342 weight  0.1000E+01 volume 3.34720 ppm1 8.010 ppm2 0.450
ASSI { 14352}
  (( segid "SEGA" and resid 68  and name HB2  ))
  (( segid "SEGA" and resid 103  and name HD1#  ))
     6 6 0 peak 14352 weight  0.1000E+01 volume 5.11730 ppm1 2.770 ppm2 0.460
ASSI { 14362}
  (( segid "SEGA" and resid 89  and name HG12  ))
  (( segid "SEGA" and resid 103  and name HD1#  ))
     6 6 0 peak 14362 weight  0.1000E+01 volume 90.64630 ppm1 0.534 ppm2 0.450
ASSI { 14372}
  (( segid "SEGA" and resid 76  and name HA  ))
  (( segid "SEGA" and resid 92  and name HG11  ))
     6 6 0 peak 14372 weight  0.1000E+01 volume 6.50420 ppm1 5.076 ppm2 1.156
ASSI { 14392}
  (( segid "SEGA" and resid 92  and name HB  ))
  (( segid "SEGA" and resid 92  and name HG11  ))
     6 6 0 peak 14392 weight  0.1000E+01 volume 11.38500 ppm1 2.259 ppm2 1.153
ASSI { 14412}
  (( segid "SEGA" and resid 92  and name HD1#  ))
  (( segid "SEGA" and resid 92  and name HG11  ))
     6 6 0 peak 14412 weight  0.1000E+01 volume 111.95310 ppm1 0.818 ppm2 1.148
ASSI { 14422}
  (( segid "SEGA" and resid 92  and name HG12  ))
  (( segid "SEGA" and resid 92  and name HG11  ))
     6 6 0 peak 14422 weight  0.1000E+01 volume 54.23530 ppm1 0.555 ppm2 1.146
ASSI { 14432}
  (( segid "SEGA" and resid 92  and name HB  ))
  (( segid "SEGA" and resid 92  and name HG12  ))
     6 6 0 peak 14432 weight  0.1000E+01 volume 15.60160 ppm1 2.256 ppm2 0.558
ASSI { 14442}
  (( segid "SEGA" and resid 92  and name HD1#  ))
  (( segid "SEGA" and resid 92  and name HG12  ))
     6 6 0 peak 14442 weight  0.1000E+01 volume 28.95400 ppm1 0.818 ppm2 0.557
ASSI { 14452}
  (( segid "SEGA" and resid 92  and name HG11  ))
  (( segid "SEGA" and resid 92  and name HG12  ))
     6 6 0 peak 14452 weight  0.1000E+01 volume 18.18210 ppm1 1.143 ppm2 0.552
ASSI { 14472}
  (( segid "SEGA" and resid 9  and name HA  ))
  (( segid "SEGA" and resid 9  and name HB2  ))
     6 6 0 peak 14472 weight  0.1000E+01 volume 93.19400 ppm1 4.897 ppm2 1.498
ASSI { 14482}
  (( segid "SEGA" and resid 9  and name HB1  ))
  (( segid "SEGA" and resid 9  and name HB2  ))
     6 6 0 peak 14482 weight  0.1000E+01 volume 203.15021 ppm1 1.830 ppm2 1.490
ASSI { 14492}
  (( segid "SEGA" and resid 19  and name HD1  ))
  (( segid "SEGA" and resid 9  and name HB2  ))
     6 6 0 peak 14492 weight  0.1000E+01 volume 24.66570 ppm1 7.277 ppm2 1.495
ASSI { 14502}
  (( segid "SEGA" and resid 9  and name HE2  ))
  (( segid "SEGA" and resid 9  and name HB2  ))
     6 6 0 peak 14502 weight  0.1000E+01 volume 56.45130 ppm1 2.153 ppm2 1.490
ASSI { 14512}
  (( segid "SEGA" and resid 9  and name HD1  ))
  (( segid "SEGA" and resid 9  and name HB2  ))
     6 6 0 peak 14512 weight  0.1000E+01 volume 68.40350 ppm1 1.200 ppm2 1.497
ASSI { 14522}
  (( segid "SEGA" and resid 9  and name HG2  ))
  (( segid "SEGA" and resid 9  and name HB2  ))
     6 6 0 peak 14522 weight  0.1000E+01 volume 21.17080 ppm1 0.979 ppm2 1.494
ASSI { 14532}
  (( segid "SEGA" and resid 9  and name HA  ))
  (( segid "SEGA" and resid 9  and name HG1  ))
     6 6 0 peak 14532 weight  0.1000E+01 volume 46.40940 ppm1 4.894 ppm2 1.196
ASSI { 14542}
  (( segid "SEGA" and resid 9  and name HA  ))
  (( segid "SEGA" and resid 9  and name HG2  ))
     6 6 0 peak 14542 weight  0.1000E+01 volume 55.27540 ppm1 4.897 ppm2 0.979
ASSI { 14552}
  (( segid "SEGA" and resid 9  and name HE1  ))
  (( segid "SEGA" and resid 9  and name HG1  ))
     6 6 0 peak 14552 weight  0.1000E+01 volume 23.57050 ppm1 2.267 ppm2 1.204
ASSI { 14562}
  (( segid "SEGA" and resid 9  and name HE2  ))
  (( segid "SEGA" and resid 9  and name HG1  ))
     6 6 0 peak 14562 weight  0.1000E+01 volume 17.71330 ppm1 2.152 ppm2 1.199
ASSI { 14572}
  (( segid "SEGA" and resid 9  and name HE2  ))
  (( segid "SEGA" and resid 9  and name HG2  ))
     6 6 0 peak 14572 weight  0.1000E+01 volume 29.96110 ppm1 2.157 ppm2 0.975
ASSI { 14582}
  (( segid "SEGA" and resid 9  and name HE1  ))
  (( segid "SEGA" and resid 9  and name HG2  ))
     6 6 0 peak 14582 weight  0.1000E+01 volume 19.53760 ppm1 2.273 ppm2 0.983
ASSI { 14592}
  (( segid "SEGA" and resid 9  and name HB1  ))
  (( segid "SEGA" and resid 9  and name HG1  ))
     6 6 0 peak 14592 weight  0.1000E+01 volume 30.37570 ppm1 1.824 ppm2 1.204
ASSI { 14602}
  (( segid "SEGA" and resid 9  and name HB2  ))
  (( segid "SEGA" and resid 9  and name HG1  ))
     6 6 0 peak 14602 weight  0.1000E+01 volume 55.20530 ppm1 1.480 ppm2 1.202
ASSI { 14612}
  (( segid "SEGA" and resid 9  and name HG1  ))
  (( segid "SEGA" and resid 9  and name HG2  ))
     6 6 0 peak 14612 weight  0.1000E+01 volume 514.28418 ppm1 1.202 ppm2 0.983
ASSI { 14622}
  (( segid "SEGA" and resid 9  and name HG2  ))
  (( segid "SEGA" and resid 9  and name HG1  ))
     6 6 0 peak 14622 weight  0.1000E+01 volume 274.07599 ppm1 0.975 ppm2 1.193
ASSI { 14632}
  (( segid "SEGA" and resid 19  and name HD1  ))
  (( segid "SEGA" and resid 9  and name HG1  ))
     6 6 0 peak 14632 weight  0.1000E+01 volume 24.19770 ppm1 7.305 ppm2 1.198
ASSI { 14642}
  (( segid "SEGA" and resid 19  and name HD1  ))
  (( segid "SEGA" and resid 9  and name HG2  ))
     6 6 0 peak 14642 weight  0.1000E+01 volume 58.66730 ppm1 7.302 ppm2 0.975
ASSI { 14652}
  (( segid "SEGA" and resid 8  and name HG1#  ))
  (( segid "SEGA" and resid 9  and name HA  ))
     6 6 0 peak 14652 weight  0.1000E+01 volume 37.16510 ppm1 0.937 ppm2 4.895
ASSI { 14662}
  (( segid "SEGA" and resid 72  and name HB1  ))
  (( segid "SEGA" and resid 72  and name HA  ))
     6 6 0 peak 14662 weight  0.1000E+01 volume 23.32080 ppm1 2.046 ppm2 4.457
ASSI { 14672}
  (( segid "SEGA" and resid 72  and name HB2  ))
  (( segid "SEGA" and resid 72  and name HA  ))
     6 6 0 peak 14672 weight  0.1000E+01 volume 46.30570 ppm1 1.957 ppm2 4.460
ASSI { 14682}
  (( segid "SEGA" and resid 72  and name HD2  ))
  (( segid "SEGA" and resid 72  and name HA  ))
     6 6 0 peak 14682 weight  0.1000E+01 volume 58.39050 ppm1 1.844 ppm2 4.463
ASSI { 14692}
  (( segid "SEGA" and resid 72  and name HG2  ))
  (( segid "SEGA" and resid 72  and name HA  ))
     6 6 0 peak 14692 weight  0.1000E+01 volume 26.94260 ppm1 1.622 ppm2 4.460
ASSI { 14702}
  (( segid "SEGA" and resid 72  and name HE2  ))
  (( segid "SEGA" and resid 72  and name HB1  ))
     6 6 0 peak 14702 weight  0.1000E+01 volume 4.48600 ppm1 3.068 ppm2 2.043
ASSI { 14712}
  (( segid "SEGA" and resid 72  and name HA  ))
  (( segid "SEGA" and resid 72  and name HB1  ))
     6 6 0 peak 14712 weight  0.1000E+01 volume 72.27990 ppm1 4.482 ppm2 2.049
ASSI { 14722}
  (( segid "SEGA" and resid 21  and name HA  ))
  (( segid "SEGA" and resid 21  and name HB1  ))
     6 6 0 peak 14722 weight  0.1000E+01 volume 153.03180 ppm1 4.480 ppm2 1.920
ASSI { 14732}
  (( segid "SEGA" and resid 21  and name HD1  ))
  (( segid "SEGA" and resid 21  and name HB1  ))
     6 6 0 peak 14732 weight  0.1000E+01 volume 19.30070 ppm1 3.433 ppm2 1.910
ASSI { 14742}
  (( segid "SEGA" and resid 21  and name HD2  ))
  (( segid "SEGA" and resid 21  and name HB1  ))
     6 6 0 peak 14742 weight  0.1000E+01 volume 14.59770 ppm1 3.255 ppm2 1.914
ASSI { 14762}
  (( segid "SEGA" and resid 72  and name HD2  ))
  (( segid "SEGA" and resid 72  and name HB1  ))
     6 6 0 peak 14762 weight  0.1000E+01 volume 228.00740 ppm1 1.849 ppm2 2.041
ASSI { 14772}
  (( segid "SEGA" and resid 72  and name HG2  ))
  (( segid "SEGA" and resid 72  and name HB1  ))
     6 6 0 peak 14772 weight  0.1000E+01 volume 86.47940 ppm1 1.638 ppm2 2.038
ASSI { 14782}
  (( segid "SEGA" and resid 21  and name HG2  ))
  (( segid "SEGA" and resid 21  and name HB1  ))
     6 6 0 peak 14782 weight  0.1000E+01 volume 60.01620 ppm1 1.635 ppm2 1.929
ASSI { 14792}
  (( segid "SEGA" and resid 21  and name HB2  ))
  (( segid "SEGA" and resid 21  and name HB1  ))
     6 6 0 peak 14792 weight  0.1000E+01 volume 154.70650 ppm1 1.486 ppm2 1.921
ASSI { 14802}
  (( segid "SEGA" and resid 7  and name HG2#  ))
  (( segid "SEGA" and resid 21  and name HB1  ))
     6 6 0 peak 14802 weight  0.1000E+01 volume 16.08750 ppm1 0.984 ppm2 1.918
ASSI { 14842}
  (( segid "SEGA" and resid 72  and name HA  ))
  (( segid "SEGA" and resid 72  and name HG2  ))
     6 6 0 peak 14842 weight  0.1000E+01 volume 34.42460 ppm1 4.464 ppm2 1.628
ASSI { 14852}
  (( segid "SEGA" and resid 72  and name HE2  ))
  (( segid "SEGA" and resid 72  and name HG2  ))
     6 6 0 peak 14852 weight  0.1000E+01 volume 57.89260 ppm1 3.045 ppm2 1.631
ASSI { 14862}
  (( segid "SEGA" and resid 72  and name HB1  ))
  (( segid "SEGA" and resid 72  and name HG2  ))
     6 6 0 peak 14862 weight  0.1000E+01 volume 94.43500 ppm1 2.044 ppm2 1.627
ASSI { 14872}
  (( segid "SEGA" and resid 72  and name HB2  ))
  (( segid "SEGA" and resid 72  and name HG2  ))
     6 6 0 peak 14872 weight  0.1000E+01 volume 95.27230 ppm1 1.954 ppm2 1.629
ASSI { 14882}
  (( segid "SEGA" and resid 72  and name HD2  ))
  (( segid "SEGA" and resid 72  and name HG2  ))
     6 6 0 peak 14882 weight  0.1000E+01 volume 104.81410 ppm1 1.812 ppm2 1.632
ASSI { 14892}
  (( segid "SEGA" and resid 72  and name HA  ))
  (( segid "SEGA" and resid 72  and name HD2  ))
     6 6 0 peak 14892 weight  0.1000E+01 volume 20.08060 ppm1 4.455 ppm2 1.813
ASSI { 14902}
  (( segid "SEGA" and resid 72  and name HE2  ))
  (( segid "SEGA" and resid 72  and name HD2  ))
     6 6 0 peak 14902 weight  0.1000E+01 volume 268.79370 ppm1 3.055 ppm2 1.820
ASSI { 14912}
  (( segid "SEGA" and resid 20  and name HA  ))
  (( segid "SEGA" and resid 26  and name HE1  ))
     6 6 0 peak 14912 weight  0.1000E+01 volume 148.15190 ppm1 4.657 ppm2 3.069
ASSI { 14922}
  (( segid "SEGA" and resid 94  and name HD1  ))
  (( segid "SEGA" and resid 26  and name HE1  ))
     6 6 0 peak 14922 weight  0.1000E+01 volume 31.10860 ppm1 3.779 ppm2 3.066
ASSI { 14932}
  (( segid "SEGA" and resid 26  and name HA  ))
  (( segid "SEGA" and resid 26  and name HE1  ))
     6 6 0 peak 14932 weight  0.1000E+01 volume 38.88290 ppm1 3.640 ppm2 3.066
ASSI { 14942}
  (( segid "SEGA" and resid 72  and name HD2  ))
  (( segid "SEGA" and resid 72  and name HE2  ))
     6 6 0 peak 14942 weight  0.1000E+01 volume 170.33910 ppm1 1.855 ppm2 3.066
ASSI { 14952}
  (( segid "SEGA" and resid 26  and name HD1  ))
  (( segid "SEGA" and resid 26  and name HE1  ))
     6 6 0 peak 14952 weight  0.1000E+01 volume 586.22888 ppm1 1.762 ppm2 3.066
ASSI { 14962}
  (( segid "SEGA" and resid 26  and name HG1  ))
  (( segid "SEGA" and resid 26  and name HE1  ))
     6 6 0 peak 14962 weight  0.1000E+01 volume 154.21980 ppm1 1.238 ppm2 3.069
ASSI { 14972}
  (( segid "SEGA" and resid 26  and name HG2  ))
  (( segid "SEGA" and resid 26  and name HE1  ))
     6 6 0 peak 14972 weight  0.1000E+01 volume 167.65240 ppm1 1.070 ppm2 3.066
ASSI { 14982}
  (( segid "SEGA" and resid 26  and name HB2  ))
  (( segid "SEGA" and resid 26  and name HE1  ))
     6 6 0 peak 14982 weight  0.1000E+01 volume 236.66260 ppm1 1.480 ppm2 3.067
ASSI { 14992}
  (( segid "SEGA" and resid 22  and name HB1  ))
  (( segid "SEGA" and resid 22  and name HA  ))
     6 6 0 peak 14992 weight  0.1000E+01 volume 97.08960 ppm1 1.815 ppm2 4.592
ASSI { 15002}
  (( segid "SEGA" and resid 22  and name HB2  ))
  (( segid "SEGA" and resid 22  and name HA  ))
     6 6 0 peak 15002 weight  0.1000E+01 volume 208.33810 ppm1 1.737 ppm2 4.592
ASSI { 15012}
  (( segid "SEGA" and resid 22  and name HD2  ))
  (( segid "SEGA" and resid 22  and name HA  ))
     6 6 0 peak 15012 weight  0.1000E+01 volume 71.80650 ppm1 1.437 ppm2 4.586
ASSI { 15022}
  (( segid "SEGA" and resid 22  and name HG2  ))
  (( segid "SEGA" and resid 22  and name HA  ))
     6 6 0 peak 15022 weight  0.1000E+01 volume 10.80870 ppm1 1.266 ppm2 4.592
ASSI { 15032}
  (( segid "SEGA" and resid 97  and name HD1#  ))
  (( segid "SEGA" and resid 22  and name HA  ))
     6 6 0 peak 15032 weight  0.1000E+01 volume 70.44840 ppm1 1.014 ppm2 4.592
ASSI { 15042}
  (( segid "SEGA" and resid 97  and name HG2#  ))
  (( segid "SEGA" and resid 22  and name HA  ))
     6 6 0 peak 15042 weight  0.1000E+01 volume 32.21030 ppm1 0.900 ppm2 4.590
ASSI { 15052}
  (( segid "SEGA" and resid 97  and name HG11  ))
  (( segid "SEGA" and resid 22  and name HA  ))
     6 6 0 peak 15052 weight  0.1000E+01 volume 44.28390 ppm1 1.613 ppm2 4.592
ASSI { 15062}
  (( segid "SEGA" and resid 97  and name HG12  ))
  (( segid "SEGA" and resid 22  and name HA  ))
     6 6 0 peak 15062 weight  0.1000E+01 volume 35.22760 ppm1 0.639 ppm2 4.592
ASSI { 15072}
  (( segid "SEGA" and resid 97  and name HA  ))
  (( segid "SEGA" and resid 22  and name HA  ))
     6 6 0 peak 15072 weight  0.1000E+01 volume 11.82850 ppm1 3.253 ppm2 4.595
ASSI { 15082}
  (( segid "SEGA" and resid 22  and name HA  ))
  (( segid "SEGA" and resid 22  and name HB2  ))
     6 6 0 peak 15082 weight  0.1000E+01 volume 50.07390 ppm1 4.590 ppm2 1.690
ASSI { 15092}
  (( segid "SEGA" and resid 22  and name HA  ))
  (( segid "SEGA" and resid 22  and name HB1  ))
     6 6 0 peak 15092 weight  0.1000E+01 volume 61.06590 ppm1 4.590 ppm2 1.793
ASSI { 15102}
  (( segid "SEGA" and resid 22  and name HD2  ))
  (( segid "SEGA" and resid 22  and name HB2  ))
     6 6 0 peak 15102 weight  0.1000E+01 volume 59.23340 ppm1 1.438 ppm2 1.758
ASSI { 15112}
  (( segid "SEGA" and resid 81  and name HG2#  ))
  (( segid "SEGA" and resid 86  and name HB2  ))
     6 6 0 peak 15112 weight  0.1000E+01 volume 106.45830 ppm1 1.263 ppm2 1.705
ASSI { 15122}
  (( segid "SEGA" and resid 22  and name HG2  ))
  (( segid "SEGA" and resid 22  and name HB2  ))
     6 6 0 peak 15122 weight  0.1000E+01 volume 143.26060 ppm1 1.268 ppm2 1.752
ASSI { 15132}
  (( segid "SEGA" and resid 34  and name HD2#  ))
  (( segid "SEGA" and resid 86  and name HB2  ))
     6 6 0 peak 15132 weight  0.1000E+01 volume 14.11820 ppm1 0.369 ppm2 1.699
ASSI { 15152}
  (( segid "SEGA" and resid 86  and name HA  ))
  (( segid "SEGA" and resid 86  and name HB2  ))
     6 6 0 peak 15152 weight  0.1000E+01 volume 68.87110 ppm1 5.187 ppm2 1.717
ASSI { 15172}
  (( segid "SEGA" and resid 91  and name HB  ))
  (( segid "SEGA" and resid 26  and name HA  ))
     6 6 0 peak 15172 weight  0.1000E+01 volume 8.72630 ppm1 5.135 ppm2 3.629
ASSI { 15182}
  (( segid "SEGA" and resid 94  and name HD1  ))
  (( segid "SEGA" and resid 26  and name HB1  ))
     6 6 0 peak 15182 weight  0.1000E+01 volume 36.11750 ppm1 3.786 ppm2 1.776
ASSI { 15192}
  (( segid "SEGA" and resid 94  and name HG2  ))
  (( segid "SEGA" and resid 26  and name HB1  ))
     6 6 0 peak 15192 weight  0.1000E+01 volume 11.96520 ppm1 2.132 ppm2 1.778
ASSI { 15202}
  (( segid "SEGA" and resid 26  and name HB2  ))
  (( segid "SEGA" and resid 26  and name HB1  ))
     6 6 0 peak 15202 weight  0.1000E+01 volume 312.84570 ppm1 1.475 ppm2 1.790
ASSI { 15212}
  (( segid "SEGA" and resid 94  and name HG2  ))
  (( segid "SEGA" and resid 26  and name HB2  ))
     6 6 0 peak 15212 weight  0.1000E+01 volume 11.33760 ppm1 2.122 ppm2 1.481
ASSI { 15222}
  (( segid "SEGA" and resid 93  and name HA  ))
  (( segid "SEGA" and resid 26  and name HD1  ))
     6 6 0 peak 15222 weight  0.1000E+01 volume 17.99130 ppm1 4.676 ppm2 1.763
ASSI { 15232}
  (( segid "SEGA" and resid 26  and name HE1  ))
  (( segid "SEGA" and resid 26  and name HD1  ))
     6 6 0 peak 15232 weight  0.1000E+01 volume 425.74521 ppm1 3.072 ppm2 1.764
ASSI { 15252}
  (( segid "SEGA" and resid 94  and name HG1  ))
  (( segid "SEGA" and resid 26  and name HD1  ))
     6 6 0 peak 15252 weight  0.1000E+01 volume 22.91360 ppm1 2.273 ppm2 1.772
ASSI { 15262}
  (( segid "SEGA" and resid 37  and name HG1#  ))
  (( segid "SEGA" and resid 85  and name HA  ))
     6 6 0 peak 15262 weight  0.1000E+01 volume 3.17180 ppm1 1.101 ppm2 3.856
ASSI { 15272}
  (( segid "SEGA" and resid 37  and name HG2#  ))
  (( segid "SEGA" and resid 85  and name HA  ))
     6 6 0 peak 15272 weight  0.1000E+01 volume 59.31520 ppm1 0.959 ppm2 3.856
ASSI { 15282}
  (( segid "SEGA" and resid 35  and name HB1  ))
  (( segid "SEGA" and resid 85  and name HA  ))
     6 6 0 peak 15282 weight  0.1000E+01 volume 10.80430 ppm1 3.267 ppm2 3.856
ASSI { 15292}
  (( segid "SEGA" and resid 85  and name HA  ))
  (( segid "SEGA" and resid 85  and name HB1  ))
     6 6 0 peak 15292 weight  0.1000E+01 volume 37.31750 ppm1 3.845 ppm2 2.020
ASSI { 15302}
  (( segid "SEGA" and resid 85  and name HE1  ))
  (( segid "SEGA" and resid 85  and name HB1  ))
     6 6 0 peak 15302 weight  0.1000E+01 volume 17.52700 ppm1 3.192 ppm2 2.014
ASSI { 15312}
  (( segid "SEGA" and resid 83  and name HA2  ))
  (( segid "SEGA" and resid 85  and name HE1  ))
     6 6 0 peak 15312 weight  0.1000E+01 volume 25.76070 ppm1 3.966 ppm2 3.189
ASSI { 15322}
  (( segid "SEGA" and resid 85  and name HA  ))
  (( segid "SEGA" and resid 85  and name HE1  ))
     6 6 0 peak 15322 weight  0.1000E+01 volume 52.36830 ppm1 3.880 ppm2 3.185
ASSI { 15332}
  (( segid "SEGA" and resid 85  and name HB1  ))
  (( segid "SEGA" and resid 85  and name HE1  ))
     6 6 0 peak 15332 weight  0.1000E+01 volume 85.08230 ppm1 2.021 ppm2 3.182
ASSI { 15352}
  (( segid "SEGA" and resid 84  and name HB2  ))
  (( segid "SEGA" and resid 85  and name HE1  ))
     6 6 0 peak 15352 weight  0.1000E+01 volume 134.08569 ppm1 1.697 ppm2 3.185
ASSI { 15362}
  (( segid "SEGA" and resid 85  and name HG2  ))
  (( segid "SEGA" and resid 85  and name HE1  ))
     6 6 0 peak 15362 weight  0.1000E+01 volume 44.18760 ppm1 1.533 ppm2 3.187
ASSI { 15372}
  (( segid "SEGA" and resid 5  and name HA  ))
  (( segid "SEGA" and resid 5  and name HB1  ))
     6 6 0 peak 15372 weight  0.1000E+01 volume 14.22200 ppm1 4.423 ppm2 2.274
ASSI { 15382}
  (( segid "SEGA" and resid 24  and name HZ  ))
  (( segid "SEGA" and resid 5  and name HB1  ))
     6 6 0 peak 15382 weight  0.1000E+01 volume 12.07310 ppm1 7.347 ppm2 2.280
ASSI { 15392}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 5  and name HB1  ))
     6 6 0 peak 15392 weight  0.1000E+01 volume 14.40450 ppm1 7.490 ppm2 2.278
ASSI { 15412}
  (( segid "SEGA" and resid 6  and name HG1#  ))
  (( segid "SEGA" and resid 5  and name HB1  ))
     6 6 0 peak 15412 weight  0.1000E+01 volume 10.96800 ppm1 0.860 ppm2 2.285
ASSI { 15442}
  (( segid "SEGA" and resid 21  and name HA  ))
  (( segid "SEGA" and resid 21  and name HG1  ))
     6 6 0 peak 15442 weight  0.1000E+01 volume 55.97080 ppm1 4.492 ppm2 1.756
ASSI { 15452}
  (( segid "SEGA" and resid 21  and name HA  ))
  (( segid "SEGA" and resid 21  and name HG2  ))
     6 6 0 peak 15452 weight  0.1000E+01 volume 65.48120 ppm1 4.492 ppm2 1.633
ASSI { 15462}
  (( segid "SEGA" and resid 21  and name HD1  ))
  (( segid "SEGA" and resid 21  and name HG2  ))
     6 6 0 peak 15462 weight  0.1000E+01 volume 48.53940 ppm1 3.360 ppm2 1.631
ASSI { 15472}
  (( segid "SEGA" and resid 21  and name HD1  ))
  (( segid "SEGA" and resid 21  and name HG1  ))
     6 6 0 peak 15472 weight  0.1000E+01 volume 25.93330 ppm1 3.357 ppm2 1.756
ASSI { 15482}
  (( segid "SEGA" and resid 79  and name HB1  ))
  (( segid "SEGA" and resid 88  and name HD1  ))
     6 6 0 peak 15482 weight  0.1000E+01 volume 61.29290 ppm1 2.100 ppm2 3.222
ASSI { 15492}
  (( segid "SEGA" and resid 81  and name HG2#  ))
  (( segid "SEGA" and resid 86  and name HD2  ))
     6 6 0 peak 15492 weight  0.1000E+01 volume 33.64640 ppm1 1.254 ppm2 3.222
ASSI { 15502}
  (( segid "SEGA" and resid 29  and name HD1#  ))
  (( segid "SEGA" and resid 88  and name HD1  ))
     6 6 0 peak 15502 weight  0.1000E+01 volume 68.48410 ppm1 0.369 ppm2 3.247
ASSI { 15512}
  (( segid "SEGA" and resid 38  and name HB2  ))
  (( segid "SEGA" and resid 38  and name HA  ))
     6 6 0 peak 15512 weight  0.1000E+01 volume 41.86990 ppm1 1.548 ppm2 4.971
ASSI { 15522}
  (( segid "SEGA" and resid 38  and name HA  ))
  (( segid "SEGA" and resid 38  and name HB1  ))
     6 6 0 peak 15522 weight  0.1000E+01 volume 38.86320 ppm1 4.980 ppm2 2.118
ASSI { 15532}
  (( segid "SEGA" and resid 38  and name HD1  ))
  (( segid "SEGA" and resid 38  and name HB1  ))
     6 6 0 peak 15532 weight  0.1000E+01 volume 8.07700 ppm1 3.555 ppm2 2.136
ASSI { 15542}
  (( segid "SEGA" and resid 38  and name HB1  ))
  (( segid "SEGA" and resid 38  and name HA  ))
     6 6 0 peak 15542 weight  0.1000E+01 volume 90.80510 ppm1 2.097 ppm2 4.986
ASSI { 15552}
  (( segid "SEGA" and resid 38  and name HD1  ))
  (( segid "SEGA" and resid 38  and name HG2  ))
     6 6 0 peak 15552 weight  0.1000E+01 volume 32.39040 ppm1 3.564 ppm2 1.229
ASSI { 15562}
  (( segid "SEGA" and resid 38  and name HD2  ))
  (( segid "SEGA" and resid 38  and name HG1  ))
     6 6 0 peak 15562 weight  0.1000E+01 volume 9.95990 ppm1 3.289 ppm2 1.439
ASSI { 15572}
  (( segid "SEGA" and resid 38  and name HD2  ))
  (( segid "SEGA" and resid 38  and name HG2  ))
     6 6 0 peak 15572 weight  0.1000E+01 volume 18.29690 ppm1 3.293 ppm2 1.229
ASSI { 15582}
  (( segid "SEGA" and resid 38  and name HB2  ))
  (( segid "SEGA" and resid 38  and name HD1  ))
     6 6 0 peak 15582 weight  0.1000E+01 volume 12.76680 ppm1 1.548 ppm2 3.575
ASSI { 15592}
  (( segid "SEGA" and resid 38  and name HG1  ))
  (( segid "SEGA" and resid 38  and name HD2  ))
     6 6 0 peak 15592 weight  0.1000E+01 volume 23.24030 ppm1 1.427 ppm2 3.299
ASSI { 15602}
  (( segid "SEGA" and resid 86  and name HD2  ))
  (( segid "SEGA" and resid 86  and name HA  ))
     6 6 0 peak 15602 weight  0.1000E+01 volume 26.26400 ppm1 3.211 ppm2 5.195
ASSI { 15612}
  (( segid "SEGA" and resid 86  and name HD1  ))
  (( segid "SEGA" and resid 86  and name HA  ))
     6 6 0 peak 15612 weight  0.1000E+01 volume 7.65710 ppm1 3.088 ppm2 5.195
ASSI { 15622}
  (( segid "SEGA" and resid 34  and name HA  ))
  (( segid "SEGA" and resid 86  and name HA  ))
     6 6 0 peak 15622 weight  0.1000E+01 volume 40.73580 ppm1 4.558 ppm2 5.194
ASSI { 15632}
  (( segid "SEGA" and resid 77  and name HB1  ))
  (( segid "SEGA" and resid 77  and name HA  ))
     6 6 0 peak 15632 weight  0.1000E+01 volume 80.19150 ppm1 1.760 ppm2 5.190
ASSI { 15642}
  (( segid "SEGA" and resid 77  and name HA  ))
  (( segid "SEGA" and resid 77  and name HB1  ))
     6 6 0 peak 15642 weight  0.1000E+01 volume 8.76750 ppm1 5.221 ppm2 1.800
ASSI { 15652}
  (( segid "SEGA" and resid 77  and name HA  ))
  (( segid "SEGA" and resid 77  and name HB2  ))
     6 6 0 peak 15652 weight  0.1000E+01 volume 8.28270 ppm1 5.224 ppm2 1.556
ASSI { 15662}
  (( segid "SEGA" and resid 77  and name HG1  ))
  (( segid "SEGA" and resid 77  and name HA  ))
     6 6 0 peak 15662 weight  0.1000E+01 volume 209.33810 ppm1 1.604 ppm2 5.192
ASSI { 15672}
  (( segid "SEGA" and resid 92  and name HG2#  ))
  (( segid "SEGA" and resid 77  and name HB1  ))
     6 6 0 peak 15672 weight  0.1000E+01 volume 27.25670 ppm1 0.860 ppm2 1.881
ASSI { 15682}
  (( segid "SEGA" and resid 86  and name HA  ))
  (( segid "SEGA" and resid 86  and name HG2  ))
     6 6 0 peak 15682 weight  0.1000E+01 volume 75.20850 ppm1 5.191 ppm2 1.611
ASSI { 15692}
  (( segid "SEGA" and resid 86  and name HD2  ))
  (( segid "SEGA" and resid 86  and name HG2  ))
     6 6 0 peak 15692 weight  0.1000E+01 volume 136.39980 ppm1 3.208 ppm2 1.614
ASSI { 15702}
  (( segid "SEGA" and resid 81  and name HG2#  ))
  (( segid "SEGA" and resid 86  and name HG2  ))
     6 6 0 peak 15702 weight  0.1000E+01 volume 63.04160 ppm1 1.275 ppm2 1.614
ASSI { 15712}
  (( segid "SEGA" and resid 86  and name HA  ))
  (( segid "SEGA" and resid 86  and name HD1  ))
     6 6 0 peak 15712 weight  0.1000E+01 volume 13.00230 ppm1 5.195 ppm2 3.086
ASSI { 15732}
  (( segid "SEGA" and resid 86  and name HG2  ))
  (( segid "SEGA" and resid 86  and name HD1  ))
     6 6 0 peak 15732 weight  0.1000E+01 volume 543.36310 ppm1 1.607 ppm2 3.078
ASSI { 15752}
  (( segid "SEGA" and resid 81  and name HG2#  ))
  (( segid "SEGA" and resid 86  and name HD1  ))
     6 6 0 peak 15752 weight  0.1000E+01 volume 39.17700 ppm1 1.263 ppm2 3.086
ASSI { 15762}
  (( segid "SEGA" and resid 29  and name HD1#  ))
  (( segid "SEGA" and resid 88  and name HA  ))
     6 6 0 peak 15762 weight  0.1000E+01 volume 44.88820 ppm1 0.374 ppm2 5.131
ASSI { 15772}
  (( segid "SEGA" and resid 88  and name HG2  ))
  (( segid "SEGA" and resid 88  and name HA  ))
     6 6 0 peak 15772 weight  0.1000E+01 volume 166.23399 ppm1 1.574 ppm2 5.165
ASSI { 15782}
  (( segid "SEGA" and resid 32  and name HB1  ))
  (( segid "SEGA" and resid 88  and name HA  ))
     6 6 0 peak 15782 weight  0.1000E+01 volume 29.34180 ppm1 2.006 ppm2 5.147
ASSI { 15792}
  (( segid "SEGA" and resid 88  and name HB1  ))
  (( segid "SEGA" and resid 88  and name HA  ))
     6 6 0 peak 15792 weight  0.1000E+01 volume 65.05020 ppm1 1.407 ppm2 5.122
ASSI { 15802}
  (( segid "SEGA" and resid 88  and name HD1  ))
  (( segid "SEGA" and resid 88  and name HA  ))
     6 6 0 peak 15802 weight  0.1000E+01 volume 27.45520 ppm1 3.226 ppm2 5.173
ASSI { 15822}
  (( segid "SEGA" and resid 32  and name HA  ))
  (( segid "SEGA" and resid 88  and name HA  ))
     6 6 0 peak 15822 weight  0.1000E+01 volume 89.99970 ppm1 5.352 ppm2 5.156
ASSI { 15832}
  (( segid "SEGA" and resid 86  and name HD2  ))
  (( segid "SEGA" and resid 86  and name HB2  ))
     6 6 0 peak 15832 weight  0.1000E+01 volume 9.57980 ppm1 3.215 ppm2 1.707
ASSI { 15842}
  (( segid "SEGA" and resid 86  and name HD1  ))
  (( segid "SEGA" and resid 86  and name HB2  ))
     6 6 0 peak 15842 weight  0.1000E+01 volume 29.43650 ppm1 3.083 ppm2 1.699
ASSI { 15852}
  (( segid "SEGA" and resid 88  and name HD1  ))
  (( segid "SEGA" and resid 88  and name HB1  ))
     6 6 0 peak 15852 weight  0.1000E+01 volume 21.12380 ppm1 3.263 ppm2 1.387
ASSI { 15862}
  (( segid "SEGA" and resid 88  and name HA  ))
  (( segid "SEGA" and resid 88  and name HB1  ))
     6 6 0 peak 15862 weight  0.1000E+01 volume 26.21080 ppm1 5.164 ppm2 1.391
ASSI { 15872}
  (( segid "SEGA" and resid 90  and name HE1  ))
  (( segid "SEGA" and resid 88  and name HB1  ))
     6 6 0 peak 15872 weight  0.1000E+01 volume 16.54390 ppm1 7.294 ppm2 1.368
ASSI { 15882}
  (( segid "SEGA" and resid 79  and name HB1  ))
  (( segid "SEGA" and resid 88  and name HB1  ))
     6 6 0 peak 15882 weight  0.1000E+01 volume 21.10400 ppm1 2.129 ppm2 1.384
ASSI { 15902}
  (( segid "SEGA" and resid 88  and name HG2  ))
  (( segid "SEGA" and resid 88  and name HB1  ))
     6 6 0 peak 15902 weight  0.1000E+01 volume 15.83560 ppm1 1.569 ppm2 1.373
ASSI { 15912}
  (( segid "SEGA" and resid 29  and name HD1#  ))
  (( segid "SEGA" and resid 88  and name HB1  ))
     6 6 0 peak 15912 weight  0.1000E+01 volume 15.87950 ppm1 0.372 ppm2 1.380
ASSI { 15922}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 24  and name HB1  ))
     6 6 0 peak 15922 weight  0.1000E+01 volume 181.14880 ppm1 7.274 ppm2 3.253
ASSI { 15932}
  (( segid "SEGA" and resid 94  and name HD1  ))
  (( segid "SEGA" and resid 94  and name HB1  ))
     6 6 0 peak 15932 weight  0.1000E+01 volume 28.98620 ppm1 3.775 ppm2 2.565
ASSI { 15942}
  (( segid "SEGA" and resid 26  and name HB2  ))
  (( segid "SEGA" and resid 94  and name HG1  ))
     6 6 0 peak 15942 weight  0.1000E+01 volume 10.01500 ppm1 1.471 ppm2 2.282
ASSI { 15952}
  (( segid "SEGA" and resid 94  and name HB1  ))
  (( segid "SEGA" and resid 94  and name HD1  ))
     6 6 0 peak 15952 weight  0.1000E+01 volume 14.58500 ppm1 2.553 ppm2 3.776
ASSI { 15962}
  (( segid "SEGA" and resid 26  and name HE1  ))
  (( segid "SEGA" and resid 94  and name HD1  ))
     6 6 0 peak 15962 weight  0.1000E+01 volume 7.53270 ppm1 3.068 ppm2 3.769
ASSI { 15972}
  (( segid "SEGA" and resid 94  and name HG1  ))
  (( segid "SEGA" and resid 94  and name HD1  ))
     6 6 0 peak 15972 weight  0.1000E+01 volume 105.13400 ppm1 2.288 ppm2 3.769
ASSI { 15982}
  (( segid "SEGA" and resid 94  and name HG2  ))
  (( segid "SEGA" and resid 94  and name HD1  ))
     6 6 0 peak 15982 weight  0.1000E+01 volume 69.37850 ppm1 2.131 ppm2 3.767
ASSI { 15992}
  (( segid "SEGA" and resid 26  and name HB1  ))
  (( segid "SEGA" and resid 94  and name HD1  ))
     6 6 0 peak 15992 weight  0.1000E+01 volume 63.43900 ppm1 1.764 ppm2 3.770
ASSI { 16002}
  (( segid "SEGA" and resid 26  and name HB2  ))
  (( segid "SEGA" and resid 94  and name HD1  ))
     6 6 0 peak 16002 weight  0.1000E+01 volume 16.54030 ppm1 1.469 ppm2 3.776
ASSI { 16012}
  (( segid "SEGA" and resid 9  and name HB1  ))
  (( segid "SEGA" and resid 19  and name HA  ))
     6 6 0 peak 16012 weight  0.1000E+01 volume 11.26390 ppm1 1.803 ppm2 5.125
ASSI { 16022}
  (( segid "SEGA" and resid 25  and name HB1  ))
  (( segid "SEGA" and resid 24  and name HA  ))
     6 6 0 peak 16022 weight  0.1000E+01 volume 12.47840 ppm1 2.287 ppm2 5.061
ASSI { 16032}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 24  and name HA  ))
     6 6 0 peak 16032 weight  0.1000E+01 volume 2.84160 ppm1 1.111 ppm2 5.059
ASSI { 16042}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 24  and name HB2  ))
     6 6 0 peak 16042 weight  0.1000E+01 volume 47.39010 ppm1 1.111 ppm2 2.931
ASSI { 16052}
  (( segid "SEGA" and resid 92  and name HG2#  ))
  (( segid "SEGA" and resid 77  and name HD2  ))
     6 6 0 peak 16052 weight  0.1000E+01 volume 29.46800 ppm1 0.900 ppm2 2.939
ASSI { 16062}
  (( segid "SEGA" and resid 80  and name HD1#  ))
  (( segid "SEGA" and resid 52  and name HB2  ))
     6 6 0 peak 16062 weight  0.1000E+01 volume 7.01910 ppm1 0.654 ppm2 2.826
ASSI { 16072}
  (( segid "SEGA" and resid 67  and name HD1#  ))
  (( segid "SEGA" and resid 64  and name HA  ))
     6 6 0 peak 16072 weight  0.1000E+01 volume 17.32820 ppm1 0.905 ppm2 4.824
ASSI { 16082}
  (( segid "SEGA" and resid 18  and name HG2#  ))
  (( segid "SEGA" and resid 64  and name HB1  ))
     6 6 0 peak 16082 weight  0.1000E+01 volume 2.39740 ppm1 -0.204 ppm2 3.107
ASSI { 16102}
  (( segid "SEGA" and resid 90  and name HA  ))
  (( segid "SEGA" and resid 90  and name HB2  ))
     6 6 0 peak 16102 weight  0.1000E+01 volume 11.92620 ppm1 5.580 ppm2 2.508
ASSI { 16112}
  (( segid "SEGA" and resid 16  and name HE1  ))
  (( segid "SEGA" and resid 16  and name HA  ))
     6 6 0 peak 16112 weight  0.1000E+01 volume 8.11720 ppm1 6.923 ppm2 4.911
ASSI { 16122}
  (( segid "SEGA" and resid 39  and name HD2  ))
  (( segid "SEGA" and resid 39  and name HA  ))
     6 6 0 peak 16122 weight  0.1000E+01 volume 16.76640 ppm1 7.296 ppm2 4.908
ASSI { 16132}
  (( segid "SEGA" and resid 10  and name HB1  ))
  (( segid "SEGA" and resid 16  and name HA  ))
     6 6 0 peak 16132 weight  0.1000E+01 volume 17.97660 ppm1 1.644 ppm2 4.906
ASSI { 16142}
  (( segid "SEGA" and resid 59  and name HB#  ))
  (( segid "SEGA" and resid 35  and name HB1  ))
     6 6 0 peak 16142 weight  0.1000E+01 volume 8.85160 ppm1 1.411 ppm2 3.273
ASSI { 16152}
  (( segid "SEGA" and resid 89  and name HD1#  ))
  (( segid "SEGA" and resid 78  and name HA  ))
     6 6 0 peak 16152 weight  0.1000E+01 volume 3.81150 ppm1 0.410 ppm2 5.891
ASSI { 16162}
  (( segid "SEGA" and resid 78  and name HB2  ))
  (( segid "SEGA" and resid 78  and name HB1  ))
     6 6 0 peak 16162 weight  0.1000E+01 volume 7.31110 ppm1 2.600 ppm2 2.853
ASSI { 16172}
  (( segid "SEGA" and resid 89  and name HD1#  ))
  (( segid "SEGA" and resid 78  and name HB2  ))
     6 6 0 peak 16172 weight  0.1000E+01 volume 5.86440 ppm1 0.417 ppm2 2.621
ASSI { 16192}
  (( segid "SEGA" and resid 2  and name HD1  ))
  (( segid "SEGA" and resid 2  and name HA  ))
     6 6 0 peak 16192 weight  0.1000E+01 volume 30.31830 ppm1 7.234 ppm2 5.465
ASSI { 16202}
  (( segid "SEGA" and resid 2  and name HZ  ))
  (( segid "SEGA" and resid 2  and name HA  ))
     6 6 0 peak 16202 weight  0.1000E+01 volume 22.02170 ppm1 6.886 ppm2 5.467
ASSI { 16212}
  (( segid "SEGA" and resid 7  and name HA  ))
  (( segid "SEGA" and resid 2  and name HA  ))
     6 6 0 peak 16212 weight  0.1000E+01 volume 56.78130 ppm1 4.971 ppm2 5.464
ASSI { 16222}
  (( segid "SEGA" and resid 2  and name HB1  ))
  (( segid "SEGA" and resid 2  and name HA  ))
     6 6 0 peak 16222 weight  0.1000E+01 volume 50.07430 ppm1 3.603 ppm2 5.464
ASSI { 16232}
  (( segid "SEGA" and resid 2  and name HB2  ))
  (( segid "SEGA" and resid 2  and name HA  ))
     6 6 0 peak 16232 weight  0.1000E+01 volume 44.81720 ppm1 3.488 ppm2 5.461
ASSI { 16242}
  (( segid "SEGA" and resid 7  and name HB  ))
  (( segid "SEGA" and resid 2  and name HA  ))
     6 6 0 peak 16242 weight  0.1000E+01 volume 11.08250 ppm1 1.734 ppm2 5.455
ASSI { 16252}
  (( segid "SEGA" and resid 7  and name HG12  ))
  (( segid "SEGA" and resid 2  and name HA  ))
     6 6 0 peak 16252 weight  0.1000E+01 volume 27.50430 ppm1 1.908 ppm2 5.467
ASSI { 16262}
  (( segid "SEGA" and resid 7  and name HG2#  ))
  (( segid "SEGA" and resid 2  and name HA  ))
     6 6 0 peak 16262 weight  0.1000E+01 volume 11.49680 ppm1 0.971 ppm2 5.464
ASSI { 16272}
  (( segid "SEGA" and resid 7  and name HD1#  ))
  (( segid "SEGA" and resid 2  and name HA  ))
     6 6 0 peak 16272 weight  0.1000E+01 volume 5.87930 ppm1 0.912 ppm2 5.461
ASSI { 16282}
  (( segid "SEGA" and resid 2  and name HA  ))
  (( segid "SEGA" and resid 2  and name HB2  ))
     6 6 0 peak 16282 weight  0.1000E+01 volume 26.44710 ppm1 5.464 ppm2 3.511
ASSI { 16292}
  (( segid "SEGA" and resid 2  and name HA  ))
  (( segid "SEGA" and resid 2  and name HB1  ))
     6 6 0 peak 16292 weight  0.1000E+01 volume 35.06320 ppm1 5.468 ppm2 3.610
ASSI { 16302}
  (( segid "SEGA" and resid 2  and name HD1  ))
  (( segid "SEGA" and resid 2  and name HB1  ))
     6 6 0 peak 16302 weight  0.1000E+01 volume 12.05160 ppm1 7.236 ppm2 3.610
ASSI { 16312}
  (( segid "SEGA" and resid 2  and name HD1  ))
  (( segid "SEGA" and resid 2  and name HB2  ))
     6 6 0 peak 16312 weight  0.1000E+01 volume 14.18130 ppm1 7.233 ppm2 3.494
ASSI { 16322}
  (( segid "SEGA" and resid 7  and name HA  ))
  (( segid "SEGA" and resid 2  and name HB1  ))
     6 6 0 peak 16322 weight  0.1000E+01 volume 15.91120 ppm1 4.974 ppm2 3.604
ASSI { 16332}
  (( segid "SEGA" and resid 7  and name HA  ))
  (( segid "SEGA" and resid 2  and name HB2  ))
     6 6 0 peak 16332 weight  0.1000E+01 volume 11.85420 ppm1 4.977 ppm2 3.511
ASSI { 16342}
  (( segid "SEGA" and resid 7  and name HG12  ))
  (( segid "SEGA" and resid 2  and name HB1  ))
     6 6 0 peak 16342 weight  0.1000E+01 volume 5.50100 ppm1 1.911 ppm2 3.511
ASSI { 16352}
  (( segid "SEGA" and resid 7  and name HG12  ))
  (( segid "SEGA" and resid 2  and name HB1  ))
     6 6 0 peak 16352 weight  0.1000E+01 volume 4.97610 ppm1 1.914 ppm2 3.604
ASSI { 16362}
  (( segid "SEGA" and resid 7  and name HG2#  ))
  (( segid "SEGA" and resid 2  and name HB1  ))
     6 6 0 peak 16362 weight  0.1000E+01 volume 6.40490 ppm1 0.986 ppm2 3.607
ASSI { 16372}
  (( segid "SEGA" and resid 7  and name HD1#  ))
  (( segid "SEGA" and resid 2  and name HB1  ))
     6 6 0 peak 16372 weight  0.1000E+01 volume 19.85350 ppm1 0.915 ppm2 3.607
ASSI { 16382}
  (( segid "SEGA" and resid 7  and name HD1#  ))
  (( segid "SEGA" and resid 2  and name HB2  ))
     6 6 0 peak 16382 weight  0.1000E+01 volume 11.52180 ppm1 0.915 ppm2 3.503
ASSI { 16392}
  (( segid "SEGA" and resid 6  and name HG2#  ))
  (( segid "SEGA" and resid 20  and name HB#  ))
     6 6 0 peak 16392 weight  0.1000E+01 volume 6.18060 ppm1 0.512 ppm2 2.130
ASSI { 16402}
  (( segid "SEGA" and resid 19  and name HA  ))
  (( segid "SEGA" and resid 100  and name HA  ))
     6 6 0 peak 16402 weight  0.1000E+01 volume 22.39960 ppm1 5.130 ppm2 3.573
ASSI { 16412}
  (( segid "SEGA" and resid 19  and name HD1  ))
  (( segid "SEGA" and resid 100  and name HA  ))
     6 6 0 peak 16412 weight  0.1000E+01 volume 6.18520 ppm1 7.302 ppm2 3.576
ASSI { 16422}
  (( segid "SEGA" and resid 114  and name HD1  ))
  (( segid "SEGA" and resid 114  and name HB2  ))
     6 6 0 peak 16422 weight  0.1000E+01 volume 4.02130 ppm1 3.621 ppm2 2.294
ASSI { 16432}
  (( segid "SEGA" and resid 114  and name HD1  ))
  (( segid "SEGA" and resid 114  and name HB1  ))
     6 6 0 peak 16432 weight  0.1000E+01 volume 8.58830 ppm1 3.625 ppm2 1.910
ASSI { 16442}
  (( segid "SEGA" and resid 114  and name HD2  ))
  (( segid "SEGA" and resid 114  and name HB2  ))
     6 6 0 peak 16442 weight  0.1000E+01 volume 3.25400 ppm1 3.748 ppm2 2.305
ASSI { 16452}
  (( segid "SEGA" and resid 94  and name HD1  ))
  (( segid "SEGA" and resid 94  and name HB2  ))
     6 6 0 peak 16452 weight  0.1000E+01 volume 22.32660 ppm1 3.773 ppm2 2.003
ASSI { 16462}
  (( segid "SEGA" and resid 22  and name HA  ))
  (( segid "SEGA" and resid 97  and name HG11  ))
     6 6 0 peak 16462 weight  0.1000E+01 volume 25.29380 ppm1 4.587 ppm2 1.612
ASSI { 16472}
  (( segid "SEGA" and resid 94  and name HG2  ))
  (( segid "SEGA" and resid 25  and name HA  ))
     6 6 0 peak 16472 weight  0.1000E+01 volume 116.05730 ppm1 2.121 ppm2 4.578
ASSI { 16492}
  (( segid "SEGA" and resid 43  and name HA  ))
  (( segid "SEGA" and resid 46  and name HA  ))
     6 6 0 peak 16492 weight  0.1000E+01 volume 4.55250 ppm1 4.959 ppm2 3.557
ASSI { 16502}
  (( segid "SEGA" and resid 51  and name HD2#  ))
  (( segid "SEGA" and resid 43  and name HB1  ))
     6 6 0 peak 16502 weight  0.1000E+01 volume 6.97040 ppm1 0.088 ppm2 3.524
ASSI { 16512}
  (( segid "SEGA" and resid 50  and name HB1  ))
  (( segid "SEGA" and resid 49  and name HA  ))
     6 6 0 peak 16512 weight  0.1000E+01 volume 13.30490 ppm1 3.187 ppm2 4.395
ASSI { 16522}
  (( segid "SEGA" and resid 76  and name HA  ))
  (( segid "SEGA" and resid 91  and name HA  ))
     6 6 0 peak 16522 weight  0.1000E+01 volume 37.75460 ppm1 5.067 ppm2 4.617
ASSI { 16532}
  (( segid "SEGA" and resid 93  and name HA  ))
  (( segid "SEGA" and resid 94  and name HD1  ))
     6 6 0 peak 16532 weight  0.1000E+01 volume 70.61790 ppm1 4.696 ppm2 3.765
ASSI { 16542}
  (( segid "SEGA" and resid 60  and name HB2  ))
  (( segid "SEGA" and resid 60  and name HB1  ))
     6 6 0 peak 16542 weight  0.1000E+01 volume 13.95440 ppm1 2.265 ppm2 2.558
ASSI { 16552}
  (( segid "SEGA" and resid 60  and name HE#  ))
  (( segid "SEGA" and resid 60  and name HB1  ))
     6 6 0 peak 16552 weight  0.1000E+01 volume 21.82090 ppm1 1.846 ppm2 2.551
ASSI { 16562}
  (( segid "SEGA" and resid 60  and name HB1  ))
  (( segid "SEGA" and resid 60  and name HB2  ))
     6 6 0 peak 16562 weight  0.1000E+01 volume 7.08840 ppm1 2.557 ppm2 2.274
ASSI { 16572}
  (( segid "SEGA" and resid 60  and name HA  ))
  (( segid "SEGA" and resid 60  and name HB2  ))
     6 6 0 peak 16572 weight  0.1000E+01 volume 13.97070 ppm1 4.983 ppm2 2.291
ASSI { 16582}
  (( segid "SEGA" and resid 68  and name HD1  ))
  (( segid "SEGA" and resid 18  and name HB  ))
     6 6 0 peak 16582 weight  0.1000E+01 volume 3.78160 ppm1 7.528 ppm2 1.400
ASSI { 16592}
  (( segid "SEGA" and resid 68  and name HE1  ))
  (( segid "SEGA" and resid 18  and name HB  ))
     6 6 0 peak 16592 weight  0.1000E+01 volume 11.59220 ppm1 6.858 ppm2 1.397
ASSI { 16602}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 30  and name HG2#  ))
     6 6 0 peak 16602 weight  0.1000E+01 volume 20.07220 ppm1 7.487 ppm2 0.444
ASSI { 16612}
  (( segid "SEGA" and resid 37  and name HG2#  ))
  (( segid "SEGA" and resid 85  and name HE1  ))
     6 6 0 peak 16612 weight  0.1000E+01 volume 42.04650 ppm1 0.955 ppm2 3.186
ASSI { 16622}
  (( segid "SEGA" and resid 37  and name HG1#  ))
  (( segid "SEGA" and resid 85  and name HE1  ))
     6 6 0 peak 16622 weight  0.1000E+01 volume 25.96010 ppm1 1.093 ppm2 3.189
ASSI { 16632}
  (( segid "SEGA" and resid 92  and name HA  ))
  (( segid "SEGA" and resid 26  and name HA  ))
     6 6 0 peak 16632 weight  0.1000E+01 volume 7.92890 ppm1 4.707 ppm2 3.634
ASSI { 16652}
  (( segid "SEGA" and resid 95  and name HD1#  ))
  (( segid "SEGA" and resid 99  and name HB1  ))
     6 6 0 peak 16652 weight  0.1000E+01 volume 9.74460 ppm1 0.683 ppm2 2.293
ASSI { 16662}
  (( segid "SEGA" and resid 101  and name HG11  ))
  (( segid "SEGA" and resid 100  and name HA  ))
     6 6 0 peak 16662 weight  0.1000E+01 volume 18.52780 ppm1 1.825 ppm2 3.545
ASSI { 16682}
  (( segid "SEGA" and resid 42  and name HA  ))
  (( segid "SEGA" and resid 45  and name HG2#  ))
     6 6 0 peak 16682 weight  0.1000E+01 volume 124.88760 ppm1 4.661 ppm2 1.278
ASSI { 16692}
  (( segid "SEGA" and resid 116  and name HD1#  ))
  (( segid "SEGA" and resid 117  and name HG2#  ))
     6 6 0 peak 16692 weight  0.1000E+01 volume 8.61830 ppm1 0.965 ppm2 1.259
ASSI { 16702}
  (( segid "SEGA" and resid 68  and name HD1  ))
  (( segid "SEGA" and resid 101  and name HB  ))
     6 6 0 peak 16702 weight  0.1000E+01 volume 2.74970 ppm1 7.534 ppm2 1.782
ASSI { 16712}
  (( segid "SEGA" and resid 58  and name HA  ))
  (( segid "SEGA" and resid 84  and name HD2#  ))
     6 6 0 peak 16712 weight  0.1000E+01 volume 13.59500 ppm1 5.634 ppm2 0.884
ASSI { 16722}
  (( segid "SEGA" and resid 53  and name HA  ))
  (( segid "SEGA" and resid 84  and name HD2#  ))
     6 6 0 peak 16722 weight  0.1000E+01 volume 14.79220 ppm1 5.486 ppm2 0.876
ASSI { 16732}
  (( segid "SEGA" and resid 84  and name HA  ))
  (( segid "SEGA" and resid 84  and name HD1#  ))
     6 6 0 peak 16732 weight  0.1000E+01 volume 19.11890 ppm1 3.668 ppm2 0.869
ASSI { 16742}
  (( segid "SEGA" and resid 57  and name HG1  ))
  (( segid "SEGA" and resid 84  and name HD2#  ))
     6 6 0 peak 16742 weight  0.1000E+01 volume 11.63810 ppm1 2.743 ppm2 0.870
ASSI { 16752}
  (( segid "SEGA" and resid 85  and name HE1  ))
  (( segid "SEGA" and resid 84  and name HD2#  ))
     6 6 0 peak 16752 weight  0.1000E+01 volume 10.22170 ppm1 3.212 ppm2 0.895
ASSI { 16762}
  (( segid "SEGA" and resid 57  and name HG2  ))
  (( segid "SEGA" and resid 84  and name HD2#  ))
     6 6 0 peak 16762 weight  0.1000E+01 volume 9.77350 ppm1 2.518 ppm2 0.881
ASSI { 16772}
  (( segid "SEGA" and resid 84  and name HB1  ))
  (( segid "SEGA" and resid 84  and name HD2#  ))
     6 6 0 peak 16772 weight  0.1000E+01 volume 26.66820 ppm1 2.265 ppm2 0.875
ASSI { 16782}
  (( segid "SEGA" and resid 57  and name HB2  ))
  (( segid "SEGA" and resid 84  and name HD2#  ))
     6 6 0 peak 16782 weight  0.1000E+01 volume 21.47520 ppm1 1.814 ppm2 0.879
ASSI { 16792}
  (( segid "SEGA" and resid 84  and name HB2  ))
  (( segid "SEGA" and resid 84  and name HD2#  ))
     6 6 0 peak 16792 weight  0.1000E+01 volume 52.71060 ppm1 1.706 ppm2 0.879
ASSI { 16802}
  (( segid "SEGA" and resid 84  and name HG  ))
  (( segid "SEGA" and resid 84  and name HD2#  ))
     6 6 0 peak 16802 weight  0.1000E+01 volume 65.22410 ppm1 1.537 ppm2 0.879
ASSI { 16812}
  (( segid "SEGA" and resid 59  and name HB#  ))
  (( segid "SEGA" and resid 84  and name HD2#  ))
     6 6 0 peak 16812 weight  0.1000E+01 volume 17.00430 ppm1 1.402 ppm2 0.878
ASSI { 16822}
  (( segid "SEGA" and resid 37  and name HG1#  ))
  (( segid "SEGA" and resid 84  and name HD2#  ))
     6 6 0 peak 16822 weight  0.1000E+01 volume 49.23530 ppm1 1.097 ppm2 0.873
ASSI { 16832}
  (( segid "SEGA" and resid 80  and name HD1#  ))
  (( segid "SEGA" and resid 84  and name HD2#  ))
     6 6 0 peak 16832 weight  0.1000E+01 volume 17.14700 ppm1 0.661 ppm2 0.873
ASSI { 16842}
  (( segid "SEGA" and resid 80  and name HA  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 16842 weight  0.1000E+01 volume 31.02730 ppm1 5.344 ppm2 0.656
ASSI { 16852}
  (( segid "SEGA" and resid 80  and name HA  ))
  (( segid "SEGA" and resid 80  and name HD2#  ))
     6 6 0 peak 16852 weight  0.1000E+01 volume 17.59200 ppm1 5.339 ppm2 0.585
ASSI { 16862}
  (( segid "SEGA" and resid 19  and name HZ  ))
  (( segid "SEGA" and resid 11  and name HA  ))
     6 6 0 peak 16862 weight  0.1000E+01 volume 21.84570 ppm1 7.252 ppm2 5.368
ASSI { 16872}
  (( segid "SEGA" and resid 12  and name HD1  ))
  (( segid "SEGA" and resid 11  and name HA  ))
     6 6 0 peak 16872 weight  0.1000E+01 volume 17.72080 ppm1 4.207 ppm2 5.368
ASSI { 16882}
  (( segid "SEGA" and resid 12  and name HD2  ))
  (( segid "SEGA" and resid 11  and name HA  ))
     6 6 0 peak 16882 weight  0.1000E+01 volume 14.78320 ppm1 4.044 ppm2 5.370
ASSI { 16892}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 84  and name HG  ))
     6 6 0 peak 16892 weight  0.1000E+01 volume 63.67800 ppm1 0.865 ppm2 1.544
ASSI { 16902}
  (( segid "SEGA" and resid 84  and name HA  ))
  (( segid "SEGA" and resid 84  and name HG  ))
     6 6 0 peak 16902 weight  0.1000E+01 volume 12.50560 ppm1 3.656 ppm2 1.542
ASSI { 16912}
  (( segid "SEGA" and resid 62  and name HD2#  ))
  (( segid "SEGA" and resid 62  and name HG  ))
     6 6 0 peak 16912 weight  0.1000E+01 volume 59.08480 ppm1 0.737 ppm2 1.677
ASSI { 16922}
  (( segid "SEGA" and resid 36  and name HD1#  ))
  (( segid "SEGA" and resid 62  and name HD1#  ))
     6 6 0 peak 16922 weight  0.1000E+01 volume 26.25860 ppm1 0.267 ppm2 0.770
ASSI { 16932}
  (( segid "SEGA" and resid 62  and name HG  ))
  (( segid "SEGA" and resid 62  and name HD1#  ))
     6 6 0 peak 16932 weight  0.1000E+01 volume 130.38251 ppm1 1.682 ppm2 0.773
ASSI { 16942}
  (( segid "SEGA" and resid 46  and name HA  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 16942 weight  0.1000E+01 volume 15.42760 ppm1 3.538 ppm2 -0.088
ASSI { 16952}
  (( segid "SEGA" and resid 88  and name HA  ))
  (( segid "SEGA" and resid 88  and name HD1  ))
     6 6 0 peak 16952 weight  0.1000E+01 volume 21.28460 ppm1 5.187 ppm2 3.217
ASSI { 16962}
  (( segid "SEGA" and resid 81  and name HG2#  ))
  (( segid "SEGA" and resid 82  and name HB#  ))
     6 6 0 peak 16962 weight  0.1000E+01 volume 12.70040 ppm1 1.275 ppm2 1.540
ASSI { 16972}
  (( segid "SEGA" and resid 85  and name HE1  ))
  (( segid "SEGA" and resid 85  and name HG1  ))
     6 6 0 peak 16972 weight  0.1000E+01 volume 32.63500 ppm1 3.185 ppm2 1.703
ASSI { 16982}
  (( segid "SEGA" and resid 85  and name HA  ))
  (( segid "SEGA" and resid 85  and name HG1  ))
     6 6 0 peak 16982 weight  0.1000E+01 volume 34.99560 ppm1 3.866 ppm2 1.693
ASSI { 16992}
  (( segid "SEGA" and resid 37  and name HG2#  ))
  (( segid "SEGA" and resid 85  and name HG1  ))
     6 6 0 peak 16992 weight  0.1000E+01 volume 8.20420 ppm1 0.956 ppm2 1.698
ASSI { 17002}
  (( segid "SEGA" and resid 113  and name HD1  ))
  (( segid "SEGA" and resid 113  and name HG1  ))
     6 6 0 peak 17002 weight  0.1000E+01 volume 21.66330 ppm1 3.031 ppm2 1.601
ASSI { 17012}
  (( segid "SEGA" and resid 114  and name HD1  ))
  (( segid "SEGA" and resid 113  and name HG1  ))
     6 6 0 peak 17012 weight  0.1000E+01 volume 3.24730 ppm1 3.628 ppm2 1.606
ASSI { 17022}
  (( segid "SEGA" and resid 113  and name HA  ))
  (( segid "SEGA" and resid 113  and name HG1  ))
     6 6 0 peak 17022 weight  0.1000E+01 volume 2.50770 ppm1 4.597 ppm2 1.600
ASSI { 17032}
  (( segid "SEGA" and resid 114  and name HD2  ))
  (( segid "SEGA" and resid 113  and name HG1  ))
     6 6 0 peak 17032 weight  0.1000E+01 volume 5.17460 ppm1 3.761 ppm2 1.596
ASSI { 17042}
  (( segid "SEGA" and resid 113  and name HB1  ))
  (( segid "SEGA" and resid 113  and name HG1  ))
     6 6 0 peak 17042 weight  0.1000E+01 volume 45.18870 ppm1 1.836 ppm2 1.598
ASSI { 17052}
  (( segid "SEGA" and resid 113  and name HA  ))
  (( segid "SEGA" and resid 113  and name HD1  ))
     6 6 0 peak 17052 weight  0.1000E+01 volume 6.98710 ppm1 4.568 ppm2 3.057
ASSI { 17062}
  (( segid "SEGA" and resid 113  and name HB1  ))
  (( segid "SEGA" and resid 113  and name HD1  ))
     6 6 0 peak 17062 weight  0.1000E+01 volume 25.66510 ppm1 1.831 ppm2 3.046
ASSI { 17072}
  (( segid "SEGA" and resid 113  and name HG1  ))
  (( segid "SEGA" and resid 113  and name HD1  ))
     6 6 0 peak 17072 weight  0.1000E+01 volume 55.12610 ppm1 1.606 ppm2 3.060
ASSI { 17082}
  (( segid "SEGA" and resid 113  and name HG1  ))
  (( segid "SEGA" and resid 113  and name HB1  ))
     6 6 0 peak 17082 weight  0.1000E+01 volume 32.97640 ppm1 1.611 ppm2 1.838
ASSI { 17092}
  (( segid "SEGA" and resid 113  and name HA  ))
  (( segid "SEGA" and resid 113  and name HB1  ))
     6 6 0 peak 17092 weight  0.1000E+01 volume 19.91850 ppm1 4.607 ppm2 1.815
ASSI { 17102}
  (( segid "SEGA" and resid 113  and name HA  ))
  (( segid "SEGA" and resid 114  and name HD1  ))
     6 6 0 peak 17102 weight  0.1000E+01 volume 29.85790 ppm1 4.602 ppm2 3.633
ASSI { 17112}
  (( segid "SEGA" and resid 113  and name HA  ))
  (( segid "SEGA" and resid 114  and name HD2  ))
     6 6 0 peak 17112 weight  0.1000E+01 volume 16.36330 ppm1 4.604 ppm2 3.753
ASSI { 17122}
  (( segid "SEGA" and resid 114  and name HD1  ))
  (( segid "SEGA" and resid 114  and name HD2  ))
     6 6 0 peak 17122 weight  0.1000E+01 volume 47.53500 ppm1 3.629 ppm2 3.759
ASSI { 17132}
  (( segid "SEGA" and resid 114  and name HD2  ))
  (( segid "SEGA" and resid 114  and name HD1  ))
     6 6 0 peak 17132 weight  0.1000E+01 volume 18.09600 ppm1 3.754 ppm2 3.633
ASSI { 17142}
  (( segid "SEGA" and resid 114  and name HA  ))
  (( segid "SEGA" and resid 114  and name HD2  ))
     6 6 0 peak 17142 weight  0.1000E+01 volume 5.95390 ppm1 4.460 ppm2 3.751
ASSI { 17152}
  (( segid "SEGA" and resid 114  and name HA  ))
  (( segid "SEGA" and resid 114  and name HD1  ))
     6 6 0 peak 17152 weight  0.1000E+01 volume 7.18070 ppm1 4.457 ppm2 3.645
ASSI { 17162}
  (( segid "SEGA" and resid 114  and name HB2  ))
  (( segid "SEGA" and resid 114  and name HD1  ))
     6 6 0 peak 17162 weight  0.1000E+01 volume 12.00510 ppm1 2.296 ppm2 3.641
ASSI { 17172}
  (( segid "SEGA" and resid 114  and name HG1  ))
  (( segid "SEGA" and resid 114  and name HD2  ))
     6 6 0 peak 17172 weight  0.1000E+01 volume 17.73940 ppm1 1.998 ppm2 3.751
ASSI { 17182}
  (( segid "SEGA" and resid 114  and name HG1  ))
  (( segid "SEGA" and resid 114  and name HD1  ))
     6 6 0 peak 17182 weight  0.1000E+01 volume 16.14670 ppm1 2.002 ppm2 3.630
ASSI { 17192}
  (( segid "SEGA" and resid 113  and name HG1  ))
  (( segid "SEGA" and resid 114  and name HD1  ))
     6 6 0 peak 17192 weight  0.1000E+01 volume 4.63050 ppm1 1.603 ppm2 3.625
ASSI { 17202}
  (( segid "SEGA" and resid 113  and name HB2  ))
  (( segid "SEGA" and resid 114  and name HD1  ))
     6 6 0 peak 17202 weight  0.1000E+01 volume 5.18020 ppm1 1.695 ppm2 3.633
ASSI { 17212}
  (( segid "SEGA" and resid 114  and name HB2  ))
  (( segid "SEGA" and resid 114  and name HA  ))
     6 6 0 peak 17212 weight  0.1000E+01 volume 8.60770 ppm1 2.301 ppm2 4.465
ASSI { 17222}
  (( segid "SEGA" and resid 114  and name HG1  ))
  (( segid "SEGA" and resid 114  and name HA  ))
     6 6 0 peak 17222 weight  0.1000E+01 volume 7.03460 ppm1 2.052 ppm2 4.467
ASSI { 17232}
  (( segid "SEGA" and resid 115  and name HB2  ))
  (( segid "SEGA" and resid 114  and name HA  ))
     6 6 0 peak 17232 weight  0.1000E+01 volume 6.90590 ppm1 1.914 ppm2 4.464
ASSI { 17242}
  (( segid "SEGA" and resid 114  and name HA  ))
  (( segid "SEGA" and resid 114  and name HB2  ))
     6 6 0 peak 17242 weight  0.1000E+01 volume 22.83710 ppm1 4.477 ppm2 2.298
ASSI { 17252}
  (( segid "SEGA" and resid 114  and name HA  ))
  (( segid "SEGA" and resid 114  and name HG1  ))
     6 6 0 peak 17252 weight  0.1000E+01 volume 12.15560 ppm1 4.456 ppm2 2.023
ASSI { 17262}
  (( segid "SEGA" and resid 114  and name HD2  ))
  (( segid "SEGA" and resid 114  and name HG1  ))
     6 6 0 peak 17262 weight  0.1000E+01 volume 13.66550 ppm1 3.745 ppm2 2.030
ASSI { 17272}
  (( segid "SEGA" and resid 114  and name HD1  ))
  (( segid "SEGA" and resid 114  and name HG1  ))
     6 6 0 peak 17272 weight  0.1000E+01 volume 16.23110 ppm1 3.630 ppm2 2.030
ASSI { 17282}
  (( segid "SEGA" and resid 114  and name HB2  ))
  (( segid "SEGA" and resid 114  and name HG1  ))
     6 6 0 peak 17282 weight  0.1000E+01 volume 33.00210 ppm1 2.302 ppm2 2.027
ASSI { 17292}
  (( segid "SEGA" and resid 113  and name HB2  ))
  (( segid "SEGA" and resid 114  and name HG1  ))
     6 6 0 peak 17292 weight  0.1000E+01 volume 8.98850 ppm1 1.723 ppm2 2.002
ASSI { 17302}
  (( segid "SEGA" and resid 95  and name HD1#  ))
  (( segid "SEGA" and resid 95  and name HG11  ))
     6 6 0 peak 17302 weight  0.1000E+01 volume 27.78730 ppm1 0.687 ppm2 2.055
ASSI { 17312}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 95  and name HG11  ))
     6 6 0 peak 17312 weight  0.1000E+01 volume 17.90890 ppm1 1.110 ppm2 2.055
ASSI { 17332}
  (( segid "SEGA" and resid 113  and name HA  ))
  (( segid "SEGA" and resid 113  and name HB2  ))
     6 6 0 peak 17332 weight  0.1000E+01 volume 21.36370 ppm1 4.601 ppm2 1.708
ASSI { 17342}
  (( segid "SEGA" and resid 114  and name HD1  ))
  (( segid "SEGA" and resid 113  and name HB2  ))
     6 6 0 peak 17342 weight  0.1000E+01 volume 10.58970 ppm1 3.629 ppm2 1.716
ASSI { 17352}
  (( segid "SEGA" and resid 114  and name HD1  ))
  (( segid "SEGA" and resid 113  and name HB1  ))
     6 6 0 peak 17352 weight  0.1000E+01 volume 9.83230 ppm1 3.629 ppm2 1.806
ASSI { 17362}
  (( segid "SEGA" and resid 113  and name HB2  ))
  (( segid "SEGA" and resid 113  and name HD1  ))
     6 6 0 peak 17362 weight  0.1000E+01 volume 37.76610 ppm1 1.697 ppm2 3.057
ASSI { 17372}
  (( segid "SEGA" and resid 16  and name HE1  ))
  (( segid "SEGA" and resid 10  and name HB1  ))
     6 6 0 peak 17372 weight  0.1000E+01 volume 9.49600 ppm1 6.915 ppm2 1.643
ASSI { 17382}
  (( segid "SEGA" and resid 16  and name HA  ))
  (( segid "SEGA" and resid 10  and name HB1  ))
     6 6 0 peak 17382 weight  0.1000E+01 volume 14.84540 ppm1 4.898 ppm2 1.659
ASSI { 17392}
  (( segid "SEGA" and resid 10  and name HA  ))
  (( segid "SEGA" and resid 10  and name HB1  ))
     6 6 0 peak 17392 weight  0.1000E+01 volume 35.56900 ppm1 3.998 ppm2 1.650
ASSI { 17402}
  (( segid "SEGA" and resid 10  and name HE1  ))
  (( segid "SEGA" and resid 10  and name HB1  ))
     6 6 0 peak 17402 weight  0.1000E+01 volume 15.93180 ppm1 2.907 ppm2 1.649
ASSI { 17422}
  (( segid "SEGA" and resid 10  and name HG1  ))
  (( segid "SEGA" and resid 10  and name HB1  ))
     6 6 0 peak 17422 weight  0.1000E+01 volume 35.80410 ppm1 1.378 ppm2 1.647
ASSI { 17432}
  (( segid "SEGA" and resid 75  and name HB2  ))
  (( segid "SEGA" and resid 75  and name HA  ))
     6 6 0 peak 17432 weight  0.1000E+01 volume 26.19690 ppm1 2.884 ppm2 4.646
ASSI { 17482}
  (( segid "SEGA" and resid 93  and name HG2  ))
  (( segid "SEGA" and resid 75  and name HA  ))
     6 6 0 peak 17482 weight  0.1000E+01 volume 19.95810 ppm1 1.496 ppm2 4.641
ASSI { 17492}
  (( segid "SEGA" and resid 92  and name HG11  ))
  (( segid "SEGA" and resid 75  and name HA  ))
     6 6 0 peak 17492 weight  0.1000E+01 volume 13.79480 ppm1 1.133 ppm2 4.644
ASSI { 17502}
  (( segid "SEGA" and resid 92  and name HD1#  ))
  (( segid "SEGA" and resid 75  and name HA  ))
     6 6 0 peak 17502 weight  0.1000E+01 volume 9.62980 ppm1 0.819 ppm2 4.642
ASSI { 17512}
  (( segid "SEGA" and resid 92  and name HG12  ))
  (( segid "SEGA" and resid 75  and name HA  ))
     6 6 0 peak 17512 weight  0.1000E+01 volume 7.31530 ppm1 0.556 ppm2 4.644
ASSI { 17522}
  (( segid "SEGA" and resid 10  and name HB1  ))
  (( segid "SEGA" and resid 10  and name HA  ))
     6 6 0 peak 17522 weight  0.1000E+01 volume 16.64280 ppm1 1.645 ppm2 3.994
ASSI { 17532}
  (( segid "SEGA" and resid 10  and name HG1  ))
  (( segid "SEGA" and resid 10  and name HA  ))
     6 6 0 peak 17532 weight  0.1000E+01 volume 8.79980 ppm1 1.375 ppm2 3.987
ASSI { 17552}
  (( segid "SEGA" and resid 16  and name HA  ))
  (( segid "SEGA" and resid 10  and name HA  ))
     6 6 0 peak 17552 weight  0.1000E+01 volume 18.72580 ppm1 4.878 ppm2 3.997
ASSI { 17562}
  (( segid "SEGA" and resid 10  and name HA  ))
  (( segid "SEGA" and resid 10  and name HG1  ))
     6 6 0 peak 17562 weight  0.1000E+01 volume 3.37500 ppm1 4.000 ppm2 1.371
ASSI { 17582}
  (( segid "SEGA" and resid 22  and name HE2  ))
  (( segid "SEGA" and resid 22  and name HD1  ))
     6 6 0 peak 17582 weight  0.1000E+01 volume 18.45700 ppm1 2.461 ppm2 1.633
ASSI { 17592}
  (( segid "SEGA" and resid 22  and name HE1  ))
  (( segid "SEGA" and resid 22  and name HD1  ))
     6 6 0 peak 17592 weight  0.1000E+01 volume 45.12250 ppm1 2.889 ppm2 1.636
ASSI { 17602}
  (( segid "SEGA" and resid 22  and name HE1  ))
  (( segid "SEGA" and resid 22  and name HD2  ))
     6 6 0 peak 17602 weight  0.1000E+01 volume 144.15070 ppm1 2.902 ppm2 1.431
ASSI { 17612}
  (( segid "SEGA" and resid 22  and name HE2  ))
  (( segid "SEGA" and resid 22  and name HD2  ))
     6 6 0 peak 17612 weight  0.1000E+01 volume 28.96070 ppm1 2.459 ppm2 1.440
ASSI { 17622}
  (( segid "SEGA" and resid 16  and name HD1  ))
  (( segid "SEGA" and resid 10  and name HA  ))
     6 6 0 peak 17622 weight  0.1000E+01 volume 4.21780 ppm1 6.956 ppm2 3.985
ASSI { 17642}
  (( segid "SEGA" and resid 87  and name HE#  ))
  (( segid "SEGA" and resid 89  and name HD1#  ))
     6 6 0 peak 17642 weight  0.1000E+01 volume 18.10930 ppm1 1.580 ppm2 0.390
ASSI { 17652}
  (( segid "SEGA" and resid 62  and name HD1#  ))
  (( segid "SEGA" and resid 61  and name HA  ))
     6 6 0 peak 17652 weight  0.1000E+01 volume 8.41600 ppm1 0.720 ppm2 4.735
ASSI { 17662}
  (( segid "SEGA" and resid 60  and name HB2  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 17662 weight  0.1000E+01 volume 21.74130 ppm1 2.284 ppm2 1.847
ASSI { 17672}
  (( segid "SEGA" and resid 60  and name HB1  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 17672 weight  0.1000E+01 volume 11.86080 ppm1 2.566 ppm2 1.852
ASSI { 17682}
  (( segid "SEGA" and resid 115  and name HB2  ))
  (( segid "SEGA" and resid 115  and name HD2  ))
     6 6 0 peak 17682 weight  0.1000E+01 volume 22.13220 ppm1 1.897 ppm2 3.285
ASSI { 17692}
  (( segid "SEGA" and resid 115  and name HG2  ))
  (( segid "SEGA" and resid 115  and name HD1  ))
     6 6 0 peak 17692 weight  0.1000E+01 volume 124.59240 ppm1 1.679 ppm2 3.277
ASSI { 17702}
  (( segid "SEGA" and resid 92  and name HG2#  ))
  (( segid "SEGA" and resid 77  and name HD1  ))
     6 6 0 peak 17702 weight  0.1000E+01 volume 9.71090 ppm1 0.906 ppm2 3.127
ASSI { 17712}
  (( segid "SEGA" and resid 115  and name HB2  ))
  (( segid "SEGA" and resid 115  and name HG2  ))
     6 6 0 peak 17712 weight  0.1000E+01 volume 64.76920 ppm1 1.901 ppm2 1.682
ASSI { 17722}
  (( segid "SEGA" and resid 115  and name HD2  ))
  (( segid "SEGA" and resid 115  and name HG2  ))
     6 6 0 peak 17722 weight  0.1000E+01 volume 34.59920 ppm1 3.277 ppm2 1.679
ASSI { 17732}
  (( segid "SEGA" and resid 115  and name HA  ))
  (( segid "SEGA" and resid 115  and name HG2  ))
     6 6 0 peak 17732 weight  0.1000E+01 volume 54.65170 ppm1 4.394 ppm2 1.675
ASSI { 17742}
  (( segid "SEGA" and resid 115  and name HB2  ))
  (( segid "SEGA" and resid 115  and name HA  ))
     6 6 0 peak 17742 weight  0.1000E+01 volume 41.10470 ppm1 1.899 ppm2 4.405
ASSI { 17762}
  (( segid "SEGA" and resid 115  and name HG2  ))
  (( segid "SEGA" and resid 115  and name HA  ))
     6 6 0 peak 17762 weight  0.1000E+01 volume 65.93450 ppm1 1.677 ppm2 4.405
ASSI { 17772}
  (( segid "SEGA" and resid 115  and name HA  ))
  (( segid "SEGA" and resid 115  and name HB2  ))
     6 6 0 peak 17772 weight  0.1000E+01 volume 14.90570 ppm1 4.398 ppm2 1.907
ASSI { 17792}
  (( segid "SEGA" and resid 116  and name HD2#  ))
  (( segid "SEGA" and resid 115  and name HG2  ))
     6 6 0 peak 17792 weight  0.1000E+01 volume 31.99980 ppm1 0.915 ppm2 1.676
ASSI { 17802}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 17802 weight  0.1000E+01 volume 7.20390 ppm1 -0.357 ppm2 1.852
ASSI { 17812}
  (( segid "SEGA" and resid 111  and name HA  ))
  (( segid "SEGA" and resid 111  and name HD2#  ))
     6 6 0 peak 17812 weight  0.1000E+01 volume 34.98190 ppm1 4.496 ppm2 0.915
ASSI { 17822}
  (( segid "SEGA" and resid 43  and name HZ3  ))
  (( segid "SEGA" and resid 47  and name HD2#  ))
     6 6 0 peak 17822 weight  0.1000E+01 volume 13.32120 ppm1 7.025 ppm2 0.869
ASSI { 17832}
  (( segid "SEGA" and resid 43  and name HE3  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 17832 weight  0.1000E+01 volume 4.63760 ppm1 8.292 ppm2 0.046
ASSI { 17842}
  (( segid "SEGA" and resid 6  and name HA  ))
  (( segid "SEGA" and resid 21  and name HB2  ))
     6 6 0 peak 17842 weight  0.1000E+01 volume 11.41010 ppm1 5.661 ppm2 1.488
ASSI { 17852}
  (( segid "SEGA" and resid 21  and name HA  ))
  (( segid "SEGA" and resid 21  and name HB2  ))
     6 6 0 peak 17852 weight  0.1000E+01 volume 25.60750 ppm1 4.485 ppm2 1.483
ASSI { 17862}
  (( segid "SEGA" and resid 21  and name HD1  ))
  (( segid "SEGA" and resid 21  and name HB2  ))
     6 6 0 peak 17862 weight  0.1000E+01 volume 12.03970 ppm1 3.436 ppm2 1.483
ASSI { 17872}
  (( segid "SEGA" and resid 21  and name HD2  ))
  (( segid "SEGA" and resid 21  and name HB2  ))
     6 6 0 peak 17872 weight  0.1000E+01 volume 9.29470 ppm1 3.256 ppm2 1.485
ASSI { 17882}
  (( segid "SEGA" and resid 21  and name HB1  ))
  (( segid "SEGA" and resid 21  and name HB2  ))
     6 6 0 peak 17882 weight  0.1000E+01 volume 36.63960 ppm1 1.917 ppm2 1.487
ASSI { 17892}
  (( segid "SEGA" and resid 21  and name HG1  ))
  (( segid "SEGA" and resid 21  and name HB2  ))
     6 6 0 peak 17892 weight  0.1000E+01 volume 24.47600 ppm1 1.716 ppm2 1.487
ASSI { 17902}
  (( segid "SEGA" and resid 6  and name HG1#  ))
  (( segid "SEGA" and resid 21  and name HB2  ))
     6 6 0 peak 17902 weight  0.1000E+01 volume 4.85760 ppm1 0.912 ppm2 1.477
ASSI { 17912}
  (( segid "SEGA" and resid 7  and name HG2#  ))
  (( segid "SEGA" and resid 21  and name HD1  ))
     6 6 0 peak 17912 weight  0.1000E+01 volume 9.61610 ppm1 0.983 ppm2 3.429
ASSI { 17922}
  (( segid "SEGA" and resid 7  and name HG2#  ))
  (( segid "SEGA" and resid 21  and name HD2  ))
     6 6 0 peak 17922 weight  0.1000E+01 volume 12.37560 ppm1 0.985 ppm2 3.250
ASSI { 17932}
  (( segid "SEGA" and resid 7  and name HD1#  ))
  (( segid "SEGA" and resid 21  and name HD2  ))
     6 6 0 peak 17932 weight  0.1000E+01 volume 32.94660 ppm1 0.902 ppm2 3.242
ASSI { 17942}
  (( segid "SEGA" and resid 7  and name HD1#  ))
  (( segid "SEGA" and resid 21  and name HD1  ))
     6 6 0 peak 17942 weight  0.1000E+01 volume 11.25030 ppm1 0.906 ppm2 3.426
ASSI { 17952}
  (( segid "SEGA" and resid 21  and name HB2  ))
  (( segid "SEGA" and resid 21  and name HD1  ))
     6 6 0 peak 17952 weight  0.1000E+01 volume 30.61520 ppm1 1.477 ppm2 3.424
ASSI { 17962}
  (( segid "SEGA" and resid 21  and name HG1  ))
  (( segid "SEGA" and resid 21  and name HD1  ))
     6 6 0 peak 17962 weight  0.1000E+01 volume 25.15770 ppm1 1.722 ppm2 3.426
ASSI { 17972}
  (( segid "SEGA" and resid 21  and name HB2  ))
  (( segid "SEGA" and resid 21  and name HD2  ))
     6 6 0 peak 17972 weight  0.1000E+01 volume 37.21330 ppm1 1.528 ppm2 3.231
ASSI { 17982}
  (( segid "SEGA" and resid 21  and name HG1  ))
  (( segid "SEGA" and resid 21  and name HD2  ))
     6 6 0 peak 17982 weight  0.1000E+01 volume 79.10470 ppm1 1.710 ppm2 3.231
ASSI { 17992}
  (( segid "SEGA" and resid 21  and name HB1  ))
  (( segid "SEGA" and resid 21  and name HD1  ))
     6 6 0 peak 17992 weight  0.1000E+01 volume 17.64520 ppm1 1.914 ppm2 3.426
ASSI { 18002}
  (( segid "SEGA" and resid 21  and name HB1  ))
  (( segid "SEGA" and resid 21  and name HD2  ))
     6 6 0 peak 18002 weight  0.1000E+01 volume 18.82040 ppm1 1.920 ppm2 3.231
ASSI { 18012}
  (( segid "SEGA" and resid 21  and name HD1  ))
  (( segid "SEGA" and resid 21  and name HD2  ))
     6 6 0 peak 18012 weight  0.1000E+01 volume 38.56150 ppm1 3.429 ppm2 3.246
ASSI { 18022}
  (( segid "SEGA" and resid 21  and name HD2  ))
  (( segid "SEGA" and resid 21  and name HD1  ))
     6 6 0 peak 18022 weight  0.1000E+01 volume 92.06340 ppm1 3.252 ppm2 3.426
ASSI { 18032}
  (( segid "SEGA" and resid 7  and name HG2#  ))
  (( segid "SEGA" and resid 21  and name HB2  ))
     6 6 0 peak 18032 weight  0.1000E+01 volume 14.11010 ppm1 0.988 ppm2 1.495
ASSI { 18042}
  (( segid "SEGA" and resid 21  and name HA  ))
  (( segid "SEGA" and resid 21  and name HD1  ))
     6 6 0 peak 18042 weight  0.1000E+01 volume 8.48410 ppm1 4.484 ppm2 3.426
ASSI { 18052}
  (( segid "SEGA" and resid 21  and name HA  ))
  (( segid "SEGA" and resid 21  and name HD2  ))
     6 6 0 peak 18052 weight  0.1000E+01 volume 5.79840 ppm1 4.487 ppm2 3.276
ASSI { 18062}
  (( segid "SEGA" and resid 11  and name HA  ))
  (( segid "SEGA" and resid 12  and name HD1  ))
     6 6 0 peak 18062 weight  0.1000E+01 volume 17.55210 ppm1 5.365 ppm2 4.204
ASSI { 18072}
  (( segid "SEGA" and resid 11  and name HA  ))
  (( segid "SEGA" and resid 12  and name HD2  ))
     6 6 0 peak 18072 weight  0.1000E+01 volume 22.79300 ppm1 5.365 ppm2 4.048
ASSI { 18082}
  (( segid "SEGA" and resid 12  and name HD1  ))
  (( segid "SEGA" and resid 12  and name HD2  ))
     6 6 0 peak 18082 weight  0.1000E+01 volume 40.02560 ppm1 4.207 ppm2 4.045
ASSI { 18092}
  (( segid "SEGA" and resid 12  and name HD2  ))
  (( segid "SEGA" and resid 12  and name HD1  ))
     6 6 0 peak 18092 weight  0.1000E+01 volume 25.51670 ppm1 4.043 ppm2 4.196
ASSI { 18102}
  (( segid "SEGA" and resid 12  and name HG1  ))
  (( segid "SEGA" and resid 12  and name HD2  ))
     6 6 0 peak 18102 weight  0.1000E+01 volume 11.23290 ppm1 2.234 ppm2 4.049
ASSI { 18112}
  (( segid "SEGA" and resid 12  and name HG2  ))
  (( segid "SEGA" and resid 12  and name HD2  ))
     6 6 0 peak 18112 weight  0.1000E+01 volume 28.11850 ppm1 2.152 ppm2 4.046
ASSI { 18122}
  (( segid "SEGA" and resid 12  and name HG1  ))
  (( segid "SEGA" and resid 12  and name HD1  ))
     6 6 0 peak 18122 weight  0.1000E+01 volume 7.33860 ppm1 2.222 ppm2 4.193
ASSI { 18132}
  (( segid "SEGA" and resid 12  and name HG2  ))
  (( segid "SEGA" and resid 12  and name HD1  ))
     6 6 0 peak 18132 weight  0.1000E+01 volume 29.66050 ppm1 2.142 ppm2 4.189
ASSI { 18142}
  (( segid "SEGA" and resid 12  and name HB2  ))
  (( segid "SEGA" and resid 12  and name HD2  ))
     6 6 0 peak 18142 weight  0.1000E+01 volume 4.11670 ppm1 2.481 ppm2 4.052
ASSI { 18152}
  (( segid "SEGA" and resid 12  and name HD1  ))
  (( segid "SEGA" and resid 12  and name HG1  ))
     6 6 0 peak 18152 weight  0.1000E+01 volume 15.82180 ppm1 4.201 ppm2 2.210
ASSI { 18162}
  (( segid "SEGA" and resid 12  and name HD2  ))
  (( segid "SEGA" and resid 12  and name HG1  ))
     6 6 0 peak 18162 weight  0.1000E+01 volume 20.64680 ppm1 4.042 ppm2 2.211
ASSI { 18172}
  (( segid "SEGA" and resid 11  and name HA  ))
  (( segid "SEGA" and resid 12  and name HG2  ))
     6 6 0 peak 18172 weight  0.1000E+01 volume 6.91150 ppm1 5.371 ppm2 2.138
ASSI { 18182}
  (( segid "SEGA" and resid 12  and name HB2  ))
  (( segid "SEGA" and resid 12  and name HG1  ))
     6 6 0 peak 18182 weight  0.1000E+01 volume 14.56370 ppm1 2.475 ppm2 2.216
ASSI { 18192}
  (( segid "SEGA" and resid 11  and name HB1  ))
  (( segid "SEGA" and resid 11  and name HA  ))
     6 6 0 peak 18192 weight  0.1000E+01 volume 5.75310 ppm1 3.812 ppm2 5.361
ASSI { 18202}
  (( segid "SEGA" and resid 12  and name HD2  ))
  (( segid "SEGA" and resid 12  and name HB2  ))
     6 6 0 peak 18202 weight  0.1000E+01 volume 2.96120 ppm1 4.052 ppm2 2.471
ASSI { 18212}
  (( segid "SEGA" and resid 12  and name HD1  ))
  (( segid "SEGA" and resid 12  and name HB2  ))
     6 6 0 peak 18212 weight  0.1000E+01 volume 1.83930 ppm1 4.203 ppm2 2.457
ASSI { 18222}
  (( segid "SEGA" and resid 12  and name HD2  ))
  (( segid "SEGA" and resid 12  and name HG2  ))
     6 6 0 peak 18222 weight  0.1000E+01 volume 12.95350 ppm1 4.042 ppm2 2.112
ASSI { 18232}
  (( segid "SEGA" and resid 12  and name HD1  ))
  (( segid "SEGA" and resid 12  and name HG2  ))
     6 6 0 peak 18232 weight  0.1000E+01 volume 8.19960 ppm1 4.192 ppm2 2.111
ASSI { 18242}
  (( segid "SEGA" and resid 11  and name HA  ))
  (( segid "SEGA" and resid 12  and name HG1  ))
     6 6 0 peak 18242 weight  0.1000E+01 volume 10.04430 ppm1 5.371 ppm2 2.210
ASSI { 18252}
  (( segid "SEGA" and resid 12  and name HA  ))
  (( segid "SEGA" and resid 12  and name HG1  ))
     6 6 0 peak 18252 weight  0.1000E+01 volume 16.31630 ppm1 4.595 ppm2 2.224
ASSI { 18262}
  (( segid "SEGA" and resid 12  and name HA  ))
  (( segid "SEGA" and resid 12  and name HG2  ))
     6 6 0 peak 18262 weight  0.1000E+01 volume 10.07060 ppm1 4.592 ppm2 2.130
ASSI { 18272}
  (( segid "SEGA" and resid 12  and name HB2  ))
  (( segid "SEGA" and resid 12  and name HB1  ))
     6 6 0 peak 18272 weight  0.1000E+01 volume 10.17350 ppm1 2.470 ppm2 2.112
ASSI { 18282}
  (( segid "SEGA" and resid 13  and name HB2  ))
  (( segid "SEGA" and resid 12  and name HG2  ))
     6 6 0 peak 18282 weight  0.1000E+01 volume 9.70710 ppm1 1.676 ppm2 2.123
ASSI { 18292}
  (( segid "SEGA" and resid 19  and name HZ  ))
  (( segid "SEGA" and resid 12  and name HD2  ))
     6 6 0 peak 18292 weight  0.1000E+01 volume 23.36020 ppm1 7.255 ppm2 4.045
ASSI { 18302}
  (( segid "SEGA" and resid 19  and name HZ  ))
  (( segid "SEGA" and resid 12  and name HD1  ))
     6 6 0 peak 18302 weight  0.1000E+01 volume 16.38750 ppm1 7.260 ppm2 4.194
ASSI { 18312}
  (( segid "SEGA" and resid 19  and name HZ  ))
  (( segid "SEGA" and resid 12  and name HG1  ))
     6 6 0 peak 18312 weight  0.1000E+01 volume 7.11200 ppm1 7.255 ppm2 2.210
ASSI { 18322}
  (( segid "SEGA" and resid 19  and name HZ  ))
  (( segid "SEGA" and resid 12  and name HG2  ))
     6 6 0 peak 18322 weight  0.1000E+01 volume 7.16280 ppm1 7.252 ppm2 2.111
ASSI { 18332}
  (( segid "SEGA" and resid 94  and name HD1  ))
  (( segid "SEGA" and resid 93  and name HB2  ))
     6 6 0 peak 18332 weight  0.1000E+01 volume 19.32420 ppm1 3.778 ppm2 2.173
ASSI { 18342}
  (( segid "SEGA" and resid 93  and name HE2  ))
  (( segid "SEGA" and resid 93  and name HB2  ))
     6 6 0 peak 18342 weight  0.1000E+01 volume 9.59520 ppm1 3.082 ppm2 2.167
ASSI { 18352}
  (( segid "SEGA" and resid 93  and name HA  ))
  (( segid "SEGA" and resid 93  and name HB2  ))
     6 6 0 peak 18352 weight  0.1000E+01 volume 9.54860 ppm1 4.684 ppm2 2.168
ASSI { 18362}
  (( segid "SEGA" and resid 93  and name HG2  ))
  (( segid "SEGA" and resid 93  and name HB2  ))
     6 6 0 peak 18362 weight  0.1000E+01 volume 19.59920 ppm1 1.492 ppm2 2.168
ASSI { 18372}
  (( segid "SEGA" and resid 93  and name HB1  ))
  (( segid "SEGA" and resid 93  and name HB2  ))
     6 6 0 peak 18372 weight  0.1000E+01 volume 33.40450 ppm1 1.766 ppm2 2.168
ASSI { 18382}
  (( segid "SEGA" and resid 93  and name HB2  ))
  (( segid "SEGA" and resid 93  and name HE2  ))
     6 6 0 peak 18382 weight  0.1000E+01 volume 26.80500 ppm1 2.159 ppm2 3.069
ASSI { 18392}
  (( segid "SEGA" and resid 12  and name HB2  ))
  (( segid "SEGA" and resid 12  and name HA  ))
     6 6 0 peak 18392 weight  0.1000E+01 volume 27.21590 ppm1 2.483 ppm2 4.613
ASSI { 18402}
  (( segid "SEGA" and resid 12  and name HB1  ))
  (( segid "SEGA" and resid 12  and name HA  ))
     6 6 0 peak 18402 weight  0.1000E+01 volume 14.25830 ppm1 2.131 ppm2 4.610
ASSI { 18412}
  (( segid "SEGA" and resid 12  and name HG1  ))
  (( segid "SEGA" and resid 12  and name HA  ))
     6 6 0 peak 18412 weight  0.1000E+01 volume 5.00440 ppm1 2.238 ppm2 4.607
ASSI { 18422}
  (( segid "SEGA" and resid 11  and name HA  ))
  (( segid "SEGA" and resid 11  and name HB1  ))
     6 6 0 peak 18422 weight  0.1000E+01 volume 10.16860 ppm1 5.373 ppm2 3.800
ASSI { 18432}
  (( segid "SEGA" and resid 11  and name HB2  ))
  (( segid "SEGA" and resid 11  and name HB1  ))
     6 6 0 peak 18432 weight  0.1000E+01 volume 14.89810 ppm1 3.320 ppm2 3.808
ASSI { 18442}
  (( segid "SEGA" and resid 11  and name HA  ))
  (( segid "SEGA" and resid 11  and name HB2  ))
     6 6 0 peak 18442 weight  0.1000E+01 volume 5.56310 ppm1 5.365 ppm2 3.323
ASSI { 18452}
  (( segid "SEGA" and resid 11  and name HB1  ))
  (( segid "SEGA" and resid 11  and name HB2  ))
     6 6 0 peak 18452 weight  0.1000E+01 volume 22.95020 ppm1 3.818 ppm2 3.319
ASSI { 18462}
  (( segid "SEGA" and resid 19  and name HZ  ))
  (( segid "SEGA" and resid 11  and name HB2  ))
     6 6 0 peak 18462 weight  0.1000E+01 volume 9.75780 ppm1 7.259 ppm2 3.336
ASSI { 18472}
  (( segid "SEGA" and resid 12  and name HD1  ))
  (( segid "SEGA" and resid 12  and name HB1  ))
     6 6 0 peak 18472 weight  0.1000E+01 volume 11.99370 ppm1 4.214 ppm2 2.089
ASSI { 18482}
  (( segid "SEGA" and resid 22  and name HG1  ))
  (( segid "SEGA" and resid 22  and name HD1  ))
     6 6 0 peak 18482 weight  0.1000E+01 volume 24.55180 ppm1 0.545 ppm2 1.632
ASSI { 18492}
  (( segid "SEGA" and resid 5  and name HA  ))
  (( segid "SEGA" and resid 22  and name HD2  ))
     6 6 0 peak 18492 weight  0.1000E+01 volume 22.48280 ppm1 4.424 ppm2 1.441
ASSI { 18502}
  (( segid "SEGA" and resid 1  and name HA  ))
  (( segid "SEGA" and resid 1  and name HE#  ))
     6 6 0 peak 18502 weight  0.1000E+01 volume 15.44450 ppm1 3.905 ppm2 1.717
ASSI { 18512}
  (( segid "SEGA" and resid 57  and name HE#  ))
  (( segid "SEGA" and resid 84  and name HD2#  ))
     6 6 0 peak 18512 weight  0.1000E+01 volume 30.57490 ppm1 2.082 ppm2 0.875
ASSI { 18522}
  (( segid "SEGA" and resid 39  and name HA  ))
  (( segid "SEGA" and resid 39  and name HB2  ))
     6 6 0 peak 18522 weight  0.1000E+01 volume 15.34640 ppm1 4.946 ppm2 3.163
ASSI { 18532}
  (( segid "SEGA" and resid 39  and name HB2  ))
  (( segid "SEGA" and resid 39  and name HB1  ))
     6 6 0 peak 18532 weight  0.1000E+01 volume 33.12620 ppm1 3.171 ppm2 3.279
ASSI { 18542}
  (( segid "SEGA" and resid 57  and name HG2  ))
  (( segid "SEGA" and resid 39  and name HA  ))
     6 6 0 peak 18542 weight  0.1000E+01 volume 4.03850 ppm1 2.526 ppm2 4.928
ASSI { 18552}
  (( segid "SEGA" and resid 57  and name HE#  ))
  (( segid "SEGA" and resid 39  and name HA  ))
     6 6 0 peak 18552 weight  0.1000E+01 volume 9.04890 ppm1 2.097 ppm2 4.925
ASSI { 18562}
  (( segid "SEGA" and resid 57  and name HA  ))
  (( segid "SEGA" and resid 39  and name HA  ))
     6 6 0 peak 18562 weight  0.1000E+01 volume 14.81030 ppm1 5.025 ppm2 4.921
ASSI { 18572}
  (( segid "SEGA" and resid 39  and name HD2  ))
  (( segid "SEGA" and resid 39  and name HB2  ))
     6 6 0 peak 18572 weight  0.1000E+01 volume 8.51200 ppm1 7.299 ppm2 3.180
ASSI { 18582}
  (( segid "SEGA" and resid 73  and name HA  ))
  (( segid "SEGA" and resid 74  and name HD1  ))
     6 6 0 peak 18582 weight  0.1000E+01 volume 7.00180 ppm1 5.107 ppm2 3.667
ASSI { 18592}
  (( segid "SEGA" and resid 73  and name HA  ))
  (( segid "SEGA" and resid 74  and name HD2  ))
     6 6 0 peak 18592 weight  0.1000E+01 volume 6.67490 ppm1 5.101 ppm2 3.398
ASSI { 18602}
  (( segid "SEGA" and resid 74  and name HD2  ))
  (( segid "SEGA" and resid 74  and name HD1  ))
     6 6 0 peak 18602 weight  0.1000E+01 volume 29.84130 ppm1 3.393 ppm2 3.660
ASSI { 18612}
  (( segid "SEGA" and resid 74  and name HD2  ))
  (( segid "SEGA" and resid 74  and name HG1  ))
     6 6 0 peak 18612 weight  0.1000E+01 volume 11.94250 ppm1 3.395 ppm2 1.953
ASSI { 18622}
  (( segid "SEGA" and resid 73  and name HA  ))
  (( segid "SEGA" and resid 74  and name HG1  ))
     6 6 0 peak 18622 weight  0.1000E+01 volume 7.09500 ppm1 5.086 ppm2 1.953
ASSI { 18632}
  (( segid "SEGA" and resid 74  and name HG1  ))
  (( segid "SEGA" and resid 74  and name HD2  ))
     6 6 0 peak 18632 weight  0.1000E+01 volume 17.46110 ppm1 1.975 ppm2 3.384
ASSI { 18642}
  (( segid "SEGA" and resid 74  and name HD1  ))
  (( segid "SEGA" and resid 74  and name HD2  ))
     6 6 0 peak 18642 weight  0.1000E+01 volume 15.86470 ppm1 3.655 ppm2 3.393
ASSI { 18652}
  (( segid "SEGA" and resid 29  and name HD1#  ))
  (( segid "SEGA" and resid 32  and name HA  ))
     6 6 0 peak 18652 weight  0.1000E+01 volume 6.75390 ppm1 0.379 ppm2 5.341
ASSI { 18672}
  (( segid "SEGA" and resid 116  and name HD2#  ))
  (( segid "SEGA" and resid 116  and name HB1  ))
     6 6 0 peak 18672 weight  0.1000E+01 volume 34.88580 ppm1 0.840 ppm2 1.581
ASSI { 18682}
  (( segid "SEGA" and resid 116  and name HD1#  ))
  (( segid "SEGA" and resid 116  and name HB1  ))
     6 6 0 peak 18682 weight  0.1000E+01 volume 23.06230 ppm1 1.006 ppm2 1.586
ASSI { 18692}
  (( segid "SEGA" and resid 29  and name HD1#  ))
  (( segid "SEGA" and resid 29  and name HG  ))
     6 6 0 peak 18692 weight  0.1000E+01 volume 27.83620 ppm1 0.363 ppm2 1.186
ASSI { 18702}
  (( segid "SEGA" and resid 29  and name HD2#  ))
  (( segid "SEGA" and resid 29  and name HG  ))
     6 6 0 peak 18702 weight  0.1000E+01 volume 45.90580 ppm1 0.916 ppm2 1.187
ASSI { 18712}
  (( segid "SEGA" and resid 29  and name HB2  ))
  (( segid "SEGA" and resid 29  and name HG  ))
     6 6 0 peak 18712 weight  0.1000E+01 volume 9.19280 ppm1 1.496 ppm2 1.188
ASSI { 18722}
  (( segid "SEGA" and resid 29  and name HA  ))
  (( segid "SEGA" and resid 29  and name HG  ))
     6 6 0 peak 18722 weight  0.1000E+01 volume 14.12220 ppm1 4.108 ppm2 1.186
ASSI { 18732}
  (( segid "SEGA" and resid 29  and name HB1  ))
  (( segid "SEGA" and resid 29  and name HG  ))
     6 6 0 peak 18732 weight  0.1000E+01 volume 24.52780 ppm1 1.967 ppm2 1.186
ASSI { 18742}
  (( segid "SEGA" and resid 88  and name HA  ))
  (( segid "SEGA" and resid 32  and name HA  ))
     6 6 0 peak 18742 weight  0.1000E+01 volume 35.88260 ppm1 5.167 ppm2 5.365
ASSI { 18752}
  (( segid "SEGA" and resid 87  and name HG1  ))
  (( segid "SEGA" and resid 87  and name HA  ))
     6 6 0 peak 18752 weight  0.1000E+01 volume 16.64420 ppm1 2.005 ppm2 5.332
ASSI { 18762}
  (( segid "SEGA" and resid 36  and name HD1#  ))
  (( segid "SEGA" and resid 36  and name HG12  ))
     6 6 0 peak 18762 weight  0.1000E+01 volume 30.21430 ppm1 0.262 ppm2 1.025
ASSI { 18772}
  (( segid "SEGA" and resid 36  and name HA  ))
  (( segid "SEGA" and resid 36  and name HG11  ))
     6 6 0 peak 18772 weight  0.1000E+01 volume 2.13660 ppm1 4.380 ppm2 1.322
ASSI { 18782}
  (( segid "SEGA" and resid 44  and name HA2  ))
  (( segid "SEGA" and resid 44  and name HA1  ))
     6 6 0 peak 18782 weight  0.1000E+01 volume 16.24680 ppm1 4.657 ppm2 4.112
ASSI { 18792}
  (( segid "SEGA" and resid 80  and name HG  ))
  (( segid "SEGA" and resid 80  and name HB1  ))
     6 6 0 peak 18792 weight  0.1000E+01 volume 2.32430 ppm1 1.384 ppm2 1.613
ASSI { 18802}
  (( segid "SEGA" and resid 80  and name HD1#  ))
  (( segid "SEGA" and resid 80  and name HB2  ))
     6 6 0 peak 18802 weight  0.1000E+01 volume 9.42640 ppm1 0.656 ppm2 1.499
ASSI { 18812}
  (( segid "SEGA" and resid 80  and name HD1#  ))
  (( segid "SEGA" and resid 80  and name HB1  ))
     6 6 0 peak 18812 weight  0.1000E+01 volume 3.06950 ppm1 0.657 ppm2 1.608
ASSI { 18822}
  (( segid "SEGA" and resid 87  and name HA  ))
  (( segid "SEGA" and resid 87  and name HB1  ))
     6 6 0 peak 18822 weight  0.1000E+01 volume 5.33360 ppm1 5.317 ppm2 1.448
ASSI { 18832}
  (( segid "SEGA" and resid 87  and name HG1  ))
  (( segid "SEGA" and resid 87  and name HB1  ))
     6 6 0 peak 18832 weight  0.1000E+01 volume 6.27030 ppm1 2.038 ppm2 1.427
ASSI { 18852}
  (( segid "SEGA" and resid 80  and name HD2#  ))
  (( segid "SEGA" and resid 87  and name HB1  ))
     6 6 0 peak 18852 weight  0.1000E+01 volume 6.33030 ppm1 0.595 ppm2 1.422
ASSI { 18862}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 84  and name HB2  ))
     6 6 0 peak 18862 weight  0.1000E+01 volume 50.21950 ppm1 0.865 ppm2 1.698
ASSI { 18882}
  (( segid "SEGA" and resid 85  and name HG2  ))
  (( segid "SEGA" and resid 85  and name HD2  ))
     6 6 0 peak 18882 weight  0.1000E+01 volume 82.27390 ppm1 1.564 ppm2 2.023
ASSI { 18892}
  (( segid "SEGA" and resid 85  and name HB2  ))
  (( segid "SEGA" and resid 85  and name HD1  ))
     6 6 0 peak 18892 weight  0.1000E+01 volume 109.22630 ppm1 1.849 ppm2 2.101
ASSI { 18902}
  (( segid "SEGA" and resid 93  and name HA  ))
  (( segid "SEGA" and resid 26  and name HB1  ))
     6 6 0 peak 18902 weight  0.1000E+01 volume 7.85390 ppm1 4.670 ppm2 1.785
ASSI { 18912}
  (( segid "SEGA" and resid 93  and name HG2  ))
  (( segid "SEGA" and resid 93  and name HB1  ))
     6 6 0 peak 18912 weight  0.1000E+01 volume 18.58880 ppm1 1.491 ppm2 1.769
ASSI { 18922}
  (( segid "SEGA" and resid 93  and name HB2  ))
  (( segid "SEGA" and resid 93  and name HB1  ))
     6 6 0 peak 18922 weight  0.1000E+01 volume 11.48580 ppm1 2.168 ppm2 1.770
ASSI { 18932}
  (( segid "SEGA" and resid 94  and name HD1  ))
  (( segid "SEGA" and resid 93  and name HB1  ))
     6 6 0 peak 18932 weight  0.1000E+01 volume 9.04370 ppm1 3.782 ppm2 1.765
ASSI { 18942}
  (( segid "SEGA" and resid 93  and name HE2  ))
  (( segid "SEGA" and resid 93  and name HB1  ))
     6 6 0 peak 18942 weight  0.1000E+01 volume 4.66190 ppm1 3.092 ppm2 1.769
ASSI { 18952}
  (( segid "SEGA" and resid 94  and name HD1  ))
  (( segid "SEGA" and resid 93  and name HG2  ))
     6 6 0 peak 18952 weight  0.1000E+01 volume 13.02470 ppm1 3.775 ppm2 1.484
ASSI { 18962}
  (( segid "SEGA" and resid 93  and name HE2  ))
  (( segid "SEGA" and resid 93  and name HG2  ))
     6 6 0 peak 18962 weight  0.1000E+01 volume 38.89630 ppm1 3.077 ppm2 1.484
ASSI { 18972}
  (( segid "SEGA" and resid 75  and name HB2  ))
  (( segid "SEGA" and resid 93  and name HG2  ))
     6 6 0 peak 18972 weight  0.1000E+01 volume 8.75360 ppm1 2.881 ppm2 1.493
ASSI { 18982}
  (( segid "SEGA" and resid 93  and name HB2  ))
  (( segid "SEGA" and resid 93  and name HG2  ))
     6 6 0 peak 18982 weight  0.1000E+01 volume 19.58490 ppm1 2.169 ppm2 1.486
ASSI { 19002}
  (( segid "SEGA" and resid 93  and name HB1  ))
  (( segid "SEGA" and resid 93  and name HG2  ))
     6 6 0 peak 19002 weight  0.1000E+01 volume 33.60700 ppm1 1.751 ppm2 1.486
ASSI { 19012}
  (( segid "SEGA" and resid 92  and name HG11  ))
  (( segid "SEGA" and resid 93  and name HG2  ))
     6 6 0 peak 19012 weight  0.1000E+01 volume 10.16510 ppm1 1.141 ppm2 1.486
ASSI { 19022}
  (( segid "SEGA" and resid 92  and name HD1#  ))
  (( segid "SEGA" and resid 93  and name HG2  ))
     6 6 0 peak 19022 weight  0.1000E+01 volume 7.51180 ppm1 0.829 ppm2 1.486
ASSI { 19042}
  (( segid "SEGA" and resid 92  and name HG12  ))
  (( segid "SEGA" and resid 93  and name HG2  ))
     6 6 0 peak 19042 weight  0.1000E+01 volume 5.56030 ppm1 0.556 ppm2 1.493
ASSI { 19052}
  (( segid "SEGA" and resid 92  and name HD1#  ))
  (( segid "SEGA" and resid 93  and name HE2  ))
     6 6 0 peak 19052 weight  0.1000E+01 volume 29.62870 ppm1 0.824 ppm2 3.069
ASSI { 19062}
  (( segid "SEGA" and resid 24  and name HZ  ))
  (( segid "SEGA" and resid 18  and name HG1#  ))
     6 6 0 peak 19062 weight  0.1000E+01 volume 19.60140 ppm1 7.323 ppm2 0.466
ASSI { 19072}
  (( segid "SEGA" and resid 44  and name HA1  ))
  (( segid "SEGA" and resid 44  and name HA2  ))
     6 6 0 peak 19072 weight  0.1000E+01 volume 27.22280 ppm1 4.060 ppm2 4.624
ASSI { 19082}
  (( segid "SEGA" and resid 95  and name HD1#  ))
  (( segid "SEGA" and resid 75  and name HA  ))
     6 6 0 peak 19082 weight  0.1000E+01 volume 5.21310 ppm1 0.690 ppm2 4.640
ASSI { 19092}
  (( segid "SEGA" and resid 95  and name HD1#  ))
  (( segid "SEGA" and resid 75  and name HB1  ))
     6 6 0 peak 19092 weight  0.1000E+01 volume 10.80900 ppm1 0.683 ppm2 3.148
ASSI { 19102}
  (( segid "SEGA" and resid 75  and name HB2  ))
  (( segid "SEGA" and resid 95  and name HD1#  ))
     6 6 0 peak 19102 weight  0.1000E+01 volume 17.65140 ppm1 2.890 ppm2 0.677
ASSI { 19112}
  (( segid "SEGA" and resid 92  and name HD1#  ))
  (( segid "SEGA" and resid 91  and name HA  ))
     6 6 0 peak 19112 weight  0.1000E+01 volume 5.74410 ppm1 0.822 ppm2 4.605
ASSI { 19122}
  (( segid "SEGA" and resid 22  and name HG1  ))
  (( segid "SEGA" and resid 22  and name HB2  ))
     6 6 0 peak 19122 weight  0.1000E+01 volume 14.16660 ppm1 0.539 ppm2 1.758
ASSI { 19132}
  (( segid "SEGA" and resid 22  and name HD1  ))
  (( segid "SEGA" and resid 22  and name HB2  ))
     6 6 0 peak 19132 weight  0.1000E+01 volume 126.76010 ppm1 1.619 ppm2 1.752
ASSI { 19142}
  (( segid "SEGA" and resid 22  and name HE1  ))
  (( segid "SEGA" and resid 22  and name HB2  ))
     6 6 0 peak 19142 weight  0.1000E+01 volume 7.04000 ppm1 2.880 ppm2 1.758
ASSI { 19152}
  (( segid "SEGA" and resid 29  and name HD2#  ))
  (( segid "SEGA" and resid 32  and name HA  ))
     6 6 0 peak 19152 weight  0.1000E+01 volume 2.65760 ppm1 0.917 ppm2 5.345
ASSI { 19162}
  (( segid "SEGA" and resid 103  and name HA  ))
  (( segid "SEGA" and resid 74  and name HB2  ))
     6 6 0 peak 19162 weight  0.1000E+01 volume 2.95990 ppm1 5.112 ppm2 1.800
ASSI { 19172}
  (( segid "SEGA" and resid 74  and name HB1  ))
  (( segid "SEGA" and resid 74  and name HB2  ))
     6 6 0 peak 19172 weight  0.1000E+01 volume 6.63710 ppm1 2.547 ppm2 1.797
ASSI { 19182}
  (( segid "SEGA" and resid 74  and name HB1  ))
  (( segid "SEGA" and resid 74  and name HG1  ))
     6 6 0 peak 19182 weight  0.1000E+01 volume 9.36930 ppm1 2.544 ppm2 1.948
ASSI { 19192}
  (( segid "SEGA" and resid 92  and name HD1#  ))
  (( segid "SEGA" and resid 74  and name HG1  ))
     6 6 0 peak 19192 weight  0.1000E+01 volume 18.25750 ppm1 0.822 ppm2 1.956
ASSI { 19202}
  (( segid "SEGA" and resid 85  and name HA  ))
  (( segid "SEGA" and resid 85  and name HG2  ))
     6 6 0 peak 19202 weight  0.1000E+01 volume 34.42510 ppm1 3.866 ppm2 1.537
ASSI { 19212}
  (( segid "SEGA" and resid 85  and name HE1  ))
  (( segid "SEGA" and resid 85  and name HG2  ))
     6 6 0 peak 19212 weight  0.1000E+01 volume 42.13930 ppm1 3.188 ppm2 1.528
ASSI { 19222}
  (( segid "SEGA" and resid 37  and name HG1#  ))
  (( segid "SEGA" and resid 85  and name HG1  ))
     6 6 0 peak 19222 weight  0.1000E+01 volume 9.59110 ppm1 1.098 ppm2 1.609
ASSI { 19232}
  (( segid "SEGA" and resid 67  and name HG2#  ))
  (( segid "SEGA" and resid 16  and name HB1  ))
     6 6 0 peak 19232 weight  0.1000E+01 volume 16.70430 ppm1 0.770 ppm2 2.745
ASSI { 19242}
  (( segid "SEGA" and resid 67  and name HG2#  ))
  (( segid "SEGA" and resid 16  and name HB2  ))
     6 6 0 peak 19242 weight  0.1000E+01 volume 18.28910 ppm1 0.767 ppm2 2.854
ASSI { 19252}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 28  and name HG1  ))
     6 6 0 peak 19252 weight  0.1000E+01 volume 12.69890 ppm1 7.259 ppm2 2.504
ASSI { 19262}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 28  and name HG1  ))
     6 6 0 peak 19262 weight  0.1000E+01 volume 5.15520 ppm1 7.486 ppm2 2.506
ASSI { 19272}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 28  and name HG2  ))
     6 6 0 peak 19272 weight  0.1000E+01 volume 9.79640 ppm1 7.255 ppm2 2.602
ASSI { 19282}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 28  and name HG2  ))
     6 6 0 peak 19282 weight  0.1000E+01 volume 3.49740 ppm1 7.497 ppm2 2.607
ASSI { 19292}
  (( segid "SEGA" and resid 28  and name HB1  ))
  (( segid "SEGA" and resid 28  and name HG1  ))
     6 6 0 peak 19292 weight  0.1000E+01 volume 45.88710 ppm1 2.245 ppm2 2.516
ASSI { 19302}
  (( segid "SEGA" and resid 25  and name HB2  ))
  (( segid "SEGA" and resid 28  and name HG2  ))
     6 6 0 peak 19302 weight  0.1000E+01 volume 10.31890 ppm1 1.984 ppm2 2.608
ASSI { 19312}
  (( segid "SEGA" and resid 46  and name HB#  ))
  (( segid "SEGA" and resid 38  and name HD2  ))
     6 6 0 peak 19312 weight  0.1000E+01 volume 3.06430 ppm1 0.042 ppm2 3.302
ASSI { 19322}
  (( segid "SEGA" and resid 85  and name HA  ))
  (( segid "SEGA" and resid 85  and name HB2  ))
     6 6 0 peak 19322 weight  0.1000E+01 volume 17.22050 ppm1 3.848 ppm2 1.822
ASSI { 19332}
  (( segid "SEGA" and resid 85  and name HB2  ))
  (( segid "SEGA" and resid 85  and name HD2  ))
     6 6 0 peak 19332 weight  0.1000E+01 volume 17.60660 ppm1 1.852 ppm2 2.000
ASSI { 19342}
  (( segid "SEGA" and resid 102  and name HA  ))
  (( segid "SEGA" and resid 102  and name HB  ))
     6 6 0 peak 19342 weight  0.1000E+01 volume 25.16500 ppm1 5.112 ppm2 3.912
ASSI { 19352}
  (( segid "SEGA" and resid 38  and name HA  ))
  (( segid "SEGA" and resid 38  and name HB2  ))
     6 6 0 peak 19352 weight  0.1000E+01 volume 8.41350 ppm1 4.968 ppm2 1.546
ASSI { 19362}
  (( segid "SEGA" and resid 38  and name HD1  ))
  (( segid "SEGA" and resid 38  and name HB2  ))
     6 6 0 peak 19362 weight  0.1000E+01 volume 6.59180 ppm1 3.559 ppm2 1.545
ASSI { 19372}
  (( segid "SEGA" and resid 38  and name HB2  ))
  (( segid "SEGA" and resid 38  and name HD2  ))
     6 6 0 peak 19372 weight  0.1000E+01 volume 9.02810 ppm1 1.545 ppm2 3.289
ASSI { 19382}
  (( segid "SEGA" and resid 38  and name HD1  ))
  (( segid "SEGA" and resid 42  and name HB1  ))
     6 6 0 peak 19382 weight  0.1000E+01 volume 1.46660 ppm1 3.548 ppm2 2.474
ASSI { 19392}
  (( segid "SEGA" and resid 111  and name HB1  ))
  (( segid "SEGA" and resid 112  and name HB1  ))
     6 6 0 peak 19392 weight  0.1000E+01 volume 3.43310 ppm1 1.614 ppm2 3.883
ASSI { 19402}
  (( segid "SEGA" and resid 115  and name HA  ))
  (( segid "SEGA" and resid 115  and name HB1  ))
     6 6 0 peak 19402 weight  0.1000E+01 volume 53.00060 ppm1 4.395 ppm2 1.821
ASSI { 19412}
  (( segid "SEGA" and resid 115  and name HD2  ))
  (( segid "SEGA" and resid 115  and name HB1  ))
     6 6 0 peak 19412 weight  0.1000E+01 volume 8.52850 ppm1 3.173 ppm2 1.827
ASSI { 19422}
  (( segid "SEGA" and resid 111  and name HD1#  ))
  (( segid "SEGA" and resid 111  and name HG  ))
     6 6 0 peak 19422 weight  0.1000E+01 volume 23.04460 ppm1 0.915 ppm2 1.461
ASSI { 19432}
  (( segid "SEGA" and resid 116  and name HD2#  ))
  (( segid "SEGA" and resid 116  and name HG  ))
     6 6 0 peak 19432 weight  0.1000E+01 volume 25.91290 ppm1 0.845 ppm2 1.461
ASSI { 19442}
  (( segid "SEGA" and resid 43  and name HZ3  ))
  (( segid "SEGA" and resid 47  and name HD1#  ))
     6 6 0 peak 19442 weight  0.1000E+01 volume 21.93810 ppm1 7.016 ppm2 1.458
ASSI { 19452}
  (( segid "SEGA" and resid 116  and name HG  ))
  (( segid "SEGA" and resid 116  and name HD2#  ))
     6 6 0 peak 19452 weight  0.1000E+01 volume 23.04250 ppm1 1.455 ppm2 0.846
ASSI { 19462}
  (( segid "SEGA" and resid 43  and name HH2  ))
  (( segid "SEGA" and resid 47  and name HD2#  ))
     6 6 0 peak 19462 weight  0.1000E+01 volume 17.47980 ppm1 6.932 ppm2 0.866
ASSI { 19472}
  (( segid "SEGA" and resid 107  and name HA  ))
  (( segid "SEGA" and resid 107  and name HB1  ))
     6 6 0 peak 19472 weight  0.1000E+01 volume 16.79740 ppm1 4.762 ppm2 2.857
ASSI { 19482}
  (( segid "SEGA" and resid 103  and name HD1#  ))
  (( segid "SEGA" and resid 103  and name HA  ))
     6 6 0 peak 19482 weight  0.1000E+01 volume 28.02240 ppm1 0.511 ppm2 5.068
ASSI { 19492}
  (( segid "SEGA" and resid 114  and name HD2  ))
  (( segid "SEGA" and resid 114  and name HB1  ))
     6 6 0 peak 19492 weight  0.1000E+01 volume 11.46710 ppm1 3.749 ppm2 1.928
ASSI { 19502}
  (( segid "SEGA" and resid 116  and name HD2#  ))
  (( segid "SEGA" and resid 114  and name HB1  ))
     6 6 0 peak 19502 weight  0.1000E+01 volume 5.41550 ppm1 0.907 ppm2 1.933
ASSI { 19512}
  (( segid "SEGA" and resid 27  and name HA2  ))
  (( segid "SEGA" and resid 27  and name HA1  ))
     6 6 0 peak 19512 weight  0.1000E+01 volume 16.63990 ppm1 3.845 ppm2 4.257
ASSI { 19522}
  (( segid "SEGA" and resid 23  and name HB2  ))
  (( segid "SEGA" and resid 96  and name HA  ))
     6 6 0 peak 19522 weight  0.1000E+01 volume 7.37810 ppm1 4.081 ppm2 4.649
ASSI { 19562}
  (( segid "SEGA" and resid 6  and name HA  ))
  (( segid "SEGA" and resid 7  and name HG2#  ))
     6 6 0 peak 19562 weight  0.1000E+01 volume 16.97630 ppm1 5.664 ppm2 0.987
ASSI { 19582}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 22  and name HD1  ))
     6 6 0 peak 19582 weight  0.1000E+01 volume 10.40700 ppm1 7.493 ppm2 1.632
ASSI { 19602}
  (( segid "SEGA" and resid 2  and name HB2  ))
  (( segid "SEGA" and resid 7  and name HG11  ))
     6 6 0 peak 19602 weight  0.1000E+01 volume 13.91390 ppm1 3.488 ppm2 1.097
ASSI { 19672}
  (( segid "SEGA" and resid 88  and name HA  ))
  (( segid "SEGA" and resid 29  and name HD2#  ))
     6 6 0 peak 19672 weight  0.1000E+01 volume 3.20610 ppm1 5.145 ppm2 0.927
ASSI { 19692}
  (( segid "SEGA" and resid 43  and name HZ2  ))
  (( segid "SEGA" and resid 47  and name HD1#  ))
     6 6 0 peak 19692 weight  0.1000E+01 volume 7.83560 ppm1 7.480 ppm2 1.447
ASSI { 19702}
  (( segid "SEGA" and resid 115  and name HB1  ))
  (( segid "SEGA" and resid 115  and name HD1  ))
     6 6 0 peak 19702 weight  0.1000E+01 volume 26.30150 ppm1 1.835 ppm2 3.285
ASSI { 19762}
  (( segid "SEGA" and resid 74  and name HG1  ))
  (( segid "SEGA" and resid 104  and name HB1  ))
     6 6 0 peak 19762 weight  0.1000E+01 volume 5.70530 ppm1 1.987 ppm2 4.270
ASSI { 19772}
  (( segid "SEGA" and resid 80  and name HD1#  ))
  (( segid "SEGA" and resid 80  and name HA  ))
     6 6 0 peak 19772 weight  0.1000E+01 volume 5.89110 ppm1 0.650 ppm2 5.343
ASSI { 19782}
  (( segid "SEGA" and resid 52  and name HA  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 19782 weight  0.1000E+01 volume 23.92170 ppm1 4.942 ppm2 0.661
ASSI { 19842}
  (( segid "SEGA" and resid 62  and name HD1#  ))
  (( segid "SEGA" and resid 62  and name HA  ))
     6 6 0 peak 19842 weight  0.1000E+01 volume 48.43190 ppm1 0.742 ppm2 4.470
ASSI { 19862}
  (( segid "SEGA" and resid 64  and name HD1  ))
  (( segid "SEGA" and resid 64  and name HB2  ))
     6 6 0 peak 19862 weight  0.1000E+01 volume 5.93520 ppm1 7.020 ppm2 2.627
ASSI { 19872}
  (( segid "SEGA" and resid 64  and name HB2  ))
  (( segid "SEGA" and resid 64  and name HB1  ))
     6 6 0 peak 19872 weight  0.1000E+01 volume 17.34180 ppm1 2.597 ppm2 3.113
ASSI { 19882}
  (( segid "SEGA" and resid 22  and name HA  ))
  (( segid "SEGA" and resid 97  and name HB  ))
     6 6 0 peak 19882 weight  0.1000E+01 volume 8.81840 ppm1 4.599 ppm2 1.612
ASSI { 19892}
  (( segid "SEGA" and resid 6  and name HA  ))
  (( segid "SEGA" and resid 101  and name HD1#  ))
     6 6 0 peak 19892 weight  0.1000E+01 volume 10.33110 ppm1 5.667 ppm2 0.678
ASSI { 19902}
  (( segid "SEGA" and resid 30  and name HB  ))
  (( segid "SEGA" and resid 30  and name HA  ))
     6 6 0 peak 19902 weight  0.1000E+01 volume 12.47880 ppm1 1.474 ppm2 3.971
ASSI { 19952}
  (( segid "SEGA" and resid 64  and name HE1  ))
  (( segid "SEGA" and resid 1  and name HG2  ))
     6 6 0 peak 19952 weight  0.1000E+01 volume 10.83720 ppm1 7.224 ppm2 2.513
ASSI { 19962}
  (( segid "SEGA" and resid 64  and name HE1  ))
  (( segid "SEGA" and resid 1  and name HG1  ))
     6 6 0 peak 19962 weight  0.1000E+01 volume 4.08090 ppm1 7.226 ppm2 2.764
ASSI { 20022}
  (( segid "SEGA" and resid 26  and name HB1  ))
  (( segid "SEGA" and resid 94  and name HG2  ))
     6 6 0 peak 20022 weight  0.1000E+01 volume 11.90470 ppm1 1.772 ppm2 2.124
ASSI { 20032}
  (( segid "SEGA" and resid 89  and name HD1#  ))
  (( segid "SEGA" and resid 78  and name HB1  ))
     6 6 0 peak 20032 weight  0.1000E+01 volume 3.43860 ppm1 0.400 ppm2 2.853
ASSI { 20042}
  (( segid "SEGA" and resid 43  and name HH2  ))
  (( segid "SEGA" and resid 36  and name HG2#  ))
     6 6 0 peak 20042 weight  0.1000E+01 volume 4.00500 ppm1 6.972 ppm2 0.782
ASSI { 20082}
  (( segid "SEGA" and resid 103  and name HG2#  ))
  (( segid "SEGA" and resid 103  and name HB  ))
     6 6 0 peak 20082 weight  0.1000E+01 volume 23.39030 ppm1 0.454 ppm2 2.101
ASSI { 20092}
  (( segid "SEGA" and resid 97  and name HA  ))
  (( segid "SEGA" and resid 23  and name HB1  ))
     6 6 0 peak 20092 weight  0.1000E+01 volume 4.62880 ppm1 3.253 ppm2 4.039
ASSI { 20122}
  (( segid "SEGA" and resid 64  and name HE1  ))
  (( segid "SEGA" and resid 1  and name HB2  ))
     6 6 0 peak 20122 weight  0.1000E+01 volume 10.61590 ppm1 7.234 ppm2 1.856
ASSI { 20142}
  (( segid "SEGA" and resid 1  and name HE#  ))
  (( segid "SEGA" and resid 1  and name HB1  ))
     6 6 0 peak 20142 weight  0.1000E+01 volume 27.43220 ppm1 1.725 ppm2 2.518
ASSI { 20152}
  (( segid "SEGA" and resid 1  and name HE#  ))
  (( segid "SEGA" and resid 1  and name HG1  ))
     6 6 0 peak 20152 weight  0.1000E+01 volume 21.29560 ppm1 1.723 ppm2 2.763
ASSI { 20162}
  (( segid "SEGA" and resid 7  and name HG11  ))
  (( segid "SEGA" and resid 2  and name HA  ))
     6 6 0 peak 20162 weight  0.1000E+01 volume 6.55450 ppm1 1.095 ppm2 5.466
ASSI { 20182}
  (( segid "SEGA" and resid 7  and name HB  ))
  (( segid "SEGA" and resid 2  and name HB1  ))
     6 6 0 peak 20182 weight  0.1000E+01 volume 8.12740 ppm1 1.734 ppm2 3.607
ASSI { 20192}
  (( segid "SEGA" and resid 7  and name HB  ))
  (( segid "SEGA" and resid 2  and name HB2  ))
     6 6 0 peak 20192 weight  0.1000E+01 volume 3.02940 ppm1 1.725 ppm2 3.514
ASSI { 20202}
  (( segid "SEGA" and resid 7  and name HG11  ))
  (( segid "SEGA" and resid 2  and name HB2  ))
     6 6 0 peak 20202 weight  0.1000E+01 volume 3.72780 ppm1 1.098 ppm2 3.511
ASSI { 20212}
  (( segid "SEGA" and resid 7  and name HG11  ))
  (( segid "SEGA" and resid 2  and name HB1  ))
     6 6 0 peak 20212 weight  0.1000E+01 volume 4.70660 ppm1 1.098 ppm2 3.605
ASSI { 20222}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 22  and name HE1  ))
     6 6 0 peak 20222 weight  0.1000E+01 volume 5.28380 ppm1 7.496 ppm2 2.889
ASSI { 20232}
  (( segid "SEGA" and resid 24  and name HZ  ))
  (( segid "SEGA" and resid 22  and name HE1  ))
     6 6 0 peak 20232 weight  0.1000E+01 volume 8.04670 ppm1 7.343 ppm2 2.888
ASSI { 20242}
  (( segid "SEGA" and resid 5  and name HA  ))
  (( segid "SEGA" and resid 22  and name HE1  ))
     6 6 0 peak 20242 weight  0.1000E+01 volume 11.06380 ppm1 4.425 ppm2 2.886
ASSI { 20252}
  (( segid "SEGA" and resid 5  and name HD2  ))
  (( segid "SEGA" and resid 22  and name HE1  ))
     6 6 0 peak 20252 weight  0.1000E+01 volume 8.92630 ppm1 3.525 ppm2 2.885
ASSI { 20262}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 22  and name HE2  ))
     6 6 0 peak 20262 weight  0.1000E+01 volume 8.72140 ppm1 7.493 ppm2 2.460
ASSI { 20272}
  (( segid "SEGA" and resid 24  and name HZ  ))
  (( segid "SEGA" and resid 22  and name HE2  ))
     6 6 0 peak 20272 weight  0.1000E+01 volume 8.87860 ppm1 7.348 ppm2 2.464
ASSI { 20282}
  (( segid "SEGA" and resid 24  and name HD1  ))
  (( segid "SEGA" and resid 22  and name HE2  ))
     6 6 0 peak 20282 weight  0.1000E+01 volume 12.84580 ppm1 7.255 ppm2 2.464
ASSI { 20292}
  (( segid "SEGA" and resid 5  and name HA  ))
  (( segid "SEGA" and resid 22  and name HE2  ))
     6 6 0 peak 20292 weight  0.1000E+01 volume 11.95360 ppm1 4.422 ppm2 2.462
ASSI { 20312}
  (( segid "SEGA" and resid 21  and name HB2  ))
  (( segid "SEGA" and resid 6  and name HA  ))
     6 6 0 peak 20312 weight  0.1000E+01 volume 7.64050 ppm1 1.478 ppm2 5.662
ASSI { 20322}
  (( segid "SEGA" and resid 21  and name HB1  ))
  (( segid "SEGA" and resid 6  and name HA  ))
     6 6 0 peak 20322 weight  0.1000E+01 volume 6.57940 ppm1 1.927 ppm2 5.648
ASSI { 20342}
  (( segid "SEGA" and resid 5  and name HA  ))
  (( segid "SEGA" and resid 6  and name HG1#  ))
     6 6 0 peak 20342 weight  0.1000E+01 volume 6.60650 ppm1 4.427 ppm2 0.857
ASSI { 20362}
  (( segid "SEGA" and resid 2  and name HE1  ))
  (( segid "SEGA" and resid 7  and name HG12  ))
     6 6 0 peak 20362 weight  0.1000E+01 volume 8.15290 ppm1 7.247 ppm2 1.927
ASSI { 20372}
  (( segid "SEGA" and resid 2  and name HA  ))
  (( segid "SEGA" and resid 7  and name HG12  ))
     6 6 0 peak 20372 weight  0.1000E+01 volume 6.98730 ppm1 5.461 ppm2 1.920
ASSI { 20382}
  (( segid "SEGA" and resid 7  and name HA  ))
  (( segid "SEGA" and resid 7  and name HG12  ))
     6 6 0 peak 20382 weight  0.1000E+01 volume 11.05220 ppm1 4.971 ppm2 1.920
ASSI { 20392}
  (( segid "SEGA" and resid 2  and name HB1  ))
  (( segid "SEGA" and resid 7  and name HG11  ))
     6 6 0 peak 20392 weight  0.1000E+01 volume 9.49770 ppm1 3.608 ppm2 1.100
ASSI { 20402}
  (( segid "SEGA" and resid 21  and name HD2  ))
  (( segid "SEGA" and resid 7  and name HD1#  ))
     6 6 0 peak 20402 weight  0.1000E+01 volume 26.12070 ppm1 3.252 ppm2 0.916
ASSI { 20442}
  (( segid "SEGA" and resid 19  and name HB1  ))
  (( segid "SEGA" and resid 9  and name HD1  ))
     6 6 0 peak 20442 weight  0.1000E+01 volume 7.35440 ppm1 2.570 ppm2 1.227
ASSI { 20462}
  (( segid "SEGA" and resid 19  and name HB2  ))
  (( segid "SEGA" and resid 9  and name HD1  ))
     6 6 0 peak 20462 weight  0.1000E+01 volume 3.48080 ppm1 3.038 ppm2 1.221
ASSI { 20472}
  (( segid "SEGA" and resid 19  and name HA  ))
  (( segid "SEGA" and resid 19  and name HB1  ))
     6 6 0 peak 20472 weight  0.1000E+01 volume 7.41670 ppm1 5.129 ppm2 2.561
ASSI { 20492}
  (( segid "SEGA" and resid 19  and name HA  ))
  (( segid "SEGA" and resid 19  and name HB2  ))
     6 6 0 peak 20492 weight  0.1000E+01 volume 8.54340 ppm1 5.117 ppm2 3.053
ASSI { 20502}
  (( segid "SEGA" and resid 19  and name HD1  ))
  (( segid "SEGA" and resid 19  and name HB2  ))
     6 6 0 peak 20502 weight  0.1000E+01 volume 9.67420 ppm1 7.306 ppm2 3.044
ASSI { 20532}
  (( segid "SEGA" and resid 13  and name HB2  ))
  (( segid "SEGA" and resid 12  and name HG1  ))
     6 6 0 peak 20532 weight  0.1000E+01 volume 1.33370 ppm1 1.676 ppm2 2.216
ASSI { 20542}
  (( segid "SEGA" and resid 11  and name HA  ))
  (( segid "SEGA" and resid 12  and name HB2  ))
     6 6 0 peak 20542 weight  0.1000E+01 volume 2.72840 ppm1 5.356 ppm2 2.483
ASSI { 20572}
  (( segid "SEGA" and resid 43  and name HZ2  ))
  (( segid "SEGA" and resid 37  and name HG2#  ))
     6 6 0 peak 20572 weight  0.1000E+01 volume 6.47270 ppm1 7.488 ppm2 0.961
ASSI { 20622}
  (( segid "SEGA" and resid 13  and name HB2  ))
  (( segid "SEGA" and resid 14  and name HA2  ))
     6 6 0 peak 20622 weight  0.1000E+01 volume 6.03350 ppm1 1.641 ppm2 3.665
ASSI { 20632}
  (( segid "SEGA" and resid 13  and name HB1  ))
  (( segid "SEGA" and resid 14  and name HA2  ))
     6 6 0 peak 20632 weight  0.1000E+01 volume 7.81120 ppm1 1.915 ppm2 3.661
ASSI { 20652}
  (( segid "SEGA" and resid 14  and name HA2  ))
  (( segid "SEGA" and resid 15  and name HA1  ))
     6 6 0 peak 20652 weight  0.1000E+01 volume 7.45020 ppm1 3.667 ppm2 4.222
ASSI { 20662}
  (( segid "SEGA" and resid 14  and name HA2  ))
  (( segid "SEGA" and resid 15  and name HA2  ))
     6 6 0 peak 20662 weight  0.1000E+01 volume 14.83870 ppm1 3.658 ppm2 3.852
ASSI { 20682}
  (( segid "SEGA" and resid 18  and name HG2#  ))
  (( segid "SEGA" and resid 18  and name HB  ))
     6 6 0 peak 20682 weight  0.1000E+01 volume 4.83020 ppm1 -0.075 ppm2 1.379
ASSI { 20712}
  (( segid "SEGA" and resid 101  and name HA  ))
  (( segid "SEGA" and resid 18  and name HG1#  ))
     6 6 0 peak 20712 weight  0.1000E+01 volume 9.72410 ppm1 4.729 ppm2 0.466
ASSI { 20722}
  (( segid "SEGA" and resid 19  and name HB1  ))
  (( segid "SEGA" and resid 19  and name HA  ))
     6 6 0 peak 20722 weight  0.1000E+01 volume 8.81960 ppm1 2.560 ppm2 5.123
ASSI { 20732}
  (( segid "SEGA" and resid 9  and name HE2  ))
  (( segid "SEGA" and resid 19  and name HA  ))
     6 6 0 peak 20732 weight  0.1000E+01 volume 3.93560 ppm1 2.132 ppm2 5.131
ASSI { 20742}
  (( segid "SEGA" and resid 19  and name HB2  ))
  (( segid "SEGA" and resid 19  and name HA  ))
     6 6 0 peak 20742 weight  0.1000E+01 volume 4.00250 ppm1 3.075 ppm2 5.122
ASSI { 20752}
  (( segid "SEGA" and resid 101  and name HD1#  ))
  (( segid "SEGA" and resid 19  and name HA  ))
     6 6 0 peak 20752 weight  0.1000E+01 volume 3.21360 ppm1 0.676 ppm2 5.131
ASSI { 20772}
  (( segid "SEGA" and resid 29  and name HB1  ))
  (( segid "SEGA" and resid 30  and name HA  ))
     6 6 0 peak 20772 weight  0.1000E+01 volume 8.47160 ppm1 1.981 ppm2 3.969
ASSI { 20842}
  (( segid "SEGA" and resid 29  and name HG  ))
  (( segid "SEGA" and resid 29  and name HA  ))
     6 6 0 peak 20842 weight  0.1000E+01 volume 12.89390 ppm1 1.188 ppm2 4.110
ASSI { 20852}
  (( segid "SEGA" and resid 29  and name HB2  ))
  (( segid "SEGA" and resid 29  and name HA  ))
     6 6 0 peak 20852 weight  0.1000E+01 volume 10.13510 ppm1 1.494 ppm2 4.107
ASSI { 20862}
  (( segid "SEGA" and resid 29  and name HB1  ))
  (( segid "SEGA" and resid 29  and name HA  ))
     6 6 0 peak 20862 weight  0.1000E+01 volume 8.55560 ppm1 1.969 ppm2 4.110
ASSI { 20872}
  (( segid "SEGA" and resid 90  and name HE1  ))
  (( segid "SEGA" and resid 29  and name HB2  ))
     6 6 0 peak 20872 weight  0.1000E+01 volume 7.61490 ppm1 7.296 ppm2 1.499
ASSI { 20882}
  (( segid "SEGA" and resid 90  and name HD1  ))
  (( segid "SEGA" and resid 29  and name HB2  ))
     6 6 0 peak 20882 weight  0.1000E+01 volume 2.45170 ppm1 6.916 ppm2 1.501
ASSI { 20892}
  (( segid "SEGA" and resid 90  and name HE1  ))
  (( segid "SEGA" and resid 29  and name HB1  ))
     6 6 0 peak 20892 weight  0.1000E+01 volume 7.75630 ppm1 7.292 ppm2 1.971
ASSI { 20902}
  (( segid "SEGA" and resid 90  and name HE1  ))
  (( segid "SEGA" and resid 29  and name HG  ))
     6 6 0 peak 20902 weight  0.1000E+01 volume 2.67360 ppm1 7.285 ppm2 1.190
ASSI { 20932}
  (( segid "SEGA" and resid 30  and name HA  ))
  (( segid "SEGA" and resid 29  and name HD2#  ))
     6 6 0 peak 20932 weight  0.1000E+01 volume 2.93320 ppm1 3.962 ppm2 0.924
ASSI { 20952}
  (( segid "SEGA" and resid 97  and name HG2#  ))
  (( segid "SEGA" and resid 98  and name HA2  ))
     6 6 0 peak 20952 weight  0.1000E+01 volume 4.87920 ppm1 0.893 ppm2 3.838
ASSI { 20972}
  (( segid "SEGA" and resid 94  and name HG1  ))
  (( segid "SEGA" and resid 26  and name HB2  ))
     6 6 0 peak 20972 weight  0.1000E+01 volume 6.40010 ppm1 2.283 ppm2 1.484
ASSI { 20982}
  (( segid "SEGA" and resid 94  and name HG1  ))
  (( segid "SEGA" and resid 26  and name HA  ))
     6 6 0 peak 20982 weight  0.1000E+01 volume 8.13400 ppm1 2.286 ppm2 3.640
ASSI { 20992}
  (( segid "SEGA" and resid 94  and name HG2  ))
  (( segid "SEGA" and resid 26  and name HA  ))
     6 6 0 peak 20992 weight  0.1000E+01 volume 4.19580 ppm1 2.133 ppm2 3.636
ASSI { 21012}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 24  and name HB1  ))
     6 6 0 peak 21012 weight  0.1000E+01 volume 6.53480 ppm1 7.487 ppm2 3.255
ASSI { 21022}
  (( segid "SEGA" and resid 95  and name HD1#  ))
  (( segid "SEGA" and resid 24  and name HB2  ))
     6 6 0 peak 21022 weight  0.1000E+01 volume 6.37150 ppm1 0.681 ppm2 2.934
ASSI { 21042}
  (( segid "SEGA" and resid 95  and name HD1#  ))
  (( segid "SEGA" and resid 24  and name HA  ))
     6 6 0 peak 21042 weight  0.1000E+01 volume 5.33500 ppm1 0.680 ppm2 5.054
ASSI { 21052}
  (( segid "SEGA" and resid 97  and name HG2#  ))
  (( segid "SEGA" and resid 23  and name HA  ))
     6 6 0 peak 21052 weight  0.1000E+01 volume 4.99780 ppm1 0.899 ppm2 4.917
ASSI { 21062}
  (( segid "SEGA" and resid 23  and name HA  ))
  (( segid "SEGA" and resid 22  and name HA  ))
     6 6 0 peak 21062 weight  0.1000E+01 volume 5.56300 ppm1 4.922 ppm2 4.591
ASSI { 21082}
  (( segid "SEGA" and resid 68  and name HE1  ))
  (( segid "SEGA" and resid 31  and name HA  ))
     6 6 0 peak 21082 weight  0.1000E+01 volume 9.40620 ppm1 6.853 ppm2 5.102
ASSI { 21152}
  (( segid "SEGA" and resid 63  and name HA1  ))
  (( segid "SEGA" and resid 33  and name HB2  ))
     6 6 0 peak 21152 weight  0.1000E+01 volume 9.12210 ppm1 3.801 ppm2 2.652
ASSI { 21162}
  (( segid "SEGA" and resid 33  and name HB2  ))
  (( segid "SEGA" and resid 63  and name HA1  ))
     6 6 0 peak 21162 weight  0.1000E+01 volume 9.99080 ppm1 2.647 ppm2 3.803
ASSI { 21172}
  (( segid "SEGA" and resid 86  and name HB2  ))
  (( segid "SEGA" and resid 34  and name HD1#  ))
     6 6 0 peak 21172 weight  0.1000E+01 volume 18.65740 ppm1 1.715 ppm2 0.550
ASSI { 21232}
  (( segid "SEGA" and resid 36  and name HG2#  ))
  (( segid "SEGA" and resid 36  and name HA  ))
     6 6 0 peak 21232 weight  0.1000E+01 volume 12.38370 ppm1 0.782 ppm2 4.390
ASSI { 21252}
  (( segid "SEGA" and resid 43  and name HZ2  ))
  (( segid "SEGA" and resid 37  and name HG1#  ))
     6 6 0 peak 21252 weight  0.1000E+01 volume 7.67240 ppm1 7.482 ppm2 1.102
ASSI { 21282}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 47  and name HD1#  ))
     6 6 0 peak 21282 weight  0.1000E+01 volume 20.35440 ppm1 -0.353 ppm2 1.453
ASSI { 21292}
  (( segid "SEGA" and resid 51  and name HD2#  ))
  (( segid "SEGA" and resid 47  and name HD1#  ))
     6 6 0 peak 21292 weight  0.1000E+01 volume 6.70910 ppm1 0.082 ppm2 1.448
ASSI { 21302}
  (( segid "SEGA" and resid 38  and name HA  ))
  (( segid "SEGA" and resid 38  and name HG2  ))
     6 6 0 peak 21302 weight  0.1000E+01 volume 7.91540 ppm1 4.980 ppm2 1.229
ASSI { 21312}
  (( segid "SEGA" and resid 38  and name HB1  ))
  (( segid "SEGA" and resid 38  and name HG2  ))
     6 6 0 peak 21312 weight  0.1000E+01 volume 7.45380 ppm1 2.107 ppm2 1.226
ASSI { 21322}
  (( segid "SEGA" and resid 38  and name HB2  ))
  (( segid "SEGA" and resid 38  and name HG2  ))
     6 6 0 peak 21322 weight  0.1000E+01 volume 9.00230 ppm1 1.542 ppm2 1.229
ASSI { 21332}
  (( segid "SEGA" and resid 38  and name HG1  ))
  (( segid "SEGA" and resid 38  and name HG2  ))
     6 6 0 peak 21332 weight  0.1000E+01 volume 8.88480 ppm1 1.429 ppm2 1.222
ASSI { 21382}
  (( segid "SEGA" and resid 45  and name HG2#  ))
  (( segid "SEGA" and resid 42  and name HA  ))
     6 6 0 peak 21382 weight  0.1000E+01 volume 5.03770 ppm1 1.280 ppm2 4.641
ASSI { 21392}
  (( segid "SEGA" and resid 46  and name HB#  ))
  (( segid "SEGA" and resid 42  and name HB2  ))
     6 6 0 peak 21392 weight  0.1000E+01 volume 3.85440 ppm1 -0.087 ppm2 2.370
ASSI { 21412}
  (( segid "SEGA" and resid 42  and name HA  ))
  (( segid "SEGA" and resid 42  and name HB2  ))
     6 6 0 peak 21412 weight  0.1000E+01 volume 19.59980 ppm1 4.645 ppm2 2.375
ASSI { 21462}
  (( segid "SEGA" and resid 43  and name HZ3  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 21462 weight  0.1000E+01 volume 2.48560 ppm1 7.016 ppm2 0.101
ASSI { 21472}
  (( segid "SEGA" and resid 60  and name HE#  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 21472 weight  0.1000E+01 volume 33.57500 ppm1 1.866 ppm2 -0.360
ASSI { 21562}
  (( segid "SEGA" and resid 37  and name HA  ))
  (( segid "SEGA" and resid 57  and name HE#  ))
     6 6 0 peak 21562 weight  0.1000E+01 volume 4.51560 ppm1 5.298 ppm2 2.109
ASSI { 21572}
  (( segid "SEGA" and resid 37  and name HG2#  ))
  (( segid "SEGA" and resid 57  and name HG2  ))
     6 6 0 peak 21572 weight  0.1000E+01 volume 4.12190 ppm1 0.949 ppm2 2.521
ASSI { 21662}
  (( segid "SEGA" and resid 35  and name HB1  ))
  (( segid "SEGA" and resid 61  and name HA  ))
     6 6 0 peak 21662 weight  0.1000E+01 volume 8.95090 ppm1 3.273 ppm2 4.746
ASSI { 21742}
  (( segid "SEGA" and resid 64  and name HB2  ))
  (( segid "SEGA" and resid 64  and name HA  ))
     6 6 0 peak 21742 weight  0.1000E+01 volume 6.44730 ppm1 2.597 ppm2 4.824
ASSI { 21752}
  (( segid "SEGA" and resid 67  and name HG12  ))
  (( segid "SEGA" and resid 64  and name HA  ))
     6 6 0 peak 21752 weight  0.1000E+01 volume 6.39910 ppm1 0.768 ppm2 4.832
ASSI { 21762}
  (( segid "SEGA" and resid 64  and name HB1  ))
  (( segid "SEGA" and resid 64  and name HB2  ))
     6 6 0 peak 21762 weight  0.1000E+01 volume 9.54230 ppm1 3.144 ppm2 2.627
ASSI { 21782}
  (( segid "SEGA" and resid 67  and name HD1#  ))
  (( segid "SEGA" and resid 68  and name HA  ))
     6 6 0 peak 21782 weight  0.1000E+01 volume 7.45500 ppm1 0.898 ppm2 4.072
ASSI { 21792}
  (( segid "SEGA" and resid 67  and name HA  ))
  (( segid "SEGA" and resid 68  and name HA  ))
     6 6 0 peak 21792 weight  0.1000E+01 volume 9.19710 ppm1 3.890 ppm2 4.071
ASSI { 21812}
  (( segid "SEGA" and resid 68  and name HB2  ))
  (( segid "SEGA" and resid 67  and name HA  ))
     6 6 0 peak 21812 weight  0.1000E+01 volume 2.65320 ppm1 2.783 ppm2 3.887
ASSI { 21842}
  (( segid "SEGA" and resid 78  and name HB1  ))
  (( segid "SEGA" and resid 89  and name HG12  ))
     6 6 0 peak 21842 weight  0.1000E+01 volume 3.50380 ppm1 2.821 ppm2 0.615
ASSI { 21852}
  (( segid "SEGA" and resid 70  and name HD2  ))
  (( segid "SEGA" and resid 71  and name HA  ))
     6 6 0 peak 21852 weight  0.1000E+01 volume 11.98330 ppm1 7.047 ppm2 4.766
ASSI { 21892}
  (( segid "SEGA" and resid 116  and name HB2  ))
  (( segid "SEGA" and resid 72  and name HA  ))
     6 6 0 peak 21892 weight  0.1000E+01 volume 21.71920 ppm1 1.852 ppm2 4.217
ASSI { 21902}
  (( segid "SEGA" and resid 86  and name HG2  ))
  (( segid "SEGA" and resid 34  and name HA  ))
     6 6 0 peak 21902 weight  0.1000E+01 volume 15.13080 ppm1 1.595 ppm2 4.569
ASSI { 21912}
  (( segid "SEGA" and resid 80  and name HA  ))
  (( segid "SEGA" and resid 79  and name HA  ))
     6 6 0 peak 21912 weight  0.1000E+01 volume 4.98450 ppm1 5.346 ppm2 4.587
ASSI { 21942}
  (( segid "SEGA" and resid 92  and name HG12  ))
  (( segid "SEGA" and resid 76  and name HA  ))
     6 6 0 peak 21942 weight  0.1000E+01 volume 4.93700 ppm1 0.543 ppm2 5.063
ASSI { 21992}
  (( segid "SEGA" and resid 26  and name HG1  ))
  (( segid "SEGA" and resid 92  and name HA  ))
     6 6 0 peak 21992 weight  0.1000E+01 volume 6.16990 ppm1 1.239 ppm2 4.724
ASSI { 22002}
  (( segid "SEGA" and resid 34  and name HD1#  ))
  (( segid "SEGA" and resid 81  and name HG2#  ))
     6 6 0 peak 22002 weight  0.1000E+01 volume 21.60650 ppm1 0.553 ppm2 1.267
ASSI { 22022}
  (( segid "SEGA" and resid 81  and name HB  ))
  (( segid "SEGA" and resid 82  and name HB#  ))
     6 6 0 peak 22022 weight  0.1000E+01 volume 5.37490 ppm1 4.798 ppm2 1.542
ASSI { 22032}
  (( segid "SEGA" and resid 83  and name HA2  ))
  (( segid "SEGA" and resid 82  and name HB#  ))
     6 6 0 peak 22032 weight  0.1000E+01 volume 7.17700 ppm1 3.956 ppm2 1.537
ASSI { 22042}
  (( segid "SEGA" and resid 82  and name HB#  ))
  (( segid "SEGA" and resid 83  and name HA2  ))
     6 6 0 peak 22042 weight  0.1000E+01 volume 5.02400 ppm1 1.522 ppm2 3.978
ASSI { 22072}
  (( segid "SEGA" and resid 37  and name HA  ))
  (( segid "SEGA" and resid 84  and name HD2#  ))
     6 6 0 peak 22072 weight  0.1000E+01 volume 5.98950 ppm1 5.304 ppm2 0.877
ASSI { 22082}
  (( segid "SEGA" and resid 99  and name HN  ))
  (( segid "SEGA" and resid 99  and name HG1  ))
     6 6 0 peak 22082 weight  0.1000E+01 volume 12.17450 ppm1 8.132 ppm2 2.515
ASSI { 22092}
  (( segid "SEGA" and resid 99  and name HN  ))
  (( segid "SEGA" and resid 99  and name HG2  ))
     6 6 0 peak 22092 weight  0.1000E+01 volume 14.38620 ppm1 8.133 ppm2 2.357
ASSI { 22102}
  (( segid "SEGA" and resid 95  and name HD1#  ))
  (( segid "SEGA" and resid 99  and name HB2  ))
     6 6 0 peak 22102 weight  0.1000E+01 volume 4.60920 ppm1 0.683 ppm2 2.213
ASSI { 22112}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 99  and name HB2  ))
     6 6 0 peak 22112 weight  0.1000E+01 volume 24.07630 ppm1 1.095 ppm2 2.210
ASSI { 22122}
  (( segid "SEGA" and resid 96  and name HB#  ))
  (( segid "SEGA" and resid 99  and name HB2  ))
     6 6 0 peak 22122 weight  0.1000E+01 volume 10.49640 ppm1 1.520 ppm2 2.210
ASSI { 22132}
  (( segid "SEGA" and resid 99  and name HA  ))
  (( segid "SEGA" and resid 99  and name HB2  ))
     6 6 0 peak 22132 weight  0.1000E+01 volume 44.63190 ppm1 4.493 ppm2 2.218
ASSI { 22142}
  (( segid "SEGA" and resid 99  and name HN  ))
  (( segid "SEGA" and resid 99  and name HB1  ))
     6 6 0 peak 22142 weight  0.1000E+01 volume 17.13190 ppm1 8.130 ppm2 2.290
ASSI { 22152}
  (( segid "SEGA" and resid 99  and name HN  ))
  (( segid "SEGA" and resid 99  and name HB2  ))
     6 6 0 peak 22152 weight  0.1000E+01 volume 16.63260 ppm1 8.133 ppm2 2.210
ASSI { 22162}
  (( segid "SEGA" and resid 99  and name HN  ))
  (( segid "SEGA" and resid 99  and name HA  ))
     6 6 0 peak 22162 weight  0.1000E+01 volume 16.28230 ppm1 8.134 ppm2 4.488
ASSI { 22172}
  (( segid "SEGA" and resid 23  and name HB1  ))
  (( segid "SEGA" and resid 97  and name HA  ))
     6 6 0 peak 22172 weight  0.1000E+01 volume 4.07030 ppm1 4.021 ppm2 3.242
ASSI { 22192}
  (( segid "SEGA" and resid 99  and name HN  ))
  (( segid "SEGA" and resid 97  and name HA  ))
     6 6 0 peak 22192 weight  0.1000E+01 volume 3.01530 ppm1 8.129 ppm2 3.252
ASSI { 22202}
  (( segid "SEGA" and resid 23  and name HB1  ))
  (( segid "SEGA" and resid 97  and name HB  ))
     6 6 0 peak 22202 weight  0.1000E+01 volume 6.80360 ppm1 4.030 ppm2 1.602
ASSI { 22212}
  (( segid "SEGA" and resid 21  and name HA  ))
  (( segid "SEGA" and resid 97  and name HG11  ))
     6 6 0 peak 22212 weight  0.1000E+01 volume 4.94780 ppm1 4.505 ppm2 1.613
ASSI { 22222}
  (( segid "SEGA" and resid 23  and name HB1  ))
  (( segid "SEGA" and resid 97  and name HG12  ))
     6 6 0 peak 22222 weight  0.1000E+01 volume 9.21390 ppm1 4.029 ppm2 0.656
ASSI { 22232}
  (( segid "SEGA" and resid 21  and name HA  ))
  (( segid "SEGA" and resid 97  and name HG12  ))
     6 6 0 peak 22232 weight  0.1000E+01 volume 4.57370 ppm1 4.500 ppm2 0.647
ASSI { 22242}
  (( segid "SEGA" and resid 23  and name HA  ))
  (( segid "SEGA" and resid 97  and name HG12  ))
     6 6 0 peak 22242 weight  0.1000E+01 volume 3.03730 ppm1 4.907 ppm2 0.639
ASSI { 22252}
  (( segid "SEGA" and resid 21  and name HA  ))
  (( segid "SEGA" and resid 97  and name HG11  ))
     6 6 0 peak 22252 weight  0.1000E+01 volume 5.06620 ppm1 4.480 ppm2 1.613
ASSI { 22272}
  (( segid "SEGA" and resid 23  and name HB2  ))
  (( segid "SEGA" and resid 97  and name HD1#  ))
     6 6 0 peak 22272 weight  0.1000E+01 volume 8.62890 ppm1 4.080 ppm2 1.015
ASSI { 22282}
  (( segid "SEGA" and resid 23  and name HB2  ))
  (( segid "SEGA" and resid 97  and name HG2#  ))
     6 6 0 peak 22282 weight  0.1000E+01 volume 4.37850 ppm1 4.063 ppm2 0.894
ASSI { 22292}
  (( segid "SEGA" and resid 23  and name HB1  ))
  (( segid "SEGA" and resid 97  and name HG2#  ))
     6 6 0 peak 22292 weight  0.1000E+01 volume 2.33300 ppm1 4.025 ppm2 0.896
ASSI { 22302}
  (( segid "SEGA" and resid 23  and name HA  ))
  (( segid "SEGA" and resid 97  and name HG2#  ))
     6 6 0 peak 22302 weight  0.1000E+01 volume 5.99680 ppm1 4.916 ppm2 0.894
ASSI { 22312}
  (( segid "SEGA" and resid 99  and name HN  ))
  (( segid "SEGA" and resid 97  and name HG2#  ))
     6 6 0 peak 22312 weight  0.1000E+01 volume 2.95440 ppm1 8.124 ppm2 0.891
ASSI { 22322}
  (( segid "SEGA" and resid 97  and name HA  ))
  (( segid "SEGA" and resid 96  and name HA  ))
     6 6 0 peak 22322 weight  0.1000E+01 volume 4.75800 ppm1 3.247 ppm2 4.646
ASSI { 22332}
  (( segid "SEGA" and resid 95  and name HG2#  ))
  (( segid "SEGA" and resid 96  and name HA  ))
     6 6 0 peak 22332 weight  0.1000E+01 volume 3.91290 ppm1 1.093 ppm2 4.638
ASSI { 22362}
  (( segid "SEGA" and resid 23  and name HA  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 22362 weight  0.1000E+01 volume 6.47710 ppm1 4.915 ppm2 1.103
ASSI { 22372}
  (( segid "SEGA" and resid 96  and name HA  ))
  (( segid "SEGA" and resid 95  and name HG2#  ))
     6 6 0 peak 22372 weight  0.1000E+01 volume 16.88090 ppm1 4.642 ppm2 1.098
ASSI { 22392}
  (( segid "SEGA" and resid 95  and name HA  ))
  (( segid "SEGA" and resid 95  and name HG11  ))
     6 6 0 peak 22392 weight  0.1000E+01 volume 17.77880 ppm1 4.413 ppm2 2.054
ASSI { 22402}
  (( segid "SEGA" and resid 116  and name HD1#  ))
  (( segid "SEGA" and resid 116  and name HB2  ))
     6 6 0 peak 22402 weight  0.1000E+01 volume 22.64020 ppm1 1.003 ppm2 1.872
ASSI { 22422}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 95  and name HB  ))
     6 6 0 peak 22422 weight  0.1000E+01 volume 5.11150 ppm1 7.495 ppm2 1.848
ASSI { 22442}
  (( segid "SEGA" and resid 26  and name HB2  ))
  (( segid "SEGA" and resid 94  and name HG2  ))
     6 6 0 peak 22442 weight  0.1000E+01 volume 11.52130 ppm1 1.454 ppm2 2.122
ASSI { 22452}
  (( segid "SEGA" and resid 26  and name HA  ))
  (( segid "SEGA" and resid 94  and name HA  ))
     6 6 0 peak 22452 weight  0.1000E+01 volume 2.41530 ppm1 3.640 ppm2 4.622
ASSI { 22462}
  (( segid "SEGA" and resid 92  and name HG12  ))
  (( segid "SEGA" and resid 92  and name HA  ))
     6 6 0 peak 22462 weight  0.1000E+01 volume 10.49290 ppm1 0.560 ppm2 4.720
ASSI { 22472}
  (( segid "SEGA" and resid 92  and name HD1#  ))
  (( segid "SEGA" and resid 92  and name HA  ))
     6 6 0 peak 22472 weight  0.1000E+01 volume 20.70400 ppm1 0.834 ppm2 4.724
ASSI { 22482}
  (( segid "SEGA" and resid 76  and name HA  ))
  (( segid "SEGA" and resid 92  and name HG12  ))
     6 6 0 peak 22482 weight  0.1000E+01 volume 3.66800 ppm1 5.078 ppm2 0.555
ASSI { 22492}
  (( segid "SEGA" and resid 92  and name HA  ))
  (( segid "SEGA" and resid 92  and name HG12  ))
     6 6 0 peak 22492 weight  0.1000E+01 volume 4.60520 ppm1 4.710 ppm2 0.561
ASSI { 22502}
  (( segid "SEGA" and resid 92  and name HA  ))
  (( segid "SEGA" and resid 92  and name HG11  ))
     6 6 0 peak 22502 weight  0.1000E+01 volume 3.27420 ppm1 4.722 ppm2 1.148
ASSI { 22542}
  (( segid "SEGA" and resid 90  and name HE1  ))
  (( segid "SEGA" and resid 90  and name HB1  ))
     6 6 0 peak 22542 weight  0.1000E+01 volume 7.76690 ppm1 7.299 ppm2 2.863
ASSI { 22642}
  (( segid "SEGA" and resid 93  and name HA  ))
  (( segid "SEGA" and resid 93  and name HG2  ))
     6 6 0 peak 22642 weight  0.1000E+01 volume 8.57010 ppm1 4.702 ppm2 1.486
ASSI { 22682}
  (( segid "SEGA" and resid 85  and name HG1  ))
  (( segid "SEGA" and resid 85  and name HB1  ))
     6 6 0 peak 22682 weight  0.1000E+01 volume 55.24990 ppm1 1.697 ppm2 2.024
ASSI { 22692}
  (( segid "SEGA" and resid 85  and name HG2  ))
  (( segid "SEGA" and resid 85  and name HB1  ))
     6 6 0 peak 22692 weight  0.1000E+01 volume 44.99230 ppm1 1.530 ppm2 2.024
ASSI { 22802}
  (( segid "SEGA" and resid 46  and name HB#  ))
  (( segid "SEGA" and resid 46  and name HA  ))
     6 6 0 peak 22802 weight  0.1000E+01 volume 19.83460 ppm1 -0.084 ppm2 3.539
ASSI { 22842}
  (( segid "SEGA" and resid 109  and name HB1  ))
  (( segid "SEGA" and resid 109  and name HA  ))
     6 6 0 peak 22842 weight  0.1000E+01 volume 5.40670 ppm1 2.978 ppm2 4.360
ASSI { 22852}
  (( segid "SEGA" and resid 109  and name HB2  ))
  (( segid "SEGA" and resid 109  and name HA  ))
     6 6 0 peak 22852 weight  0.1000E+01 volume 3.91500 ppm1 2.802 ppm2 4.372
ASSI { 22872}
  (( segid "SEGA" and resid 105  and name HA  ))
  (( segid "SEGA" and resid 105  and name HB1  ))
     6 6 0 peak 22872 weight  0.1000E+01 volume 4.14850 ppm1 4.444 ppm2 3.033
ASSI { 22882}
  (( segid "SEGA" and resid 106  and name HA2  ))
  (( segid "SEGA" and resid 106  and name HA1  ))
     6 6 0 peak 22882 weight  0.1000E+01 volume 15.25990 ppm1 3.548 ppm2 4.141
ASSI { 22902}
  (( segid "SEGA" and resid 106  and name HA1  ))
  (( segid "SEGA" and resid 106  and name HA2  ))
     6 6 0 peak 22902 weight  0.1000E+01 volume 13.79160 ppm1 4.139 ppm2 3.546
ASSI { 23012}
  (( segid "SEGA" and resid 71  and name HA  ))
  (( segid "SEGA" and resid 102  and name HG2#  ))
     6 6 0 peak 23012 weight  0.1000E+01 volume 8.57730 ppm1 4.746 ppm2 0.861
ASSI { 23052}
  (( segid "SEGA" and resid 48  and name HG1  ))
  (( segid "SEGA" and resid 45  and name HA  ))
     6 6 0 peak 23052 weight  0.1000E+01 volume 4.97610 ppm1 2.362 ppm2 4.313
ASSI { 23092}
  (( segid "SEGA" and resid 43  and name HZ3  ))
  (( segid "SEGA" and resid 47  and name HG  ))
     6 6 0 peak 23092 weight  0.1000E+01 volume 7.32630 ppm1 7.014 ppm2 1.757
ASSI { 23102}
  (( segid "SEGA" and resid 111  and name HG  ))
  (( segid "SEGA" and resid 112  and name HB1  ))
     6 6 0 peak 23102 weight  0.1000E+01 volume 7.15330 ppm1 1.475 ppm2 3.883
ASSI { 23122}
  (( segid "SEGA" and resid 36  and name HB  ))
  (( segid "SEGA" and resid 36  and name HG2#  ))
     6 6 0 peak 23122 weight  0.1000E+01 volume 19.09000 ppm1 1.747 ppm2 0.778
ASSI { 23132}
  (( segid "SEGA" and resid 43  and name HZ2  ))
  (( segid "SEGA" and resid 37  and name HB  ))
     6 6 0 peak 23132 weight  0.1000E+01 volume 3.72680 ppm1 7.476 ppm2 2.066
ASSI { 23142}
  (( segid "SEGA" and resid 59  and name HA  ))
  (( segid "SEGA" and resid 37  and name HB  ))
     6 6 0 peak 23142 weight  0.1000E+01 volume 4.16850 ppm1 5.735 ppm2 2.069
ASSI { 23152}
  (( segid "SEGA" and resid 84  and name HD2#  ))
  (( segid "SEGA" and resid 37  and name HB  ))
     6 6 0 peak 23152 weight  0.1000E+01 volume 8.01150 ppm1 0.871 ppm2 2.063
ASSI { 23202}
  (( segid "SEGA" and resid 22  and name HG1  ))
  (( segid "SEGA" and resid 22  and name HD2  ))
     6 6 0 peak 23202 weight  0.1000E+01 volume 36.48110 ppm1 0.550 ppm2 1.431
ASSI { 23212}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 22  and name HD2  ))
     6 6 0 peak 23212 weight  0.1000E+01 volume 5.98130 ppm1 7.494 ppm2 1.438
ASSI { 23222}
  (( segid "SEGA" and resid 5  and name HA  ))
  (( segid "SEGA" and resid 22  and name HD1  ))
     6 6 0 peak 23222 weight  0.1000E+01 volume 34.24870 ppm1 4.423 ppm2 1.640
ASSI { 23242}
  (( segid "SEGA" and resid 116  and name HB2  ))
  (( segid "SEGA" and resid 116  and name HB1  ))
     6 6 0 peak 23242 weight  0.1000E+01 volume 17.69430 ppm1 1.863 ppm2 1.589
ASSI { 23302}
  (( segid "SEGA" and resid 22  and name HB1  ))
  (( segid "SEGA" and resid 97  and name HD1#  ))
     6 6 0 peak 23302 weight  0.1000E+01 volume 5.19600 ppm1 1.797 ppm2 1.014
ASSI { 23462}
  (( segid "SEGA" and resid 42  and name HB1  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 23462 weight  0.1000E+01 volume 5.79920 ppm1 2.487 ppm2 -0.091
ASSI { 23492}
  (( segid "SEGA" and resid 47  and name HD2#  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 23492 weight  0.1000E+01 volume 5.47590 ppm1 0.856 ppm2 0.095
ASSI { 23612}
  (( segid "SEGA" and resid 74  and name HA  ))
  (( segid "SEGA" and resid 74  and name HG1  ))
     6 6 0 peak 23612 weight  0.1000E+01 volume 2.00780 ppm1 4.614 ppm2 1.959
ASSI { 23672}
  (( segid "SEGA" and resid 6  and name HG1#  ))
  (( segid "SEGA" and resid 5  and name HA  ))
     6 6 0 peak 23672 weight  0.1000E+01 volume 7.29910 ppm1 0.858 ppm2 4.421
ASSI { 23682}
  (( segid "SEGA" and resid 89  and name HA  ))
  (( segid "SEGA" and resid 89  and name HG2#  ))
     6 6 0 peak 23682 weight  0.1000E+01 volume 11.91190 ppm1 5.046 ppm2 0.069
ASSI { 23752}
  (( segid "SEGA" and resid 80  and name HD1#  ))
  (( segid "SEGA" and resid 87  and name HE#  ))
     6 6 0 peak 23752 weight  0.1000E+01 volume 4.25470 ppm1 0.647 ppm2 1.602
ASSI { 23762}
  (( segid "SEGA" and resid 60  and name HA  ))
  (( segid "SEGA" and resid 36  and name HB  ))
     6 6 0 peak 23762 weight  0.1000E+01 volume 2.68630 ppm1 4.975 ppm2 1.755
ASSI { 23782}
  (( segid "SEGA" and resid 109  and name HA  ))
  (( segid "SEGA" and resid 109  and name HB1  ))
     6 6 0 peak 23782 weight  0.1000E+01 volume 5.73950 ppm1 4.335 ppm2 2.997
ASSI { 23812}
  (( segid "SEGA" and resid 68  and name HE1  ))
  (( segid "SEGA" and resid 89  and name HG12  ))
     6 6 0 peak 23812 weight  0.1000E+01 volume 2.08330 ppm1 6.868 ppm2 0.598
ASSI { 23852}
  (( segid "SEGA" and resid 116  and name HD1#  ))
  (( segid "SEGA" and resid 72  and name HA  ))
     6 6 0 peak 23852 weight  0.1000E+01 volume 26.56270 ppm1 1.007 ppm2 4.226
ASSI { 23862}
  (( segid "SEGA" and resid 116  and name HD1#  ))
  (( segid "SEGA" and resid 72  and name HA  ))
     6 6 0 peak 23862 weight  0.1000E+01 volume 6.63750 ppm1 1.003 ppm2 4.438
ASSI { 23872}
  (( segid "SEGA" and resid 116  and name HD2#  ))
  (( segid "SEGA" and resid 72  and name HA  ))
     6 6 0 peak 23872 weight  0.1000E+01 volume 10.50540 ppm1 0.839 ppm2 4.226
ASSI { 23882}
  (( segid "SEGA" and resid 73  and name HB1  ))
  (( segid "SEGA" and resid 72  and name HA  ))
     6 6 0 peak 23882 weight  0.1000E+01 volume 17.17710 ppm1 2.693 ppm2 4.439
ASSI { 23892}
  (( segid "SEGA" and resid 109  and name HD1  ))
  (( segid "SEGA" and resid 111  and name HD1#  ))
     6 6 0 peak 23892 weight  0.1000E+01 volume 7.42250 ppm1 6.655 ppm2 0.904
ASSI { 23922}
  (( segid "SEGA" and resid 116  and name HA  ))
  (( segid "SEGA" and resid 116  and name HB2  ))
     6 6 0 peak 23922 weight  0.1000E+01 volume 9.34980 ppm1 4.234 ppm2 1.873
ASSI { 23932}
  (( segid "SEGA" and resid 116  and name HB2  ))
  (( segid "SEGA" and resid 116  and name HD2#  ))
     6 6 0 peak 23932 weight  0.1000E+01 volume 11.54480 ppm1 1.842 ppm2 0.839
ASSI { 23942}
  (( segid "SEGA" and resid 116  and name HB2  ))
  (( segid "SEGA" and resid 116  and name HA  ))
     6 6 0 peak 23942 weight  0.1000E+01 volume 12.89250 ppm1 1.859 ppm2 4.252
ASSI { 23952}
  (( segid "SEGA" and resid 119  and name HA  ))
  (( segid "SEGA" and resid 112  and name HA  ))
     6 6 0 peak 23952 weight  0.1000E+01 volume 49.94520 ppm1 4.618 ppm2 4.436
ASSI { 24012}
  (( segid "SEGA" and resid 76  and name HB#  ))
  (( segid "SEGA" and resid 75  and name HB1  ))
     6 6 0 peak 24012 weight  0.1000E+01 volume 3.32120 ppm1 1.040 ppm2 3.146
ASSI { 24032}
  (( segid "SEGA" and resid 33  and name HB2  ))
  (( segid "SEGA" and resid 63  and name HA2  ))
     6 6 0 peak 24032 weight  0.1000E+01 volume 3.23620 ppm1 2.640 ppm2 3.263
ASSI { 24042}
  (( segid "SEGA" and resid 36  and name HB  ))
  (( segid "SEGA" and resid 60  and name HA  ))
     6 6 0 peak 24042 weight  0.1000E+01 volume 2.61730 ppm1 1.743 ppm2 4.982
ASSI { 24052}
  (( segid "SEGA" and resid 67  and name HD1#  ))
  (( segid "SEGA" and resid 64  and name HB1  ))
     6 6 0 peak 24052 weight  0.1000E+01 volume 1.75380 ppm1 0.891 ppm2 3.101
ASSI { 24152}
  (( segid "SEGA" and resid 89  and name HD1#  ))
  (( segid "SEGA" and resid 67  and name HG2#  ))
     6 6 0 peak 24152 weight  0.1000E+01 volume 24.57480 ppm1 0.375 ppm2 0.737
ASSI { 24162}
  (( segid "SEGA" and resid 89  and name HD1#  ))
  (( segid "SEGA" and resid 67  and name HD1#  ))
     6 6 0 peak 24162 weight  0.1000E+01 volume 22.55970 ppm1 0.364 ppm2 0.903
ASSI { 24172}
  (( segid "SEGA" and resid 22  and name HA  ))
  (( segid "SEGA" and resid 22  and name HD1  ))
     6 6 0 peak 24172 weight  0.1000E+01 volume 5.50200 ppm1 4.580 ppm2 1.628
ASSI { 24182}
  (( segid "SEGA" and resid 22  and name HA  ))
  (( segid "SEGA" and resid 22  and name HD2  ))
     6 6 0 peak 24182 weight  0.1000E+01 volume 5.91000 ppm1 4.585 ppm2 1.444
ASSI { 24232}
  (( segid "SEGA" and resid 37  and name HG2#  ))
  (( segid "SEGA" and resid 84  and name HB2  ))
     6 6 0 peak 24232 weight  0.1000E+01 volume 9.74840 ppm1 0.953 ppm2 1.709
ASSI { 24282}
  (( segid "SEGA" and resid 39  and name HD2  ))
  (( segid "SEGA" and resid 57  and name HB2  ))
     6 6 0 peak 24282 weight  0.1000E+01 volume 12.10030 ppm1 7.285 ppm2 1.825
ASSI { 24292}
  (( segid "SEGA" and resid 58  and name HB1  ))
  (( segid "SEGA" and resid 58  and name HB2  ))
     6 6 0 peak 24292 weight  0.1000E+01 volume 9.55730 ppm1 3.340 ppm2 3.247
ASSI { 24312}
  (( segid "SEGA" and resid 58  and name HA  ))
  (( segid "SEGA" and resid 58  and name HB1  ))
     6 6 0 peak 24312 weight  0.1000E+01 volume 6.09650 ppm1 5.640 ppm2 3.342
ASSI { 24362}
  (( segid "SEGA" and resid 22  and name HG1  ))
  (( segid "SEGA" and resid 22  and name HE2  ))
     6 6 0 peak 24362 weight  0.1000E+01 volume 26.43320 ppm1 0.553 ppm2 2.463
ASSI { 24372}
  (( segid "SEGA" and resid 22  and name HG2  ))
  (( segid "SEGA" and resid 22  and name HE2  ))
     6 6 0 peak 24372 weight  0.1000E+01 volume 23.63620 ppm1 1.265 ppm2 2.460
ASSI { 24382}
  (( segid "SEGA" and resid 22  and name HD2  ))
  (( segid "SEGA" and resid 22  and name HE2  ))
     6 6 0 peak 24382 weight  0.1000E+01 volume 45.48420 ppm1 1.440 ppm2 2.459
ASSI { 24392}
  (( segid "SEGA" and resid 22  and name HD1  ))
  (( segid "SEGA" and resid 22  and name HE2  ))
     6 6 0 peak 24392 weight  0.1000E+01 volume 56.65210 ppm1 1.632 ppm2 2.461
ASSI { 24402}
  (( segid "SEGA" and resid 22  and name HB1  ))
  (( segid "SEGA" and resid 22  and name HE2  ))
     6 6 0 peak 24402 weight  0.1000E+01 volume 4.95110 ppm1 1.792 ppm2 2.459
ASSI { 24412}
  (( segid "SEGA" and resid 22  and name HG1  ))
  (( segid "SEGA" and resid 22  and name HE1  ))
     6 6 0 peak 24412 weight  0.1000E+01 volume 7.01860 ppm1 0.563 ppm2 2.883
ASSI { 24432}
  (( segid "SEGA" and resid 5  and name HD2  ))
  (( segid "SEGA" and resid 5  and name HG2  ))
     6 6 0 peak 24432 weight  0.1000E+01 volume 20.02730 ppm1 3.530 ppm2 1.968
ASSI { 24442}
  (( segid "SEGA" and resid 24  and name HZ  ))
  (( segid "SEGA" and resid 5  and name HG2  ))
     6 6 0 peak 24442 weight  0.1000E+01 volume 3.77090 ppm1 7.348 ppm2 1.971
ASSI { 24452}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 5  and name HG2  ))
     6 6 0 peak 24452 weight  0.1000E+01 volume 6.55330 ppm1 7.490 ppm2 1.978
ASSI { 24462}
  (( segid "SEGA" and resid 24  and name HZ  ))
  (( segid "SEGA" and resid 5  and name HG1  ))
     6 6 0 peak 24462 weight  0.1000E+01 volume 3.93830 ppm1 7.348 ppm2 1.752
ASSI { 24472}
  (( segid "SEGA" and resid 24  and name HE1  ))
  (( segid "SEGA" and resid 5  and name HG1  ))
     6 6 0 peak 24472 weight  0.1000E+01 volume 4.89380 ppm1 7.493 ppm2 1.737
ASSI { 24492}
  (( segid "SEGA" and resid 22  and name HE2  ))
  (( segid "SEGA" and resid 22  and name HB2  ))
     6 6 0 peak 24492 weight  0.1000E+01 volume 6.21600 ppm1 2.461 ppm2 1.766
ASSI { 24502}
  (( segid "SEGA" and resid 5  and name HA  ))
  (( segid "SEGA" and resid 22  and name HB2  ))
     6 6 0 peak 24502 weight  0.1000E+01 volume 6.05420 ppm1 4.436 ppm2 1.754
ASSI { 24512}
  (( segid "SEGA" and resid 22  and name HG1  ))
  (( segid "SEGA" and resid 22  and name HB2  ))
     6 6 0 peak 24512 weight  0.1000E+01 volume 8.78390 ppm1 0.610 ppm2 1.758
ASSI { 24522}
  (( segid "SEGA" and resid 5  and name HD2  ))
  (( segid "SEGA" and resid 22  and name HE2  ))
     6 6 0 peak 24522 weight  0.1000E+01 volume 13.01080 ppm1 3.532 ppm2 2.463
ASSI { 24562}
  (( segid "SEGA" and resid 22  and name HE2  ))
  (( segid "SEGA" and resid 22  and name HG1  ))
     6 6 0 peak 24562 weight  0.1000E+01 volume 7.32890 ppm1 2.472 ppm2 0.569
ASSI { 24582}
  (( segid "SEGA" and resid 22  and name HD1  ))
  (( segid "SEGA" and resid 22  and name HE1  ))
     6 6 0 peak 24582 weight  0.1000E+01 volume 70.90810 ppm1 1.634 ppm2 2.889
ASSI { 24592}
  (( segid "SEGA" and resid 22  and name HD2  ))
  (( segid "SEGA" and resid 22  and name HE1  ))
     6 6 0 peak 24592 weight  0.1000E+01 volume 32.95260 ppm1 1.440 ppm2 2.897
ASSI { 24612}
  (( segid "SEGA" and resid 22  and name HG1  ))
  (( segid "SEGA" and resid 22  and name HA  ))
     6 6 0 peak 24612 weight  0.1000E+01 volume 5.55650 ppm1 0.548 ppm2 4.587
ASSI { 24622}
  (( segid "SEGA" and resid 22  and name HE1  ))
  (( segid "SEGA" and resid 22  and name HA  ))
     6 6 0 peak 24622 weight  0.1000E+01 volume 3.84060 ppm1 2.886 ppm2 4.583
ASSI { 24632}
  (( segid "SEGA" and resid 22  and name HE1  ))
  (( segid "SEGA" and resid 22  and name HG1  ))
     6 6 0 peak 24632 weight  0.1000E+01 volume 5.40200 ppm1 2.884 ppm2 0.575
ASSI { 24642}
  (( segid "SEGA" and resid 87  and name HE#  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 24642 weight  0.1000E+01 volume 17.48980 ppm1 1.625 ppm2 0.665
ASSI { 24652}
  (( segid "SEGA" and resid 63  and name HA2  ))
  (( segid "SEGA" and resid 33  and name HB2  ))
     6 6 0 peak 24652 weight  0.1000E+01 volume 12.22600 ppm1 3.285 ppm2 2.642
ASSI { 24662}
  (( segid "SEGA" and resid 68  and name HD1  ))
  (( segid "SEGA" and resid 89  and name HG2#  ))
     6 6 0 peak 24662 weight  0.1000E+01 volume 3.87070 ppm1 7.489 ppm2 0.050
ASSI { 24672}
  (( segid "SEGA" and resid 80  and name HD1#  ))
  (( segid "SEGA" and resid 52  and name HB1  ))
     6 6 0 peak 24672 weight  0.1000E+01 volume 5.25040 ppm1 0.662 ppm2 3.104
ASSI { 24682}
  (( segid "SEGA" and resid 22  and name HG2  ))
  (( segid "SEGA" and resid 22  and name HE1  ))
     6 6 0 peak 24682 weight  0.1000E+01 volume 28.98640 ppm1 1.272 ppm2 2.883
ASSI { 24692}
  (( segid "SEGA" and resid 54  and name HD1  ))
  (( segid "SEGA" and resid 82  and name HB#  ))
     6 6 0 peak 24692 weight  0.1000E+01 volume 2.63520 ppm1 3.193 ppm2 1.530
ASSI { 24712}
  (( segid "SEGA" and resid 54  and name HD1  ))
  (( segid "SEGA" and resid 83  and name HA2  ))
     6 6 0 peak 24712 weight  0.1000E+01 volume 2.80120 ppm1 3.194 ppm2 3.970
ASSI { 24732}
  (( segid "SEGA" and resid 67  and name HA  ))
  (( segid "SEGA" and resid 16  and name HB2  ))
     6 6 0 peak 24732 weight  0.1000E+01 volume 6.63030 ppm1 3.891 ppm2 2.853
ASSI { 24742}
  (( segid "SEGA" and resid 67  and name HA  ))
  (( segid "SEGA" and resid 16  and name HB1  ))
     6 6 0 peak 24742 weight  0.1000E+01 volume 6.88480 ppm1 3.885 ppm2 2.750
ASSI { 24832}
  (( segid "SEGA" and resid 34  and name HD1#  ))
  (( segid "SEGA" and resid 86  and name HG2  ))
     6 6 0 peak 24832 weight  0.1000E+01 volume 12.68550 ppm1 0.584 ppm2 1.607
ASSI { 24852}
  (( segid "SEGA" and resid 86  and name HD1  ))
  (( segid "SEGA" and resid 86  and name HG2  ))
     6 6 0 peak 24852 weight  0.1000E+01 volume 34.40260 ppm1 3.085 ppm2 1.615
ASSI { 24892}
  (( segid "SEGA" and resid 47  and name HD2#  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 24892 weight  0.1000E+01 volume 4.62240 ppm1 0.862 ppm2 -0.352
ASSI { 24922}
  (( segid "SEGA" and resid 47  and name HG  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 24922 weight  0.1000E+01 volume 19.26710 ppm1 1.713 ppm2 0.101
ASSI { 24932}
  (( segid "SEGA" and resid 47  and name HG  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 24932 weight  0.1000E+01 volume 15.21910 ppm1 1.723 ppm2 -0.359
ASSI { 24992}
  (( segid "SEGA" and resid 51  and name HD2#  ))
  (( segid "SEGA" and resid 60  and name HA  ))
     6 6 0 peak 24992 weight  0.1000E+01 volume 1.67430 ppm1 0.097 ppm2 4.965
ASSI { 25032}
  (( segid "SEGA" and resid 31  and name HA  ))
  (( segid "SEGA" and resid 31  and name HG1  ))
     6 6 0 peak 25032 weight  0.1000E+01 volume 9.03560 ppm1 5.098 ppm2 2.355
ASSI { 25122}
  (( segid "SEGA" and resid 113  and name HD2  ))
  (( segid "SEGA" and resid 113  and name HG1  ))
     6 6 0 peak 25122 weight  0.1000E+01 volume 2.52640 ppm1 2.513 ppm2 1.603
ASSI { 25132}
  (( segid "SEGA" and resid 114  and name HB1  ))
  (( segid "SEGA" and resid 114  and name HB2  ))
     6 6 0 peak 25132 weight  0.1000E+01 volume 42.01880 ppm1 1.916 ppm2 2.304
ASSI { 25142}
  (( segid "SEGA" and resid 114  and name HG1  ))
  (( segid "SEGA" and resid 114  and name HB2  ))
     6 6 0 peak 25142 weight  0.1000E+01 volume 20.36750 ppm1 2.059 ppm2 2.305
ASSI { 25192}
  (( segid "SEGA" and resid 46  and name HB#  ))
  (( segid "SEGA" and resid 43  and name HA  ))
     6 6 0 peak 25192 weight  0.1000E+01 volume 3.54950 ppm1 -0.096 ppm2 4.981
ASSI { 25212}
  (( segid "SEGA" and resid 116  and name HD1#  ))
  (( segid "SEGA" and resid 116  and name HA  ))
     6 6 0 peak 25212 weight  0.1000E+01 volume 14.41050 ppm1 1.004 ppm2 4.245
ASSI { 25262}
  (( segid "SEGA" and resid 39  and name HD2  ))
  (( segid "SEGA" and resid 57  and name HG2  ))
     6 6 0 peak 25262 weight  0.1000E+01 volume 1.17190 ppm1 7.291 ppm2 2.511
ASSI { 25272}
  (( segid "SEGA" and resid 39  and name HD2  ))
  (( segid "SEGA" and resid 57  and name HG1  ))
     6 6 0 peak 25272 weight  0.1000E+01 volume 3.19890 ppm1 7.297 ppm2 2.748
ASSI { 25282}
  (( segid "SEGA" and resid 115  and name HD1  ))
  (( segid "SEGA" and resid 115  and name HB1  ))
     6 6 0 peak 25282 weight  0.1000E+01 volume 7.31600 ppm1 3.280 ppm2 1.824
ASSI { 25292}
  (( segid "SEGA" and resid 115  and name HA  ))
  (( segid "SEGA" and resid 115  and name HD1  ))
     6 6 0 peak 25292 weight  0.1000E+01 volume 12.82940 ppm1 4.406 ppm2 3.282
ASSI { 25302}
  (( segid "SEGA" and resid 115  and name HD1  ))
  (( segid "SEGA" and resid 115  and name HB2  ))
     6 6 0 peak 25302 weight  0.1000E+01 volume 4.46710 ppm1 3.280 ppm2 1.904
ASSI { 25312}
  (( segid "SEGA" and resid 113  and name HA  ))
  (( segid "SEGA" and resid 115  and name HD1  ))
     6 6 0 peak 25312 weight  0.1000E+01 volume 8.69900 ppm1 4.595 ppm2 3.277
ASSI { 25322}
  (( segid "SEGA" and resid 114  and name HD2  ))
  (( segid "SEGA" and resid 115  and name HD1  ))
     6 6 0 peak 25322 weight  0.1000E+01 volume 5.48720 ppm1 3.712 ppm2 3.279
ASSI { 25572}
  (( segid "SEGA" and resid 116  and name HA  ))
  (( segid "SEGA" and resid 116  and name HD1#  ))
     6 6 0 peak 25572 weight  0.1000E+01 volume 14.66030 ppm1 4.232 ppm2 1.002
ASSI { 25582}
  (( segid "SEGA" and resid 105  and name HD1  ))
  (( segid "SEGA" and resid 105  and name HB2  ))
     6 6 0 peak 25582 weight  0.1000E+01 volume 1.87790 ppm1 6.914 ppm2 2.815
ASSI { 25642}
  (( segid "SEGA" and resid 72  and name HA  ))
  (( segid "SEGA" and resid 116  and name HD1#  ))
     6 6 0 peak 25642 weight  0.1000E+01 volume 12.15470 ppm1 4.440 ppm2 1.006
ASSI { 25652}
  (( segid "SEGA" and resid 116  and name HD1#  ))
  (( segid "SEGA" and resid 116  and name HD2#  ))
     6 6 0 peak 25652 weight  0.1000E+01 volume 75.48020 ppm1 1.007 ppm2 0.834
ASSI { 25662}
  (( segid "SEGA" and resid 109  and name HD1  ))
  (( segid "SEGA" and resid 111  and name HD2#  ))
     6 6 0 peak 25662 weight  0.1000E+01 volume 2.49170 ppm1 6.654 ppm2 0.920
ASSI { 25682}
  (( segid "SEGA" and resid 72  and name HE2  ))
  (( segid "SEGA" and resid 111  and name HD2#  ))
     6 6 0 peak 25682 weight  0.1000E+01 volume 2.54680 ppm1 3.036 ppm2 0.930
! F3 (1H): 0.03 ppm
! F2 (X): 0.3 ppm
! F1 (1H): 0.03 ppm
!The last digit in peak ID is the spectrum number
assi (( attr rmsd < 4.454  and attr rmsd >  4.394  ) 
  and bondedto( attr rmsd <  58.802  and attr rmsd > 58.202  )) 
     ( attr rmsd < 1.662  and attr rmsd > 1.602  ) 
  6 6 0  peak  902  volume  75.15190 ppm1  4.424  ppm2  1.632
assi (( attr rmsd < 4.454  and attr rmsd >  4.394  ) 
  and bondedto( attr rmsd <  58.831  and attr rmsd > 58.231  )) 
     ( attr rmsd < 1.476  and attr rmsd > 1.416  ) 
  6 6 0  peak  912  volume  15.99710 ppm1  4.424  ppm2  1.446
assi (( attr rmsd < 3.927  and attr rmsd >  3.867  ) 
  and bondedto( attr rmsd <  55.806  and attr rmsd > 55.206  )) 
     ( attr rmsd < 0.592  and attr rmsd > 0.532  ) 
  6 6 0  peak  1472  volume  3.74070 ppm1  3.897  ppm2  0.562
assi (( attr rmsd < 4.928  and attr rmsd >  4.868  ) 
  and bondedto( attr rmsd <  54.923  and attr rmsd > 54.323  )) 
     ( attr rmsd < 6.95  and attr rmsd > 6.89  ) 
  6 6 0  peak  1552  volume  64.01440 ppm1  4.898  ppm2  6.920
assi (( attr rmsd < 5.356  and attr rmsd >  5.296  ) 
  and bondedto( attr rmsd <  54.176  and attr rmsd > 53.576  )) 
     ( attr rmsd < 1.42  and attr rmsd > 1.36  ) 
  6 6 0  peak  1832  volume  43.63710 ppm1  5.326  ppm2  1.390
assi (( attr rmsd < 2.219  and attr rmsd >  2.159  ) 
  and bondedto( attr rmsd <  35.84  and attr rmsd > 35.24  )) 
     ( attr rmsd < 4.31  and attr rmsd > 4.25  ) 
  6 6 0  peak  3152  volume  21.65500 ppm1  2.189  ppm2  4.280
assi (( attr rmsd < 2.443  and attr rmsd >  2.383  ) 
  and bondedto( attr rmsd <  34.182  and attr rmsd > 33.582  )) 
     ( attr rmsd < 4.488  and attr rmsd > 4.428  ) 
  6 6 0  peak  3212  volume  21.17670 ppm1  2.413  ppm2  4.458
assi (( attr rmsd < 1.588  and attr rmsd >  1.528  ) 
  and bondedto( attr rmsd <  25.6  and attr rmsd > 25  )) 
     ( attr rmsd < 3.892  and attr rmsd > 3.832  ) 
  6 6 0  peak  4212  volume  166.41650 ppm1  1.558  ppm2  3.862
assi (( attr rmsd < 1.583  and attr rmsd >  1.523  ) 
  and bondedto( attr rmsd <  25.6  and attr rmsd > 25  )) 
     ( attr rmsd < 3.148  and attr rmsd > 3.088  ) 
  6 6 0  peak  4222  volume  39.36060 ppm1  1.553  ppm2  3.118
assi (( attr rmsd < 0.943  and attr rmsd >  0.883  ) 
  and bondedto( attr rmsd <  25.334  and attr rmsd > 24.734  )) 
     ( attr rmsd < 2.756  and attr rmsd > 2.696  ) 
  6 6 0  peak  4322  volume  51.56920 ppm1  0.913  ppm2  2.726
assi (( attr rmsd < 0.134  and attr rmsd >  0.074  ) 
  and bondedto( attr rmsd <  24.544  and attr rmsd > 23.944  )) 
     ( attr rmsd < 3.67  and attr rmsd > 3.61  ) 
  6 6 0  peak  4532  volume  20.39360 ppm1  0.104  ppm2  3.640
assi (( attr rmsd < 0.986  and attr rmsd >  0.926  ) 
  and bondedto( attr rmsd <  22.361  and attr rmsd > 21.761  )) 
     ( attr rmsd < 1.566  and attr rmsd > 1.506  ) 
  6 6 0  peak  5002  volume  167.14079 ppm1  0.956  ppm2  1.536
assi (( attr rmsd < 0.465  and attr rmsd >  0.405  ) 
  and bondedto( attr rmsd <  22.074  and attr rmsd > 21.474  )) 
     ( attr rmsd < 1.307  and attr rmsd > 1.247  ) 
  6 6 0  peak  5072  volume  11.94350 ppm1  0.435  ppm2  1.277
assi (( attr rmsd < -0.334  and attr rmsd >  -0.394  ) 
  and bondedto( attr rmsd <  21.532  and attr rmsd > 20.932  )) 
     ( attr rmsd < 3.217  and attr rmsd > 3.157  ) 
  6 6 0  peak  5172  volume  3.49470 ppm1  -0.364  ppm2  3.187
assi (( attr rmsd < 2.158  and attr rmsd >  2.098  ) 
  and bondedto( attr rmsd <  20.027  and attr rmsd > 19.427  )) 
     ( attr rmsd < 1.051  and attr rmsd > 0.991  ) 
  6 6 0  peak  5492  volume  48.48110 ppm1  2.128  ppm2  1.021
assi (( attr rmsd < 1.697  and attr rmsd >  1.637  ) 
  and bondedto( attr rmsd <  19.333  and attr rmsd > 18.733  )) 
     ( attr rmsd < 7.249  and attr rmsd > 7.189  ) 
  6 6 0  peak  5522  volume  32.50590 ppm1  1.667  ppm2  7.219
assi (( attr rmsd < 1.696  and attr rmsd >  1.636  ) 
  and bondedto( attr rmsd <  19.333  and attr rmsd > 18.733  )) 
     ( attr rmsd < 6.972  and attr rmsd > 6.912  ) 
  6 6 0  peak  5532  volume  18.82880 ppm1  1.666  ppm2  6.942
assi (( attr rmsd < 1.622  and attr rmsd >  1.562  ) 
  and bondedto( attr rmsd <  18.453  and attr rmsd > 17.853  )) 
     ( attr rmsd < 2.014  and attr rmsd > 1.954  ) 
  6 6 0  peak  5842  volume  86.54540 ppm1  1.592  ppm2  1.984
assi (( attr rmsd < 1.014  and attr rmsd >  0.954  ) 
  and bondedto( attr rmsd <  16.612  and attr rmsd > 16.012  )) 
     ( attr rmsd < 7.27  and attr rmsd > 7.21  ) 
  6 6 0  peak  6102  volume  50.20310 ppm1  0.984  ppm2  7.240
assi (( attr rmsd < 1.015  and attr rmsd >  0.955  ) 
  and bondedto( attr rmsd <  16.627  and attr rmsd > 16.027  )) 
     ( attr rmsd < 1.944  and attr rmsd > 1.884  ) 
  6 6 0  peak  6172  volume  180.67790 ppm1  0.985  ppm2  1.914
assi (( attr rmsd < 1.741  and attr rmsd >  1.681  ) 
  and bondedto( attr rmsd <  16.369  and attr rmsd > 15.769  )) 
     ( attr rmsd < 6.939  and attr rmsd > 6.879  ) 
  6 6 0  peak  6212  volume  66.02250 ppm1  1.711  ppm2  6.909
assi (( attr rmsd < 1.75  and attr rmsd >  1.69  ) 
  and bondedto( attr rmsd <  16.379  and attr rmsd > 15.779  )) 
     ( attr rmsd < 0.756  and attr rmsd > 0.696  ) 
  6 6 0  peak  6272  volume  19.76490 ppm1  1.720  ppm2  0.726
assi (( attr rmsd < 0.709  and attr rmsd >  0.649  ) 
  and bondedto( attr rmsd <  15.42  and attr rmsd > 14.82  )) 
     ( attr rmsd < 4.674  and attr rmsd > 4.614  ) 
  6 6 0  peak  6282  volume  130.91811 ppm1  0.679  ppm2  4.644
assi (( attr rmsd < 0.422  and attr rmsd >  0.362  ) 
  and bondedto( attr rmsd <  14.601  and attr rmsd > 14.001  )) 
     ( attr rmsd < 2.237  and attr rmsd > 2.177  ) 
  6 6 0  peak  6432  volume  45.43540 ppm1  0.392  ppm2  2.207
assi (( attr rmsd < 0.416  and attr rmsd >  0.356  ) 
  and bondedto( attr rmsd <  14.606  and attr rmsd > 14.006  )) 
     ( attr rmsd < 1.439  and attr rmsd > 1.379  ) 
  6 6 0  peak  6442  volume  32.01520 ppm1  0.386  ppm2  1.409
assi (( attr rmsd < 0.848  and attr rmsd >  0.788  ) 
  and bondedto( attr rmsd <  14.192  and attr rmsd > 13.592  )) 
     ( attr rmsd < 1.909  and attr rmsd > 1.849  ) 
  6 6 0  peak  6532  volume  31.25260 ppm1  0.818  ppm2  1.879
assi (( attr rmsd < 0.85  and attr rmsd >  0.79  ) 
  and bondedto( attr rmsd <  14.208  and attr rmsd > 13.608  )) 
     ( attr rmsd < 1.792  and attr rmsd > 1.732  ) 
  6 6 0  peak  6542  volume  21.16650 ppm1  0.820  ppm2  1.762
assi (( attr rmsd < 2.155  and attr rmsd >  2.095  ) 
  and bondedto( attr rmsd <  20.06  and attr rmsd > 19.46  )) 
     ( attr rmsd < 0.492  and attr rmsd > 0.432  ) 
  6 6 0  peak  6752  volume  13.22670 ppm1  2.125  ppm2  0.462
assi (( attr rmsd < 1.438  and attr rmsd >  1.378  ) 
  and bondedto( attr rmsd <  25.24  and attr rmsd > 24.64  )) 
     ( attr rmsd < 7.278  and attr rmsd > 7.218  ) 
  6 6 0  peak  6892  volume  7.89590 ppm1  1.408  ppm2  7.248
assi (( attr rmsd < 1.429  and attr rmsd >  1.369  ) 
  and bondedto( attr rmsd <  25.24  and attr rmsd > 24.64  )) 
     ( attr rmsd < 7.511  and attr rmsd > 7.451  ) 
  6 6 0  peak  6902  volume  4.37380 ppm1  1.399  ppm2  7.481
assi (( attr rmsd < 5.024  and attr rmsd >  4.964  ) 
  and bondedto( attr rmsd <  52.63  and attr rmsd > 52.03  )) 
     ( attr rmsd < 1.476  and attr rmsd > 1.416  ) 
  6 6 0  peak  7022  volume  9.12300 ppm1  4.994  ppm2  1.446
assi (( attr rmsd < 0.945  and attr rmsd >  0.885  ) 
  and bondedto( attr rmsd <  25.334  and attr rmsd > 24.734  )) 
     ( attr rmsd < 1.619  and attr rmsd > 1.559  ) 
  6 6 0  peak  7142  volume  152.04359 ppm1  0.915  ppm2  1.589
assi (( attr rmsd < 1.014  and attr rmsd >  0.954  ) 
  and bondedto( attr rmsd <  16.706  and attr rmsd > 16.106  )) 
     ( attr rmsd < 1.131  and attr rmsd > 1.071  ) 
  6 6 0  peak  7212  volume  23.05220 ppm1  0.984  ppm2  1.101
assi (( attr rmsd < 5.091  and attr rmsd >  5.031  ) 
  and bondedto( attr rmsd <  57.627  and attr rmsd > 57.027  )) 
     ( attr rmsd < 2.475  and attr rmsd > 2.415  ) 
  6 6 0  peak  7412  volume  6.83740 ppm1  5.061  ppm2  2.445
assi (( attr rmsd < 5.035  and attr rmsd >  4.975  ) 
  and bondedto( attr rmsd <  56.887  and attr rmsd > 56.287  )) 
     ( attr rmsd < 1.569  and attr rmsd > 1.509  ) 
  6 6 0  peak  7672  volume  2.34340 ppm1  5.005  ppm2  1.539
assi (( attr rmsd < 1.689  and attr rmsd >  1.629  ) 
  and bondedto( attr rmsd <  19.417  and attr rmsd > 18.817  )) 
     ( attr rmsd < 2.699  and attr rmsd > 2.639  ) 
  6 6 0  peak  7722  volume  29.46100 ppm1  1.659  ppm2  2.669
assi (( attr rmsd < 3.919  and attr rmsd >  3.859  ) 
  and bondedto( attr rmsd <  62.311  and attr rmsd > 61.711  )) 
     ( attr rmsd < 2.264  and attr rmsd > 2.204  ) 
  6 6 0  peak  7952  volume  0.99380 ppm1  3.889  ppm2  2.234
assi (( attr rmsd < 3.69  and attr rmsd >  3.63  ) 
  and bondedto( attr rmsd <  56.79  and attr rmsd > 56.19  )) 
     ( attr rmsd < 0.985  and attr rmsd > 0.925  ) 
  6 6 0  peak  8152  volume  6.59050 ppm1  3.660  ppm2  0.955
assi (( attr rmsd < 2.218  and attr rmsd >  2.158  ) 
  and bondedto( attr rmsd <  36.673  and attr rmsd > 36.073  )) 
     ( attr rmsd < 1.327  and attr rmsd > 1.267  ) 
  6 6 0  peak  8332  volume  28.68350 ppm1  2.188  ppm2  1.297
assi (( attr rmsd < 1.747  and attr rmsd >  1.687  ) 
  and bondedto( attr rmsd <  16.459  and attr rmsd > 15.859  )) 
     ( attr rmsd < 5.02  and attr rmsd > 4.96  ) 
  6 6 0  peak  8702  volume  17.93030 ppm1  1.717  ppm2  4.990
assi (( attr rmsd < 1.745  and attr rmsd >  1.685  ) 
  and bondedto( attr rmsd <  16.459  and attr rmsd > 15.859  )) 
     ( attr rmsd < 7.262  and attr rmsd > 7.202  ) 
  6 6 0  peak  8712  volume  18.16930 ppm1  1.715  ppm2  7.232
assi (( attr rmsd < 0.827  and attr rmsd >  0.767  ) 
  and bondedto( attr rmsd <  22.32  and attr rmsd > 21.72  )) 
     ( attr rmsd < 2.304  and attr rmsd > 2.244  ) 
  6 6 0  peak  9022  volume  25.93060 ppm1  0.797  ppm2  2.274
assi (( attr rmsd < 0.83  and attr rmsd >  0.77  ) 
  and bondedto( attr rmsd <  22.32  and attr rmsd > 21.72  )) 
     ( attr rmsd < 2.369  and attr rmsd > 2.309  ) 
  6 6 0  peak  9032  volume  2.75890 ppm1  0.800  ppm2  2.339
assi (( attr rmsd < 4.448  and attr rmsd >  4.388  ) 
  and bondedto( attr rmsd <  58.859  and attr rmsd > 58.259  )) 
     ( attr rmsd < 1.299  and attr rmsd > 1.239  ) 
  6 6 0  peak  9242  volume  27.19060 ppm1  4.418  ppm2  1.269
assi (( attr rmsd < 3.561  and attr rmsd >  3.501  ) 
  and bondedto( attr rmsd <  44.006  and attr rmsd > 43.406  )) 
     ( attr rmsd < 1.786  and attr rmsd > 1.726  ) 
  6 6 0  peak  9272  volume  78.72160 ppm1  3.531  ppm2  1.756
assi (( attr rmsd < 3.558  and attr rmsd >  3.498  ) 
  and bondedto( attr rmsd <  44.006  and attr rmsd > 43.406  )) 
     ( attr rmsd < 2  and attr rmsd > 1.94  ) 
  6 6 0  peak  9282  volume  68.94430 ppm1  3.528  ppm2  1.970
assi (( attr rmsd < 4.922  and attr rmsd >  4.862  ) 
  and bondedto( attr rmsd <  58.613  and attr rmsd > 58.013  )) 
     ( attr rmsd < 0.995  and attr rmsd > 0.935  ) 
  6 6 0  peak  9432  volume  12.35180 ppm1  4.892  ppm2  0.965
assi (( attr rmsd < 0.891  and attr rmsd >  0.831  ) 
  and bondedto( attr rmsd <  24.53  and attr rmsd > 23.93  )) 
     ( attr rmsd < 7.238  and attr rmsd > 7.178  ) 
  6 6 0  peak  9572  volume  22.51290 ppm1  0.861  ppm2  7.208
assi (( attr rmsd < 3.827  and attr rmsd >  3.767  ) 
  and bondedto( attr rmsd <  60.339  and attr rmsd > 59.739  )) 
     ( attr rmsd < 1.561  and attr rmsd > 1.501  ) 
  6 6 0  peak  9592  volume  32.08790 ppm1  3.797  ppm2  1.531
assi (( attr rmsd < 3.553  and attr rmsd >  3.493  ) 
  and bondedto( attr rmsd <  43.972  and attr rmsd > 43.372  )) 
     ( attr rmsd < 4.002  and attr rmsd > 3.942  ) 
  6 6 0  peak  9792  volume  17.96550 ppm1  3.523  ppm2  3.972
assi (( attr rmsd < 4.286  and attr rmsd >  4.226  ) 
  and bondedto( attr rmsd <  62.489  and attr rmsd > 61.889  )) 
     ( attr rmsd < 7.339  and attr rmsd > 7.279  ) 
  6 6 0  peak  9882  volume  11.04120 ppm1  4.256  ppm2  7.309
assi (( attr rmsd < 2.152  and attr rmsd >  2.092  ) 
  and bondedto( attr rmsd <  20.1  and attr rmsd > 19.5  )) 
     ( attr rmsd < 1.529  and attr rmsd > 1.469  ) 
  6 6 0  peak  9912  volume  15.68540 ppm1  2.122  ppm2  1.499
assi (( attr rmsd < 4.717  and attr rmsd >  4.657  ) 
  and bondedto( attr rmsd <  54.422  and attr rmsd > 53.822  )) 
     ( attr rmsd < 2.316  and attr rmsd > 2.256  ) 
  6 6 0  peak  10022  volume  31.83870 ppm1  4.687  ppm2  2.286
assi (( attr rmsd < 5.394  and attr rmsd >  5.334  ) 
  and bondedto( attr rmsd <  55.655  and attr rmsd > 55.055  )) 
     ( attr rmsd < 0.949  and attr rmsd > 0.889  ) 
  6 6 0  peak  10052  volume  3.90890 ppm1  5.364  ppm2  0.919
assi (( attr rmsd < 1.678  and attr rmsd >  1.618  ) 
  and bondedto( attr rmsd <  19.116  and attr rmsd > 18.516  )) 
     ( attr rmsd < 7.088  and attr rmsd > 7.028  ) 
  6 6 0  peak  10132  volume  60.04160 ppm1  1.648  ppm2  7.058
assi (( attr rmsd < 0.917  and attr rmsd >  0.857  ) 
  and bondedto( attr rmsd <  18.75  and attr rmsd > 18.15  )) 
     ( attr rmsd < 1.448  and attr rmsd > 1.388  ) 
  6 6 0  peak  10192  volume  8.46730 ppm1  0.887  ppm2  1.418
assi (( attr rmsd < 0.89  and attr rmsd >  0.83  ) 
  and bondedto( attr rmsd <  23.115  and attr rmsd > 22.515  )) 
     ( attr rmsd < 6.892  and attr rmsd > 6.832  ) 
  6 6 0  peak  10272  volume  19.37030 ppm1  0.860  ppm2  6.862
assi (( attr rmsd < 0.49  and attr rmsd >  0.43  ) 
  and bondedto( attr rmsd <  22.622  and attr rmsd > 22.022  )) 
     ( attr rmsd < 0.83  and attr rmsd > 0.77  ) 
  6 6 0  peak  10302  volume  401.76859 ppm1  0.460  ppm2  0.800
assi (( attr rmsd < 4.925  and attr rmsd >  4.865  ) 
  and bondedto( attr rmsd <  54.915  and attr rmsd > 54.315  )) 
     ( attr rmsd < 7.071  and attr rmsd > 7.011  ) 
  6 6 0  peak  10352  volume  13.78370 ppm1  4.895  ppm2  7.041
assi (( attr rmsd < 0.48  and attr rmsd >  0.42  ) 
  and bondedto( attr rmsd <  13.008  and attr rmsd > 12.408  )) 
     ( attr rmsd < 6.681  and attr rmsd > 6.621  ) 
  6 6 0  peak  10532  volume  7.34730 ppm1  0.450  ppm2  6.651
assi (( attr rmsd < 0.475  and attr rmsd >  0.415  ) 
  and bondedto( attr rmsd <  13.008  and attr rmsd > 12.408  )) 
     ( attr rmsd < 7.096  and attr rmsd > 7.036  ) 
  6 6 0  peak  10542  volume  14.76810 ppm1  0.445  ppm2  7.066
assi (( attr rmsd < 0.398  and attr rmsd >  0.338  ) 
  and bondedto( attr rmsd <  25.334  and attr rmsd > 24.734  )) 
     ( attr rmsd < 2.709  and attr rmsd > 2.649  ) 
  6 6 0  peak  10552  volume  11.81860 ppm1  0.368  ppm2  2.679
assi (( attr rmsd < 3.582  and attr rmsd >  3.522  ) 
  and bondedto( attr rmsd <  55.8  and attr rmsd > 55.2  )) 
     ( attr rmsd < 2.511  and attr rmsd > 2.451  ) 
  6 6 0  peak  10712  volume  7.94680 ppm1  3.552  ppm2  2.481
assi (( attr rmsd < 5.77  and attr rmsd >  5.71  ) 
  and bondedto( attr rmsd <  50.231  and attr rmsd > 49.631  )) 
     ( attr rmsd < 2.113  and attr rmsd > 2.053  ) 
  6 6 0  peak  10752  volume  1.63500 ppm1  5.740  ppm2  2.083
assi (( attr rmsd < 1.556  and attr rmsd >  1.496  ) 
  and bondedto( attr rmsd <  20.896  and attr rmsd > 20.296  )) 
     ( attr rmsd < 4.514  and attr rmsd > 4.454  ) 
  6 6 0  peak  10812  volume  28.60630 ppm1  1.526  ppm2  4.484
assi (( attr rmsd < 4.956  and attr rmsd >  4.896  ) 
  and bondedto( attr rmsd <  58.12  and attr rmsd > 57.52  )) 
     ( attr rmsd < 4.105  and attr rmsd > 4.045  ) 
  6 6 0  peak  10852  volume  210.07570 ppm1  4.926  ppm2  4.075
assi (( attr rmsd < 5.507  and attr rmsd >  5.447  ) 
  and bondedto( attr rmsd <  57.8  and attr rmsd > 57.2  )) 
     ( attr rmsd < 3.502  and attr rmsd > 3.442  ) 
  6 6 0  peak  10872  volume  13.22810 ppm1  5.477  ppm2  3.472
assi (( attr rmsd < 3.34  and attr rmsd >  3.28  ) 
  and bondedto( attr rmsd <  68.227  and attr rmsd > 67.627  )) 
     ( attr rmsd < 1.495  and attr rmsd > 1.435  ) 
  6 6 0  peak  10882  volume  2.34400 ppm1  3.310  ppm2  1.465
assi (( attr rmsd < 5.654  and attr rmsd >  5.594  ) 
  and bondedto( attr rmsd <  58.12  and attr rmsd > 57.52  )) 
     ( attr rmsd < 3.521  and attr rmsd > 3.461  ) 
  6 6 0  peak  10892  volume  6.36650 ppm1  5.624  ppm2  3.491
assi (( attr rmsd < 3.305  and attr rmsd >  3.245  ) 
  and bondedto( attr rmsd <  31.496  and attr rmsd > 30.896  )) 
     ( attr rmsd < 3.903  and attr rmsd > 3.843  ) 
  6 6 0  peak  10992  volume  2.32010 ppm1  3.275  ppm2  3.873
assi (( attr rmsd < 5.121  and attr rmsd >  5.061  ) 
  and bondedto( attr rmsd <  51.957  and attr rmsd > 51.357  )) 
     ( attr rmsd < 1.997  and attr rmsd > 1.937  ) 
  6 6 0  peak  11082  volume  4.50640 ppm1  5.091  ppm2  1.967
assi (( attr rmsd < 2.891  and attr rmsd >  2.831  ) 
  and bondedto( attr rmsd <  38.3  and attr rmsd > 37.7  )) 
     ( attr rmsd < 1.891  and attr rmsd > 1.831  ) 
  6 6 0  peak  11212  volume  3.95950 ppm1  2.861  ppm2  1.861
assi (( attr rmsd < 2.886  and attr rmsd >  2.826  ) 
  and bondedto( attr rmsd <  38.399  and attr rmsd > 37.799  )) 
     ( attr rmsd < 1.519  and attr rmsd > 1.459  ) 
  6 6 0  peak  11222  volume  11.40820 ppm1  2.856  ppm2  1.489
assi (( attr rmsd < 2.548  and attr rmsd >  2.488  ) 
  and bondedto( attr rmsd <  37.84  and attr rmsd > 37.24  )) 
     ( attr rmsd < 0.93  and attr rmsd > 0.87  ) 
  6 6 0  peak  11322  volume  4.87220 ppm1  2.518  ppm2  0.900
assi (( attr rmsd < 3.812  and attr rmsd >  3.752  ) 
  and bondedto( attr rmsd <  60.339  and attr rmsd > 59.739  )) 
     ( attr rmsd < 1.742  and attr rmsd > 1.682  ) 
  6 6 0  peak  11352  volume  18.89070 ppm1  3.782  ppm2  1.712
assi (( attr rmsd < 5.162  and attr rmsd >  5.102  ) 
  and bondedto( attr rmsd <  69.36  and attr rmsd > 68.76  )) 
     ( attr rmsd < 1.524  and attr rmsd > 1.464  ) 
  6 6 0  peak  11492  volume  3.60180 ppm1  5.132  ppm2  1.494
assi (( attr rmsd < 2.538  and attr rmsd >  2.478  ) 
  and bondedto( attr rmsd <  32.482  and attr rmsd > 31.882  )) 
     ( attr rmsd < 4.644  and attr rmsd > 4.584  ) 
  6 6 0  peak  11642  volume  126.00400 ppm1  2.508  ppm2  4.614
assi (( attr rmsd < 0.891  and attr rmsd >  0.831  ) 
  and bondedto( attr rmsd <  23.115  and attr rmsd > 22.515  )) 
     ( attr rmsd < 0.705  and attr rmsd > 0.645  ) 
  6 6 0  peak  11822  volume  151.24940 ppm1  0.861  ppm2  0.675
assi (( attr rmsd < 0.999  and attr rmsd >  0.939  ) 
  and bondedto( attr rmsd <  22.375  and attr rmsd > 21.775  )) 
     ( attr rmsd < 7.075  and attr rmsd > 7.015  ) 
  6 6 0  peak  11862  volume  65.11950 ppm1  0.969  ppm2  7.045
assi (( attr rmsd < 0.496  and attr rmsd >  0.436  ) 
  and bondedto( attr rmsd <  22.622  and attr rmsd > 22.022  )) 
     ( attr rmsd < 0.709  and attr rmsd > 0.649  ) 
  6 6 0  peak  11902  volume  348.09109 ppm1  0.466  ppm2  0.679
assi (( attr rmsd < 0.49  and attr rmsd >  0.43  ) 
  and bondedto( attr rmsd <  22.622  and attr rmsd > 22.022  )) 
     ( attr rmsd < 2.307  and attr rmsd > 2.247  ) 
  6 6 0  peak  11922  volume  10.92590 ppm1  0.460  ppm2  2.277
assi (( attr rmsd < -0.184  and attr rmsd >  -0.244  ) 
  and bondedto( attr rmsd <  20.8  and attr rmsd > 20.2  )) 
     ( attr rmsd < 4.164  and attr rmsd > 4.104  ) 
  6 6 0  peak  11962  volume  11.51260 ppm1  -0.214  ppm2  4.134
assi (( attr rmsd < 2.068  and attr rmsd >  2.008  ) 
  and bondedto( attr rmsd <  34.208  and attr rmsd > 33.608  )) 
     ( attr rmsd < 3.222  and attr rmsd > 3.162  ) 
  6 6 0  peak  12032  volume  18.46810 ppm1  2.038  ppm2  3.192
assi (( attr rmsd < 1.97  and attr rmsd >  1.91  ) 
  and bondedto( attr rmsd <  41.357  and attr rmsd > 40.757  )) 
     ( attr rmsd < 1.473  and attr rmsd > 1.413  ) 
  6 6 0  peak  12102  volume  4.83180 ppm1  1.940  ppm2  1.443
assi (( attr rmsd < 0.964  and attr rmsd >  0.904  ) 
  and bondedto( attr rmsd <  25.52  and attr rmsd > 24.92  )) 
     ( attr rmsd < 3.911  and attr rmsd > 3.851  ) 
  6 6 0  peak  12112  volume  9.45500 ppm1  0.934  ppm2  3.881
assi (( attr rmsd < 0.944  and attr rmsd >  0.884  ) 
  and bondedto( attr rmsd <  25.334  and attr rmsd > 24.734  )) 
     ( attr rmsd < 1.479  and attr rmsd > 1.419  ) 
  6 6 0  peak  12122  volume  118.91240 ppm1  0.914  ppm2  1.449
assi (( attr rmsd < 1.782  and attr rmsd >  1.722  ) 
  and bondedto( attr rmsd <  26.26  and attr rmsd > 25.66  )) 
     ( attr rmsd < 0.115  and attr rmsd > 0.055  ) 
  6 6 0  peak  12292  volume  15.36330 ppm1  1.752  ppm2  0.085
assi (( attr rmsd < 4.14  and attr rmsd >  4.08  ) 
  and bondedto( attr rmsd <  56.08  and attr rmsd > 55.48  )) 
     ( attr rmsd < 1.379  and attr rmsd > 1.319  ) 
  6 6 0  peak  12322  volume  7.01430 ppm1  4.110  ppm2  1.349
assi (( attr rmsd < 4.489  and attr rmsd >  4.429  ) 
  and bondedto( attr rmsd <  52.45  and attr rmsd > 51.85  )) 
     ( attr rmsd < 0.917  and attr rmsd > 0.857  ) 
  6 6 0  peak  12432  volume  3.50980 ppm1  4.459  ppm2  0.887
assi (( attr rmsd < 5.401  and attr rmsd >  5.341  ) 
  and bondedto( attr rmsd <  53.929  and attr rmsd > 53.329  )) 
     ( attr rmsd < 2.174  and attr rmsd > 2.114  ) 
  6 6 0  peak  12492  volume  12.73180 ppm1  5.371  ppm2  2.144
assi (( attr rmsd < 1.529  and attr rmsd >  1.469  ) 
  and bondedto( attr rmsd <  44.315  and attr rmsd > 43.715  )) 
     ( attr rmsd < 3.706  and attr rmsd > 3.646  ) 
  6 6 0  peak  12502  volume  18.41750 ppm1  1.499  ppm2  3.676
assi (( attr rmsd < 1.64  and attr rmsd >  1.58  ) 
  and bondedto( attr rmsd <  44.315  and attr rmsd > 43.715  )) 
     ( attr rmsd < 3.698  and attr rmsd > 3.638  ) 
  6 6 0  peak  12512  volume  9.45760 ppm1  1.610  ppm2  3.668
assi (( attr rmsd < 1.638  and attr rmsd >  1.578  ) 
  and bondedto( attr rmsd <  44.315  and attr rmsd > 43.715  )) 
     ( attr rmsd < 0.869  and attr rmsd > 0.809  ) 
  6 6 0  peak  12522  volume  4.30060 ppm1  1.608  ppm2  0.839
assi (( attr rmsd < 1.529  and attr rmsd >  1.469  ) 
  and bondedto( attr rmsd <  44.315  and attr rmsd > 43.715  )) 
     ( attr rmsd < 0.87  and attr rmsd > 0.81  ) 
  6 6 0  peak  12532  volume  36.39260 ppm1  1.499  ppm2  0.840
assi (( attr rmsd < 1.42  and attr rmsd >  1.36  ) 
  and bondedto( attr rmsd <  29.031  and attr rmsd > 28.431  )) 
     ( attr rmsd < 6.944  and attr rmsd > 6.884  ) 
  6 6 0  peak  12712  volume  38.92960 ppm1  1.390  ppm2  6.914
assi (( attr rmsd < 1.446  and attr rmsd >  1.386  ) 
  and bondedto( attr rmsd <  29.031  and attr rmsd > 28.431  )) 
     ( attr rmsd < 4.922  and attr rmsd > 4.862  ) 
  6 6 0  peak  12722  volume  16.05100 ppm1  1.416  ppm2  4.892
assi (( attr rmsd < 1.439  and attr rmsd >  1.379  ) 
  and bondedto( attr rmsd <  29.031  and attr rmsd > 28.431  )) 
     ( attr rmsd < 4.034  and attr rmsd > 3.974  ) 
  6 6 0  peak  12732  volume  32.80830 ppm1  1.409  ppm2  4.004
assi (( attr rmsd < 1.416  and attr rmsd >  1.356  ) 
  and bondedto( attr rmsd <  29.031  and attr rmsd > 28.431  )) 
     ( attr rmsd < 1  and attr rmsd > 0.94  ) 
  6 6 0  peak  12742  volume  108.62620 ppm1  1.386  ppm2  0.970
assi (( attr rmsd < 0.864  and attr rmsd >  0.804  ) 
  and bondedto( attr rmsd <  24.841  and attr rmsd > 24.241  )) 
     ( attr rmsd < 2.068  and attr rmsd > 2.008  ) 
  6 6 0  peak  12832  volume  22.19350 ppm1  0.834  ppm2  2.038
assi (( attr rmsd < 1.727  and attr rmsd >  1.667  ) 
  and bondedto( attr rmsd <  28.538  and attr rmsd > 27.938  )) 
     ( attr rmsd < 5.692  and attr rmsd > 5.632  ) 
  6 6 0  peak  12882  volume  21.53990 ppm1  1.697  ppm2  5.662
assi (( attr rmsd < 1.727  and attr rmsd >  1.667  ) 
  and bondedto( attr rmsd <  28.538  and attr rmsd > 27.938  )) 
     ( attr rmsd < 3.297  and attr rmsd > 3.237  ) 
  6 6 0  peak  12892  volume  36.96960 ppm1  1.697  ppm2  3.267
assi (( attr rmsd < 1.725  and attr rmsd >  1.665  ) 
  and bondedto( attr rmsd <  28.538  and attr rmsd > 27.938  )) 
     ( attr rmsd < 3.468  and attr rmsd > 3.408  ) 
  6 6 0  peak  12902  volume  82.64790 ppm1  1.695  ppm2  3.438
assi (( attr rmsd < 1.783  and attr rmsd >  1.723  ) 
  and bondedto( attr rmsd <  28.538  and attr rmsd > 27.938  )) 
     ( attr rmsd < 2.312  and attr rmsd > 2.252  ) 
  6 6 0  peak  12922  volume  50.16900 ppm1  1.753  ppm2  2.282
assi (( attr rmsd < 1.723  and attr rmsd >  1.663  ) 
  and bondedto( attr rmsd <  28.538  and attr rmsd > 27.938  )) 
     ( attr rmsd < 1.933  and attr rmsd > 1.873  ) 
  6 6 0  peak  12932  volume  341.08630 ppm1  1.693  ppm2  1.903
assi (( attr rmsd < 1.725  and attr rmsd >  1.665  ) 
  and bondedto( attr rmsd <  28.538  and attr rmsd > 27.938  )) 
     ( attr rmsd < 1.507  and attr rmsd > 1.447  ) 
  6 6 0  peak  12942  volume  75.36250 ppm1  1.695  ppm2  1.477
assi (( attr rmsd < 1.002  and attr rmsd >  0.942  ) 
  and bondedto( attr rmsd <  25.24  and attr rmsd > 24.64  )) 
     ( attr rmsd < 6.946  and attr rmsd > 6.886  ) 
  6 6 0  peak  12972  volume  10.34320 ppm1  0.972  ppm2  6.916
assi (( attr rmsd < 4.956  and attr rmsd >  4.896  ) 
  and bondedto( attr rmsd <  59.1  and attr rmsd > 58.5  )) 
     ( attr rmsd < 3.226  and attr rmsd > 3.166  ) 
  6 6 0  peak  13002  volume  15.05330 ppm1  4.926  ppm2  3.196
assi (( attr rmsd < 0.941  and attr rmsd >  0.881  ) 
  and bondedto( attr rmsd <  15.14  and attr rmsd > 14.54  )) 
     ( attr rmsd < 1.406  and attr rmsd > 1.346  ) 
  6 6 0  peak  13102  volume  7.26830 ppm1  0.911  ppm2  1.376
assi (( attr rmsd < 0.632  and attr rmsd >  0.572  ) 
  and bondedto( attr rmsd <  28.785  and attr rmsd > 28.185  )) 
     ( attr rmsd < 1.412  and attr rmsd > 1.352  ) 
  6 6 0  peak  13402  volume  22.82210 ppm1  0.602  ppm2  1.382
assi (( attr rmsd < 0.426  and attr rmsd >  0.366  ) 
  and bondedto( attr rmsd <  14.687  and attr rmsd > 14.087  )) 
     ( attr rmsd < 2.031  and attr rmsd > 1.971  ) 
  6 6 0  peak  13622  volume  19.64680 ppm1  0.396  ppm2  2.001
assi (( attr rmsd < 2.288  and attr rmsd >  2.228  ) 
  and bondedto( attr rmsd <  39.138  and attr rmsd > 38.538  )) 
     ( attr rmsd < 3.086  and attr rmsd > 3.026  ) 
  6 6 0  peak  13642  volume  5.26340 ppm1  2.258  ppm2  3.056
assi (( attr rmsd < 4.43  and attr rmsd >  4.37  ) 
  and bondedto( attr rmsd <  61.571  and attr rmsd > 60.971  )) 
     ( attr rmsd < 5.378  and attr rmsd > 5.318  ) 
  6 6 0  peak  13702  volume  2.62420 ppm1  4.400  ppm2  5.348
assi (( attr rmsd < 1.124  and attr rmsd >  1.064  ) 
  and bondedto( attr rmsd <  18.431  and attr rmsd > 17.831  )) 
     ( attr rmsd < 0.475  and attr rmsd > 0.415  ) 
  6 6 0  peak  13932  volume  14.20590 ppm1  1.094  ppm2  0.445
assi (( attr rmsd < 0.752  and attr rmsd >  0.692  ) 
  and bondedto( attr rmsd <  18.678  and attr rmsd > 18.078  )) 
     ( attr rmsd < 1.114  and attr rmsd > 1.054  ) 
  6 6 0  peak  14062  volume  76.61740 ppm1  0.722  ppm2  1.084
assi (( attr rmsd < 0.709  and attr rmsd >  0.649  ) 
  and bondedto( attr rmsd <  15.42  and attr rmsd > 14.82  )) 
     ( attr rmsd < 2.314  and attr rmsd > 2.254  ) 
  6 6 0  peak  14132  volume  5.52370 ppm1  0.679  ppm2  2.284
assi (( attr rmsd < 0.708  and attr rmsd >  0.648  ) 
  and bondedto( attr rmsd <  15.47  and attr rmsd > 14.87  )) 
     ( attr rmsd < 2.147  and attr rmsd > 2.087  ) 
  6 6 0  peak  14142  volume  98.76070 ppm1  0.678  ppm2  2.117
assi (( attr rmsd < 0.709  and attr rmsd >  0.649  ) 
  and bondedto( attr rmsd <  15.47  and attr rmsd > 14.87  )) 
     ( attr rmsd < 0.487  and attr rmsd > 0.427  ) 
  6 6 0  peak  14162  volume  238.96460 ppm1  0.679  ppm2  0.457
assi (( attr rmsd < 1.143  and attr rmsd >  1.083  ) 
  and bondedto( attr rmsd <  26.32  and attr rmsd > 25.72  )) 
     ( attr rmsd < 3.086  and attr rmsd > 3.026  ) 
  6 6 0  peak  14382  volume  16.57880 ppm1  1.113  ppm2  3.056
assi (( attr rmsd < 1.163  and attr rmsd >  1.103  ) 
  and bondedto( attr rmsd <  26.32  and attr rmsd > 25.72  )) 
     ( attr rmsd < 1.502  and attr rmsd > 1.442  ) 
  6 6 0  peak  14402  volume  27.25280 ppm1  1.133  ppm2  1.472
assi (( attr rmsd < 4.925  and attr rmsd >  4.865  ) 
  and bondedto( attr rmsd <  54.915  and attr rmsd > 54.315  )) 
     ( attr rmsd < 7.322  and attr rmsd > 7.262  ) 
  6 6 0  peak  14462  volume  4.07080 ppm1  4.895  ppm2  7.292
assi (( attr rmsd < 2.093  and attr rmsd >  2.033  ) 
  and bondedto( attr rmsd <  32.729  and attr rmsd > 32.129  )) 
     ( attr rmsd < 2.794  and attr rmsd > 2.734  ) 
  6 6 0  peak  14752  volume  7.13370 ppm1  2.063  ppm2  2.764
assi (( attr rmsd < 2.113  and attr rmsd >  2.053  ) 
  and bondedto( attr rmsd <  32.729  and attr rmsd > 32.129  )) 
     ( attr rmsd < 0.594  and attr rmsd > 0.534  ) 
  6 6 0  peak  14812  volume  29.16670 ppm1  2.083  ppm2  0.564
assi (( attr rmsd < 2.073  and attr rmsd >  2.013  ) 
  and bondedto( attr rmsd <  32.729  and attr rmsd > 32.129  )) 
     ( attr rmsd < 0.405  and attr rmsd > 0.345  ) 
  6 6 0  peak  14822  volume  17.18740 ppm1  2.043  ppm2  0.375
assi (( attr rmsd < 1.661  and attr rmsd >  1.601  ) 
  and bondedto( attr rmsd <  25.49  and attr rmsd > 24.89  )) 
     ( attr rmsd < 6.674  and attr rmsd > 6.614  ) 
  6 6 0  peak  14832  volume  7.53780 ppm1  1.631  ppm2  6.644
assi (( attr rmsd < 1.74  and attr rmsd >  1.68  ) 
  and bondedto( attr rmsd <  35.194  and attr rmsd > 34.594  )) 
     ( attr rmsd < 7.318  and attr rmsd > 7.258  ) 
  6 6 0  peak  15142  volume  17.15570 ppm1  1.710  ppm2  7.288
assi (( attr rmsd < 1.747  and attr rmsd >  1.687  ) 
  and bondedto( attr rmsd <  35.194  and attr rmsd > 34.594  )) 
     ( attr rmsd < 5.429  and attr rmsd > 5.369  ) 
  6 6 0  peak  15162  volume  14.44640 ppm1  1.717  ppm2  5.399
assi (( attr rmsd < 1.754  and attr rmsd >  1.694  ) 
  and bondedto( attr rmsd <  30.017  and attr rmsd > 29.417  )) 
     ( attr rmsd < 2.913  and attr rmsd > 2.853  ) 
  6 6 0  peak  15242  volume  31.95480 ppm1  1.724  ppm2  2.883
assi (( attr rmsd < 3.212  and attr rmsd >  3.152  ) 
  and bondedto( attr rmsd <  42.52  and attr rmsd > 41.92  )) 
     ( attr rmsd < 1.918  and attr rmsd > 1.858  ) 
  6 6 0  peak  15342  volume  549.04053 ppm1  3.182  ppm2  1.888
assi (( attr rmsd < 2.311  and attr rmsd >  2.251  ) 
  and bondedto( attr rmsd <  33.87  and attr rmsd > 33.27  )) 
     ( attr rmsd < 3.555  and attr rmsd > 3.495  ) 
  6 6 0  peak  15402  volume  56.04600 ppm1  2.281  ppm2  3.525
assi (( attr rmsd < 3.556  and attr rmsd >  3.496  ) 
  and bondedto( attr rmsd <  43.975  and attr rmsd > 43.375  )) 
     ( attr rmsd < 0.883  and attr rmsd > 0.823  ) 
  6 6 0  peak  15422  volume  17.29490 ppm1  3.526  ppm2  0.853
assi (( attr rmsd < 4.533  and attr rmsd >  4.473  ) 
  and bondedto( attr rmsd <  57.04  and attr rmsd > 56.44  )) 
     ( attr rmsd < 7.332  and attr rmsd > 7.272  ) 
  6 6 0  peak  15432  volume  23.40600 ppm1  4.503  ppm2  7.302
assi (( attr rmsd < 3.246  and attr rmsd >  3.186  ) 
  and bondedto( attr rmsd <  44.069  and attr rmsd > 43.469  )) 
     ( attr rmsd < 5.364  and attr rmsd > 5.304  ) 
  6 6 0  peak  15722  volume  10.99040 ppm1  3.216  ppm2  5.334
assi (( attr rmsd < 3.114  and attr rmsd >  3.054  ) 
  and bondedto( attr rmsd <  44.069  and attr rmsd > 43.469  )) 
     ( attr rmsd < 2.132  and attr rmsd > 2.072  ) 
  6 6 0  peak  15742  volume  55.96180 ppm1  3.084  ppm2  2.102
assi (( attr rmsd < 5.126  and attr rmsd >  5.066  ) 
  and bondedto( attr rmsd <  55.162  and attr rmsd > 54.562  )) 
     ( attr rmsd < 7.121  and attr rmsd > 7.061  ) 
  6 6 0  peak  15812  volume  7.38260 ppm1  5.096  ppm2  7.091
assi (( attr rmsd < 1.405  and attr rmsd >  1.345  ) 
  and bondedto( attr rmsd <  35.13  and attr rmsd > 34.53  )) 
     ( attr rmsd < 1.735  and attr rmsd > 1.675  ) 
  6 6 0  peak  15892  volume  12.87440 ppm1  1.375  ppm2  1.705
assi (( attr rmsd < 5.626  and attr rmsd >  5.566  ) 
  and bondedto( attr rmsd <  55.901  and attr rmsd > 55.301  )) 
     ( attr rmsd < 1.514  and attr rmsd > 1.454  ) 
  6 6 0  peak  16092  volume  21.71140 ppm1  5.596  ppm2  1.484
assi (( attr rmsd < 3.177  and attr rmsd >  3.117  ) 
  and bondedto( attr rmsd <  30.7  and attr rmsd > 30.1  )) 
     ( attr rmsd < 0.119  and attr rmsd > 0.059  ) 
  6 6 0  peak  16182  volume  4.95420 ppm1  3.147  ppm2  0.089
assi (( attr rmsd < 5.623  and attr rmsd >  5.563  ) 
  and bondedto( attr rmsd <  55.901  and attr rmsd > 55.301  )) 
     ( attr rmsd < 7.314  and attr rmsd > 7.254  ) 
  6 6 0  peak  16482  volume  7.14840 ppm1  5.593  ppm2  7.284
assi (( attr rmsd < 4.519  and attr rmsd >  4.459  ) 
  and bondedto( attr rmsd <  57.31  and attr rmsd > 56.71  )) 
     ( attr rmsd < 4.7  and attr rmsd > 4.64  ) 
  6 6 0  peak  16642  volume  37.47540 ppm1  4.489  ppm2  4.670
assi (( attr rmsd < 3.691  and attr rmsd >  3.631  ) 
  and bondedto( attr rmsd <  56.82  and attr rmsd > 56.22  )) 
     ( attr rmsd < 1.355  and attr rmsd > 1.295  ) 
  6 6 0  peak  16672  volume  21.59530 ppm1  3.661  ppm2  1.325
assi (( attr rmsd < 2.085  and attr rmsd >  2.025  ) 
  and bondedto( attr rmsd <  27.25  and attr rmsd > 26.65  )) 
     ( attr rmsd < 1.044  and attr rmsd > 0.984  ) 
  6 6 0  peak  17322  volume  10.27160 ppm1  2.055  ppm2  1.014
assi (( attr rmsd < 1.676  and attr rmsd >  1.616  ) 
  and bondedto( attr rmsd <  32.482  and attr rmsd > 31.882  )) 
     ( attr rmsd < 1  and attr rmsd > 0.94  ) 
  6 6 0  peak  17412  volume  19.19480 ppm1  1.646  ppm2  0.970
assi (( attr rmsd < 4.67  and attr rmsd >  4.61  ) 
  and bondedto( attr rmsd <  51.957  and attr rmsd > 51.357  )) 
     ( attr rmsd < 3.186  and attr rmsd > 3.126  ) 
  6 6 0  peak  17442  volume  16.98130 ppm1  4.640  ppm2  3.156
assi (( attr rmsd < 4.676  and attr rmsd >  4.616  ) 
  and bondedto( attr rmsd <  51.957  and attr rmsd > 51.357  )) 
     ( attr rmsd < 3.086  and attr rmsd > 3.026  ) 
  6 6 0  peak  17452  volume  15.48090 ppm1  4.646  ppm2  3.056
assi (( attr rmsd < 4.674  and attr rmsd >  4.614  ) 
  and bondedto( attr rmsd <  51.957  and attr rmsd > 51.357  )) 
     ( attr rmsd < 1.894  and attr rmsd > 1.834  ) 
  6 6 0  peak  17462  volume  6.40890 ppm1  4.644  ppm2  1.864
assi (( attr rmsd < 4.672  and attr rmsd >  4.612  ) 
  and bondedto( attr rmsd <  51.957  and attr rmsd > 51.357  )) 
     ( attr rmsd < 1.781  and attr rmsd > 1.721  ) 
  6 6 0  peak  17472  volume  7.41050 ppm1  4.642  ppm2  1.751
assi (( attr rmsd < 4.019  and attr rmsd >  3.959  ) 
  and bondedto( attr rmsd <  58.12  and attr rmsd > 57.52  )) 
     ( attr rmsd < 0.999  and attr rmsd > 0.939  ) 
  6 6 0  peak  17542  volume  13.22460 ppm1  3.989  ppm2  0.969
assi (( attr rmsd < 1.432  and attr rmsd >  1.372  ) 
  and bondedto( attr rmsd <  25.277  and attr rmsd > 24.677  )) 
     ( attr rmsd < 2.932  and attr rmsd > 2.872  ) 
  6 6 0  peak  17572  volume  30.12750 ppm1  1.402  ppm2  2.902
assi (( attr rmsd < 1.432  and attr rmsd >  1.372  ) 
  and bondedto( attr rmsd <  25.334  and attr rmsd > 24.734  )) 
     ( attr rmsd < 6.944  and attr rmsd > 6.884  ) 
  6 6 0  peak  17632  volume  15.57190 ppm1  1.402  ppm2  6.914
assi (( attr rmsd < 4.438  and attr rmsd >  4.378  ) 
  and bondedto( attr rmsd <  56.641  and attr rmsd > 56.041  )) 
     ( attr rmsd < 1.863  and attr rmsd > 1.803  ) 
  6 6 0  peak  17752  volume  51.45920 ppm1  4.408  ppm2  1.833
assi (( attr rmsd < 1.946  and attr rmsd >  1.886  ) 
  and bondedto( attr rmsd <  31.003  and attr rmsd > 30.403  )) 
     ( attr rmsd < 3.197  and attr rmsd > 3.137  ) 
  6 6 0  peak  17782  volume  5.17760 ppm1  1.916  ppm2  3.167
assi (( attr rmsd < 5.401  and attr rmsd >  5.341  ) 
  and bondedto( attr rmsd <  55.162  and attr rmsd > 54.562  )) 
     ( attr rmsd < 2.152  and attr rmsd > 2.092  ) 
  6 6 0  peak  18662  volume  14.15060 ppm1  5.371  ppm2  2.122
assi (( attr rmsd < 1.46  and attr rmsd >  1.4  ) 
  and bondedto( attr rmsd <  37.166  and attr rmsd > 36.566  )) 
     ( attr rmsd < 1.986  and attr rmsd > 1.926  ) 
  6 6 0  peak  18842  volume  9.09500 ppm1  1.430  ppm2  1.956
assi (( attr rmsd < 1.739  and attr rmsd >  1.679  ) 
  and bondedto( attr rmsd <  39.077  and attr rmsd > 38.477  )) 
     ( attr rmsd < 1.116  and attr rmsd > 1.056  ) 
  6 6 0  peak  18872  volume  5.91300 ppm1  1.709  ppm2  1.086
assi (( attr rmsd < 1.516  and attr rmsd >  1.456  ) 
  and bondedto( attr rmsd <  24.101  and attr rmsd > 23.501  )) 
     ( attr rmsd < 1.889  and attr rmsd > 1.829  ) 
  6 6 0  peak  18992  volume  51.49790 ppm1  1.486  ppm2  1.859
assi (( attr rmsd < 1.516  and attr rmsd >  1.456  ) 
  and bondedto( attr rmsd <  24.101  and attr rmsd > 23.501  )) 
     ( attr rmsd < 0.719  and attr rmsd > 0.659  ) 
  6 6 0  peak  19032  volume  1.67440 ppm1  1.486  ppm2  0.689
assi (( attr rmsd < 4.637  and attr rmsd >  4.577  ) 
  and bondedto( attr rmsd <  62.954  and attr rmsd > 62.354  )) 
     ( attr rmsd < 3.876  and attr rmsd > 3.816  ) 
  6 6 0  peak  19532  volume  2.55930 ppm1  4.607  ppm2  3.846
assi (( attr rmsd < 4.447  and attr rmsd >  4.387  ) 
  and bondedto( attr rmsd <  61.721  and attr rmsd > 61.121  )) 
     ( attr rmsd < 1.733  and attr rmsd > 1.673  ) 
  6 6 0  peak  19542  volume  6.36230 ppm1  4.417  ppm2  1.703
assi (( attr rmsd < 0.947  and attr rmsd >  0.887  ) 
  and bondedto( attr rmsd <  15.138  and attr rmsd > 14.538  )) 
     ( attr rmsd < 7.536  and attr rmsd > 7.476  ) 
  6 6 0  peak  19552  volume  11.28430 ppm1  0.917  ppm2  7.506
assi (( attr rmsd < 3.929  and attr rmsd >  3.869  ) 
  and bondedto( attr rmsd <  55.806  and attr rmsd > 55.206  )) 
     ( attr rmsd < 0.996  and attr rmsd > 0.936  ) 
  6 6 0  peak  19572  volume  3.31520 ppm1  3.899  ppm2  0.966
assi (( attr rmsd < 2.312  and attr rmsd >  2.252  ) 
  and bondedto( attr rmsd <  41.511  and attr rmsd > 40.911  )) 
     ( attr rmsd < 3.053  and attr rmsd > 2.993  ) 
  6 6 0  peak  19592  volume  7.51280 ppm1  2.282  ppm2  3.023
assi (( attr rmsd < 1.829  and attr rmsd >  1.769  ) 
  and bondedto( attr rmsd <  29.433  and attr rmsd > 28.833  )) 
     ( attr rmsd < 6.675  and attr rmsd > 6.615  ) 
  6 6 0  peak  19612  volume  1.32130 ppm1  1.799  ppm2  6.645
assi (( attr rmsd < 2.11  and attr rmsd >  2.05  ) 
  and bondedto( attr rmsd <  32.638  and attr rmsd > 32.038  )) 
     ( attr rmsd < 7.263  and attr rmsd > 7.203  ) 
  6 6 0  peak  19622  volume  6.19850 ppm1  2.080  ppm2  7.233
assi (( attr rmsd < 2.449  and attr rmsd >  2.389  ) 
  and bondedto( attr rmsd <  34.116  and attr rmsd > 33.516  )) 
     ( attr rmsd < 1.291  and attr rmsd > 1.231  ) 
  6 6 0  peak  19632  volume  14.44410 ppm1  2.419  ppm2  1.261
assi (( attr rmsd < 2.453  and attr rmsd >  2.393  ) 
  and bondedto( attr rmsd <  34.116  and attr rmsd > 33.516  )) 
     ( attr rmsd < 1.475  and attr rmsd > 1.415  ) 
  6 6 0  peak  19642  volume  101.85990 ppm1  2.423  ppm2  1.445
assi (( attr rmsd < 1.312  and attr rmsd >  1.252  ) 
  and bondedto( attr rmsd <  22.039  and attr rmsd > 21.439  )) 
     ( attr rmsd < 2.489  and attr rmsd > 2.429  ) 
  6 6 0  peak  19652  volume  8.51320 ppm1  1.282  ppm2  2.459
assi (( attr rmsd < 0.947  and attr rmsd >  0.887  ) 
  and bondedto( attr rmsd <  26.51  and attr rmsd > 25.91  )) 
     ( attr rmsd < 6.943  and attr rmsd > 6.883  ) 
  6 6 0  peak  19662  volume  4.31870 ppm1  0.917  ppm2  6.913
assi (( attr rmsd < 4.425  and attr rmsd >  4.365  ) 
  and bondedto( attr rmsd <  56.299  and attr rmsd > 55.699  )) 
     ( attr rmsd < 7.186  and attr rmsd > 7.126  ) 
  6 6 0  peak  19682  volume  4.43620 ppm1  4.395  ppm2  7.156
assi (( attr rmsd < 3.274  and attr rmsd >  3.214  ) 
  and bondedto( attr rmsd <  43.975  and attr rmsd > 43.375  )) 
     ( attr rmsd < 6.944  and attr rmsd > 6.884  ) 
  6 6 0  peak  19712  volume  10.55710 ppm1  3.244  ppm2  6.914
assi (( attr rmsd < 1.491  and attr rmsd >  1.431  ) 
  and bondedto( attr rmsd <  27.215  and attr rmsd > 26.615  )) 
     ( attr rmsd < 5.025  and attr rmsd > 4.965  ) 
  6 6 0  peak  19722  volume  3.17140 ppm1  1.461  ppm2  4.995
assi (( attr rmsd < 0.905  and attr rmsd >  0.845  ) 
  and bondedto( attr rmsd <  26.23  and attr rmsd > 25.63  )) 
     ( attr rmsd < 5.052  and attr rmsd > 4.992  ) 
  6 6 0  peak  19732  volume  6.49780 ppm1  0.875  ppm2  5.022
assi (( attr rmsd < 3.944  and attr rmsd >  3.884  ) 
  and bondedto( attr rmsd <  72.566  and attr rmsd > 71.966  )) 
     ( attr rmsd < 5.355  and attr rmsd > 5.295  ) 
  6 6 0  peak  19742  volume  2.84190 ppm1  3.914  ppm2  5.325
assi (( attr rmsd < 4.081  and attr rmsd >  4.021  ) 
  and bondedto( attr rmsd <  64.186  and attr rmsd > 63.586  )) 
     ( attr rmsd < 5.088  and attr rmsd > 5.028  ) 
  6 6 0  peak  19752  volume  25.59350 ppm1  4.051  ppm2  5.058
assi (( attr rmsd < 2.155  and attr rmsd >  2.095  ) 
  and bondedto( attr rmsd <  20.067  and attr rmsd > 19.467  )) 
     ( attr rmsd < 5.69  and attr rmsd > 5.63  ) 
  6 6 0  peak  19792  volume  11.98690 ppm1  2.125  ppm2  5.660
assi (( attr rmsd < 1.892  and attr rmsd >  1.832  ) 
  and bondedto( attr rmsd <  29.926  and attr rmsd > 29.326  )) 
     ( attr rmsd < 2.913  and attr rmsd > 2.853  ) 
  6 6 0  peak  19802  volume  9.34620 ppm1  1.862  ppm2  2.883
assi (( attr rmsd < 1.883  and attr rmsd >  1.823  ) 
  and bondedto( attr rmsd <  29.926  and attr rmsd > 29.326  )) 
     ( attr rmsd < 4.689  and attr rmsd > 4.629  ) 
  6 6 0  peak  19812  volume  6.23070 ppm1  1.853  ppm2  4.659
assi (( attr rmsd < 1.605  and attr rmsd >  1.545  ) 
  and bondedto( attr rmsd <  29.433  and attr rmsd > 28.833  )) 
     ( attr rmsd < 5.393  and attr rmsd > 5.333  ) 
  6 6 0  peak  19822  volume  8.89240 ppm1  1.575  ppm2  5.363
assi (( attr rmsd < 1.845  and attr rmsd >  1.785  ) 
  and bondedto( attr rmsd <  33.87  and attr rmsd > 33.27  )) 
     ( attr rmsd < 3.224  and attr rmsd > 3.164  ) 
  6 6 0  peak  19832  volume  12.59310 ppm1  1.815  ppm2  3.194
assi (( attr rmsd < 0.842  and attr rmsd >  0.782  ) 
  and bondedto( attr rmsd <  25.52  and attr rmsd > 24.92  )) 
     ( attr rmsd < 3.921  and attr rmsd > 3.861  ) 
  6 6 0  peak  19852  volume  10.16510 ppm1  0.812  ppm2  3.891
assi (( attr rmsd < 4.143  and attr rmsd >  4.083  ) 
  and bondedto( attr rmsd <  56.053  and attr rmsd > 55.453  )) 
     ( attr rmsd < 7.015  and attr rmsd > 6.955  ) 
  6 6 0  peak  19912  volume  3.81160 ppm1  4.113  ppm2  6.985
assi (( attr rmsd < 0.4  and attr rmsd >  0.34  ) 
  and bondedto( attr rmsd <  23.272  and attr rmsd > 22.672  )) 
     ( attr rmsd < 2.146  and attr rmsd > 2.086  ) 
  6 6 0  peak  19922  volume  8.47760 ppm1  0.370  ppm2  2.116
assi (( attr rmsd < 0.4  and attr rmsd >  0.34  ) 
  and bondedto( attr rmsd <  23.272  and attr rmsd > 22.672  )) 
     ( attr rmsd < 7.121  and attr rmsd > 7.061  ) 
  6 6 0  peak  19932  volume  8.72590 ppm1  0.370  ppm2  7.091
assi (( attr rmsd < 2.539  and attr rmsd >  2.479  ) 
  and bondedto( attr rmsd <  35.63  and attr rmsd > 35.03  )) 
     ( attr rmsd < 1.895  and attr rmsd > 1.835  ) 
  6 6 0  peak  19942  volume  28.07550 ppm1  2.509  ppm2  1.865
assi (( attr rmsd < 1.751  and attr rmsd >  1.691  ) 
  and bondedto( attr rmsd <  39.1  and attr rmsd > 38.5  )) 
     ( attr rmsd < 1.35  and attr rmsd > 1.29  ) 
  6 6 0  peak  19972  volume  7.99040 ppm1  1.721  ppm2  1.320
assi (( attr rmsd < 1.052  and attr rmsd >  0.992  ) 
  and bondedto( attr rmsd <  27.462  and attr rmsd > 26.862  )) 
     ( attr rmsd < 1.838  and attr rmsd > 1.778  ) 
  6 6 0  peak  19982  volume  8.33280 ppm1  1.022  ppm2  1.808
assi (( attr rmsd < 2.53  and attr rmsd >  2.47  ) 
  and bondedto( attr rmsd <  44.222  and attr rmsd > 43.622  )) 
     ( attr rmsd < 1.504  and attr rmsd > 1.444  ) 
  6 6 0  peak  19992  volume  9.42020 ppm1  2.500  ppm2  1.474
assi (( attr rmsd < 0.904  and attr rmsd >  0.844  ) 
  and bondedto( attr rmsd <  24.504  and attr rmsd > 23.904  )) 
     ( attr rmsd < 4.979  and attr rmsd > 4.919  ) 
  6 6 0  peak  20002  volume  9.43920 ppm1  0.874  ppm2  4.949
assi (( attr rmsd < 4.656  and attr rmsd >  4.596  ) 
  and bondedto( attr rmsd <  58.764  and attr rmsd > 58.164  )) 
     ( attr rmsd < 2.829  and attr rmsd > 2.769  ) 
  6 6 0  peak  20012  volume  11.22240 ppm1  4.626  ppm2  2.799
assi (( attr rmsd < 0.796  and attr rmsd >  0.736  ) 
  and bondedto( attr rmsd <  17.603  and attr rmsd > 17.003  )) 
     ( attr rmsd < 4.853  and attr rmsd > 4.793  ) 
  6 6 0  peak  20052  volume  1.88720 ppm1  0.766  ppm2  4.823
assi (( attr rmsd < 0.471  and attr rmsd >  0.411  ) 
  and bondedto( attr rmsd <  12.92  and attr rmsd > 12.32  )) 
     ( attr rmsd < 0.938  and attr rmsd > 0.878  ) 
  6 6 0  peak  20062  volume  8.59350 ppm1  0.441  ppm2  0.908
assi (( attr rmsd < 0.111  and attr rmsd >  0.051  ) 
  and bondedto( attr rmsd <  18.623  and attr rmsd > 18.023  )) 
     ( attr rmsd < 0.962  and attr rmsd > 0.902  ) 
  6 6 0  peak  20072  volume  4.95310 ppm1  0.081  ppm2  0.932
assi (( attr rmsd < 0.397  and attr rmsd >  0.337  ) 
  and bondedto( attr rmsd <  23.305  and attr rmsd > 22.705  )) 
     ( attr rmsd < 8.328  and attr rmsd > 8.268  ) 
  6 6 0  peak  20102  volume  7.57870 ppm1  0.367  ppm2  8.298
assi (( attr rmsd < 3.945  and attr rmsd >  3.885  ) 
  and bondedto( attr rmsd <  55.835  and attr rmsd > 55.235  )) 
     ( attr rmsd < 1.746  and attr rmsd > 1.686  ) 
  6 6 0  peak  20112  volume  10.15400 ppm1  3.915  ppm2  1.716
assi (( attr rmsd < 2.537  and attr rmsd >  2.477  ) 
  and bondedto( attr rmsd <  32.67  and attr rmsd > 32.07  )) 
     ( attr rmsd < 6.932  and attr rmsd > 6.872  ) 
  6 6 0  peak  20132  volume  3.43130 ppm1  2.507  ppm2  6.902
assi (( attr rmsd < 3.634  and attr rmsd >  3.574  ) 
  and bondedto( attr rmsd <  41.541  and attr rmsd > 40.941  )) 
     ( attr rmsd < 7.527  and attr rmsd > 7.467  ) 
  6 6 0  peak  20172  volume  3.59320 ppm1  3.604  ppm2  7.497
assi (( attr rmsd < 5.69  and attr rmsd >  5.63  ) 
  and bondedto( attr rmsd <  59.531  and attr rmsd > 58.931  )) 
     ( attr rmsd < 0.705  and attr rmsd > 0.645  ) 
  6 6 0  peak  20302  volume  7.70750 ppm1  5.660  ppm2  0.675
assi (( attr rmsd < 5.695  and attr rmsd >  5.635  ) 
  and bondedto( attr rmsd <  59.531  and attr rmsd > 58.931  )) 
     ( attr rmsd < 0.365  and attr rmsd > 0.305  ) 
  6 6 0  peak  20332  volume  7.18700 ppm1  5.665  ppm2  0.335
assi (( attr rmsd < 0.892  and attr rmsd >  0.832  ) 
  and bondedto( attr rmsd <  23.059  and attr rmsd > 22.459  )) 
     ( attr rmsd < 5.162  and attr rmsd > 5.102  ) 
  6 6 0  peak  20352  volume  11.96120 ppm1  0.862  ppm2  5.132
assi (( attr rmsd < 0.941  and attr rmsd >  0.881  ) 
  and bondedto( attr rmsd <  15.173  and attr rmsd > 14.573  )) 
     ( attr rmsd < 2.625  and attr rmsd > 2.565  ) 
  6 6 0  peak  20412  volume  3.51240 ppm1  0.911  ppm2  2.595
assi (( attr rmsd < 2.133  and attr rmsd >  2.073  ) 
  and bondedto( attr rmsd <  32.67  and attr rmsd > 32.07  )) 
     ( attr rmsd < 0.747  and attr rmsd > 0.687  ) 
  6 6 0  peak  20422  volume  6.31970 ppm1  2.103  ppm2  0.717
assi (( attr rmsd < 5.163  and attr rmsd >  5.103  ) 
  and bondedto( attr rmsd <  61.996  and attr rmsd > 61.396  )) 
     ( attr rmsd < 0.742  and attr rmsd > 0.682  ) 
  6 6 0  peak  20432  volume  10.42760 ppm1  5.133  ppm2  0.712
assi (( attr rmsd < 1.246  and attr rmsd >  1.186  ) 
  and bondedto( attr rmsd <  29.22  and attr rmsd > 28.62  )) 
     ( attr rmsd < 2.376  and attr rmsd > 2.316  ) 
  6 6 0  peak  20452  volume  24.59140 ppm1  1.216  ppm2  2.346
assi (( attr rmsd < 2.593  and attr rmsd >  2.533  ) 
  and bondedto( attr rmsd <  42.281  and attr rmsd > 41.681  )) 
     ( attr rmsd < 3.067  and attr rmsd > 3.007  ) 
  6 6 0  peak  20482  volume  13.28940 ppm1  2.563  ppm2  3.037
assi (( attr rmsd < 1.685  and attr rmsd >  1.625  ) 
  and bondedto( attr rmsd <  32.423  and attr rmsd > 31.823  )) 
     ( attr rmsd < 1.085  and attr rmsd > 1.025  ) 
  6 6 0  peak  20512  volume  19.51730 ppm1  1.655  ppm2  1.055
assi (( attr rmsd < 1.687  and attr rmsd >  1.627  ) 
  and bondedto( attr rmsd <  32.423  and attr rmsd > 31.823  )) 
     ( attr rmsd < 4.162  and attr rmsd > 4.102  ) 
  6 6 0  peak  20522  volume  23.13940 ppm1  1.657  ppm2  4.132
assi (( attr rmsd < 4.358  and attr rmsd >  4.298  ) 
  and bondedto( attr rmsd <  55.835  and attr rmsd > 55.235  )) 
     ( attr rmsd < 0.803  and attr rmsd > 0.743  ) 
  6 6 0  peak  20552  volume  6.88850 ppm1  4.328  ppm2  0.773
assi (( attr rmsd < 4.356  and attr rmsd >  4.296  ) 
  and bondedto( attr rmsd <  55.835  and attr rmsd > 55.235  )) 
     ( attr rmsd < 3.913  and attr rmsd > 3.853  ) 
  6 6 0  peak  20562  volume  7.52170 ppm1  4.326  ppm2  3.883
assi (( attr rmsd < 1  and attr rmsd >  0.94  ) 
  and bondedto( attr rmsd <  22.326  and attr rmsd > 21.726  )) 
     ( attr rmsd < 7.262  and attr rmsd > 7.202  ) 
  6 6 0  peak  20582  volume  5.77200 ppm1  0.970  ppm2  7.232
assi (( attr rmsd < 3.705  and attr rmsd >  3.645  ) 
  and bondedto( attr rmsd <  44.499  and attr rmsd > 43.899  )) 
     ( attr rmsd < 4.168  and attr rmsd > 4.108  ) 
  6 6 0  peak  20592  volume  4.34370 ppm1  3.675  ppm2  4.138
assi (( attr rmsd < 3.699  and attr rmsd >  3.639  ) 
  and bondedto( attr rmsd <  44.74  and attr rmsd > 44.14  )) 
     ( attr rmsd < 3.437  and attr rmsd > 3.377  ) 
  6 6 0  peak  20602  volume  10.07780 ppm1  3.669  ppm2  3.407
assi (( attr rmsd < 3.702  and attr rmsd >  3.642  ) 
  and bondedto( attr rmsd <  44.74  and attr rmsd > 44.14  )) 
     ( attr rmsd < 3.238  and attr rmsd > 3.178  ) 
  6 6 0  peak  20612  volume  7.99060 ppm1  3.672  ppm2  3.208
assi (( attr rmsd < 4.586  and attr rmsd >  4.526  ) 
  and bondedto( attr rmsd <  44.499  and attr rmsd > 43.899  )) 
     ( attr rmsd < 3.586  and attr rmsd > 3.526  ) 
  6 6 0  peak  20642  volume  13.46890 ppm1  4.556  ppm2  3.556
assi (( attr rmsd < 4.945  and attr rmsd >  4.885  ) 
  and bondedto( attr rmsd <  58.54  and attr rmsd > 57.94  )) 
     ( attr rmsd < 5.391  and attr rmsd > 5.331  ) 
  6 6 0  peak  20672  volume  7.10470 ppm1  4.915  ppm2  5.361
assi (( attr rmsd < 1.422  and attr rmsd >  1.362  ) 
  and bondedto( attr rmsd <  33.163  and attr rmsd > 32.563  )) 
     ( attr rmsd < 0.715  and attr rmsd > 0.655  ) 
  6 6 0  peak  20692  volume  6.49330 ppm1  1.392  ppm2  0.685
assi (( attr rmsd < -0.167  and attr rmsd >  -0.227  ) 
  and bondedto( attr rmsd <  20.841  and attr rmsd > 20.241  )) 
     ( attr rmsd < 3.112  and attr rmsd > 3.052  ) 
  6 6 0  peak  20702  volume  4.47090 ppm1  -0.197  ppm2  3.082
assi (( attr rmsd < 5.156  and attr rmsd >  5.096  ) 
  and bondedto( attr rmsd <  56.328  and attr rmsd > 55.728  )) 
     ( attr rmsd < 1.498  and attr rmsd > 1.438  ) 
  6 6 0  peak  20762  volume  8.16430 ppm1  5.126  ppm2  1.468
assi (( attr rmsd < 3.997  and attr rmsd >  3.937  ) 
  and bondedto( attr rmsd <  64.214  and attr rmsd > 63.614  )) 
     ( attr rmsd < 2.274  and attr rmsd > 2.214  ) 
  6 6 0  peak  20782  volume  2.80340 ppm1  3.967  ppm2  2.244
assi (( attr rmsd < 3.999  and attr rmsd >  3.939  ) 
  and bondedto( attr rmsd <  64.214  and attr rmsd > 63.614  )) 
     ( attr rmsd < 3.558  and attr rmsd > 3.498  ) 
  6 6 0  peak  20792  volume  6.21460 ppm1  3.969  ppm2  3.528
assi (( attr rmsd < 1.495  and attr rmsd >  1.435  ) 
  and bondedto( attr rmsd <  33.902  and attr rmsd > 33.302  )) 
     ( attr rmsd < 7.12  and attr rmsd > 7.06  ) 
  6 6 0  peak  20802  volume  5.93910 ppm1  1.465  ppm2  7.090
assi (( attr rmsd < 0.821  and attr rmsd >  0.761  ) 
  and bondedto( attr rmsd <  22.32  and attr rmsd > 21.72  )) 
     ( attr rmsd < 2.883  and attr rmsd > 2.823  ) 
  6 6 0  peak  20812  volume  20.00840 ppm1  0.791  ppm2  2.853
assi (( attr rmsd < 0.827  and attr rmsd >  0.767  ) 
  and bondedto( attr rmsd <  22.32  and attr rmsd > 21.72  )) 
     ( attr rmsd < 3.945  and attr rmsd > 3.885  ) 
  6 6 0  peak  20822  volume  65.20090 ppm1  0.797  ppm2  3.915
assi (( attr rmsd < 0.83  and attr rmsd >  0.77  ) 
  and bondedto( attr rmsd <  22.32  and attr rmsd > 21.72  )) 
     ( attr rmsd < 4.423  and attr rmsd > 4.363  ) 
  6 6 0  peak  20832  volume  7.91070 ppm1  0.800  ppm2  4.393
assi (( attr rmsd < 1.212  and attr rmsd >  1.152  ) 
  and bondedto( attr rmsd <  27.248  and attr rmsd > 26.648  )) 
     ( attr rmsd < 7.119  and attr rmsd > 7.059  ) 
  6 6 0  peak  20912  volume  2.30350 ppm1  1.182  ppm2  7.089
assi (( attr rmsd < 1.216  and attr rmsd >  1.156  ) 
  and bondedto( attr rmsd <  27.248  and attr rmsd > 26.648  )) 
     ( attr rmsd < 7.018  and attr rmsd > 6.958  ) 
  6 6 0  peak  20922  volume  3.69910 ppm1  1.186  ppm2  6.988
assi (( attr rmsd < 0.938  and attr rmsd >  0.878  ) 
  and bondedto( attr rmsd <  26.509  and attr rmsd > 25.909  )) 
     ( attr rmsd < 7.519  and attr rmsd > 7.459  ) 
  6 6 0  peak  20942  volume  6.60680 ppm1  0.908  ppm2  7.489
assi (( attr rmsd < 3.667  and attr rmsd >  3.607  ) 
  and bondedto( attr rmsd <  58.792  and attr rmsd > 58.192  )) 
     ( attr rmsd < 8.128  and attr rmsd > 8.068  ) 
  6 6 0  peak  20962  volume  7.54100 ppm1  3.637  ppm2  8.098
assi (( attr rmsd < 1.808  and attr rmsd >  1.748  ) 
  and bondedto( attr rmsd <  33.409  and attr rmsd > 32.809  )) 
     ( attr rmsd < 2.31  and attr rmsd > 2.25  ) 
  6 6 0  peak  21002  volume  8.10110 ppm1  1.778  ppm2  2.280
assi (( attr rmsd < 2.952  and attr rmsd >  2.892  ) 
  and bondedto( attr rmsd <  44.006  and attr rmsd > 43.406  )) 
     ( attr rmsd < 3.297  and attr rmsd > 3.237  ) 
  6 6 0  peak  21032  volume  5.42190 ppm1  2.922  ppm2  3.267
assi (( attr rmsd < 5.135  and attr rmsd >  5.075  ) 
  and bondedto( attr rmsd <  55.095  and attr rmsd > 54.495  )) 
     ( attr rmsd < 7.01  and attr rmsd > 6.95  ) 
  6 6 0  peak  21072  volume  5.83650 ppm1  5.105  ppm2  6.980
assi (( attr rmsd < 2.232  and attr rmsd >  2.172  ) 
  and bondedto( attr rmsd <  37.106  and attr rmsd > 36.506  )) 
     ( attr rmsd < 5.136  and attr rmsd > 5.076  ) 
  6 6 0  peak  21092  volume  12.73820 ppm1  2.202  ppm2  5.106
assi (( attr rmsd < 2.218  and attr rmsd >  2.158  ) 
  and bondedto( attr rmsd <  36.86  and attr rmsd > 36.26  )) 
     ( attr rmsd < 1.429  and attr rmsd > 1.369  ) 
  6 6 0  peak  21102  volume  11.73090 ppm1  2.188  ppm2  1.399
assi (( attr rmsd < 2.159  and attr rmsd >  2.099  ) 
  and bondedto( attr rmsd <  37.106  and attr rmsd > 36.506  )) 
     ( attr rmsd < 5.204  and attr rmsd > 5.144  ) 
  6 6 0  peak  21112  volume  9.03370 ppm1  2.129  ppm2  5.174
assi (( attr rmsd < 2.161  and attr rmsd >  2.101  ) 
  and bondedto( attr rmsd <  37.106  and attr rmsd > 36.506  )) 
     ( attr rmsd < 2.544  and attr rmsd > 2.484  ) 
  6 6 0  peak  21122  volume  12.00430 ppm1  2.131  ppm2  2.514
assi (( attr rmsd < 2.165  and attr rmsd >  2.105  ) 
  and bondedto( attr rmsd <  37.106  and attr rmsd > 36.506  )) 
     ( attr rmsd < 1.609  and attr rmsd > 1.549  ) 
  6 6 0  peak  21132  volume  18.78950 ppm1  2.135  ppm2  1.579
assi (( attr rmsd < 2.162  and attr rmsd >  2.102  ) 
  and bondedto( attr rmsd <  37.106  and attr rmsd > 36.506  )) 
     ( attr rmsd < 1.743  and attr rmsd > 1.683  ) 
  6 6 0  peak  21142  volume  14.25530 ppm1  2.132  ppm2  1.713
assi (( attr rmsd < 0.567  and attr rmsd >  0.507  ) 
  and bondedto( attr rmsd <  23.552  and attr rmsd > 22.952  )) 
     ( attr rmsd < 6.943  and attr rmsd > 6.883  ) 
  6 6 0  peak  21182  volume  11.09940 ppm1  0.537  ppm2  6.913
assi (( attr rmsd < 0.411  and attr rmsd >  0.351  ) 
  and bondedto( attr rmsd <  25.277  and attr rmsd > 24.677  )) 
     ( attr rmsd < 1.751  and attr rmsd > 1.691  ) 
  6 6 0  peak  21192  volume  19.39710 ppm1  0.381  ppm2  1.721
assi (( attr rmsd < 0.404  and attr rmsd >  0.344  ) 
  and bondedto( attr rmsd <  25.277  and attr rmsd > 24.677  )) 
     ( attr rmsd < 6.948  and attr rmsd > 6.888  ) 
  6 6 0  peak  21202  volume  21.94550 ppm1  0.374  ppm2  6.918
assi (( attr rmsd < 5.396  and attr rmsd >  5.336  ) 
  and bondedto( attr rmsd <  55.83  and attr rmsd > 55.23  )) 
     ( attr rmsd < 3.979  and attr rmsd > 3.919  ) 
  6 6 0  peak  21212  volume  2.93980 ppm1  5.366  ppm2  3.949
assi (( attr rmsd < 5.388  and attr rmsd >  5.328  ) 
  and bondedto( attr rmsd <  55.83  and attr rmsd > 55.23  )) 
     ( attr rmsd < 4.172  and attr rmsd > 4.112  ) 
  6 6 0  peak  21222  volume  8.77570 ppm1  5.358  ppm2  4.142
assi (( attr rmsd < 0.297  and attr rmsd >  0.237  ) 
  and bondedto( attr rmsd <  13.201  and attr rmsd > 12.601  )) 
     ( attr rmsd < 4.867  and attr rmsd > 4.807  ) 
  6 6 0  peak  21242  volume  9.71250 ppm1  0.267  ppm2  4.837
assi (( attr rmsd < 5.002  and attr rmsd >  4.942  ) 
  and bondedto( attr rmsd <  53.863  and attr rmsd > 53.263  )) 
     ( attr rmsd < 7.524  and attr rmsd > 7.464  ) 
  6 6 0  peak  21262  volume  3.49120 ppm1  4.972  ppm2  7.494
assi (( attr rmsd < 1.567  and attr rmsd >  1.507  ) 
  and bondedto( attr rmsd <  34.88  and attr rmsd > 34.28  )) 
     ( attr rmsd < 7.531  and attr rmsd > 7.471  ) 
  6 6 0  peak  21272  volume  2.86330 ppm1  1.537  ppm2  7.501
assi (( attr rmsd < 2.942  and attr rmsd >  2.882  ) 
  and bondedto( attr rmsd <  38.584  and attr rmsd > 37.984  )) 
     ( attr rmsd < 4.474  and attr rmsd > 4.414  ) 
  6 6 0  peak  21342  volume  7.19870 ppm1  2.912  ppm2  4.444
assi (( attr rmsd < 2.942  and attr rmsd >  2.882  ) 
  and bondedto( attr rmsd <  38.584  and attr rmsd > 37.984  )) 
     ( attr rmsd < 4.979  and attr rmsd > 4.919  ) 
  6 6 0  peak  21352  volume  7.35400 ppm1  2.912  ppm2  4.949
assi (( attr rmsd < 2.696  and attr rmsd >  2.636  ) 
  and bondedto( attr rmsd <  38.584  and attr rmsd > 37.984  )) 
     ( attr rmsd < 4.465  and attr rmsd > 4.405  ) 
  6 6 0  peak  21362  volume  2.62070 ppm1  2.666  ppm2  4.435
assi (( attr rmsd < 2.706  and attr rmsd >  2.646  ) 
  and bondedto( attr rmsd <  38.584  and attr rmsd > 37.984  )) 
     ( attr rmsd < 4.806  and attr rmsd > 4.746  ) 
  6 6 0  peak  21372  volume  1.22820 ppm1  2.676  ppm2  4.776
assi (( attr rmsd < 2.404  and attr rmsd >  2.344  ) 
  and bondedto( attr rmsd <  40.556  and attr rmsd > 39.956  )) 
     ( attr rmsd < 3.171  and attr rmsd > 3.111  ) 
  6 6 0  peak  21402  volume  4.65450 ppm1  2.374  ppm2  3.141
assi (( attr rmsd < 4.359  and attr rmsd >  4.299  ) 
  and bondedto( attr rmsd <  63.228  and attr rmsd > 62.628  )) 
     ( attr rmsd < 1.494  and attr rmsd > 1.434  ) 
  6 6 0  peak  21422  volume  3.98080 ppm1  4.329  ppm2  1.464
assi (( attr rmsd < 4.357  and attr rmsd >  4.297  ) 
  and bondedto( attr rmsd <  63.228  and attr rmsd > 62.628  )) 
     ( attr rmsd < 4.188  and attr rmsd > 4.128  ) 
  6 6 0  peak  21432  volume  18.26810 ppm1  4.327  ppm2  4.158
assi (( attr rmsd < 4.866  and attr rmsd >  4.806  ) 
  and bondedto( attr rmsd <  53.124  and attr rmsd > 52.524  )) 
     ( attr rmsd < 0.765  and attr rmsd > 0.705  ) 
  6 6 0  peak  21442  volume  16.47320 ppm1  4.836  ppm2  0.735
assi (( attr rmsd < 0.143  and attr rmsd >  0.083  ) 
  and bondedto( attr rmsd <  24.537  and attr rmsd > 23.937  )) 
     ( attr rmsd < 3.015  and attr rmsd > 2.955  ) 
  6 6 0  peak  21452  volume  8.49170 ppm1  0.113  ppm2  2.985
assi (( attr rmsd < 5.523  and attr rmsd >  5.463  ) 
  and bondedto( attr rmsd <  57.806  and attr rmsd > 57.206  )) 
     ( attr rmsd < 1.481  and attr rmsd > 1.421  ) 
  6 6 0  peak  21482  volume  2.96310 ppm1  5.493  ppm2  1.451
assi (( attr rmsd < 3.806  and attr rmsd >  3.746  ) 
  and bondedto( attr rmsd <  66.431  and attr rmsd > 65.831  )) 
     ( attr rmsd < 1.532  and attr rmsd > 1.472  ) 
  6 6 0  peak  21492  volume  6.02950 ppm1  3.776  ppm2  1.502
assi (( attr rmsd < 3.7  and attr rmsd >  3.64  ) 
  and bondedto( attr rmsd <  66.185  and attr rmsd > 65.585  )) 
     ( attr rmsd < 1.896  and attr rmsd > 1.836  ) 
  6 6 0  peak  21502  volume  7.18140 ppm1  3.670  ppm2  1.866
assi (( attr rmsd < 3.69  and attr rmsd >  3.63  ) 
  and bondedto( attr rmsd <  66.185  and attr rmsd > 65.585  )) 
     ( attr rmsd < 0.892  and attr rmsd > 0.832  ) 
  6 6 0  peak  21512  volume  10.00110 ppm1  3.660  ppm2  0.862
assi (( attr rmsd < 3.69  and attr rmsd >  3.63  ) 
  and bondedto( attr rmsd <  66.185  and attr rmsd > 65.585  )) 
     ( attr rmsd < 2.841  and attr rmsd > 2.781  ) 
  6 6 0  peak  21522  volume  10.71700 ppm1  3.660  ppm2  2.811
assi (( attr rmsd < 3.691  and attr rmsd >  3.631  ) 
  and bondedto( attr rmsd <  66.185  and attr rmsd > 65.585  )) 
     ( attr rmsd < 4.419  and attr rmsd > 4.359  ) 
  6 6 0  peak  21532  volume  6.73250 ppm1  3.661  ppm2  4.389
assi (( attr rmsd < 2.546  and attr rmsd >  2.486  ) 
  and bondedto( attr rmsd <  32.423  and attr rmsd > 31.823  )) 
     ( attr rmsd < 3.248  and attr rmsd > 3.188  ) 
  6 6 0  peak  21542  volume  7.96720 ppm1  2.516  ppm2  3.218
assi (( attr rmsd < 2.135  and attr rmsd >  2.075  ) 
  and bondedto( attr rmsd <  18.13  and attr rmsd > 17.53  )) 
     ( attr rmsd < 2.961  and attr rmsd > 2.901  ) 
  6 6 0  peak  21552  volume  5.27230 ppm1  2.105  ppm2  2.931
assi (( attr rmsd < 2.786  and attr rmsd >  2.726  ) 
  and bondedto( attr rmsd <  32.423  and attr rmsd > 31.823  )) 
     ( attr rmsd < 0.985  and attr rmsd > 0.925  ) 
  6 6 0  peak  21582  volume  5.45110 ppm1  2.756  ppm2  0.955
assi (( attr rmsd < 5.015  and attr rmsd >  4.955  ) 
  and bondedto( attr rmsd <  52.631  and attr rmsd > 52.031  )) 
     ( attr rmsd < 0.755  and attr rmsd > 0.695  ) 
  6 6 0  peak  21592  volume  4.10790 ppm1  4.985  ppm2  0.725
assi (( attr rmsd < 2.6  and attr rmsd >  2.54  ) 
  and bondedto( attr rmsd <  34.641  and attr rmsd > 34.041  )) 
     ( attr rmsd < 0.753  and attr rmsd > 0.693  ) 
  6 6 0  peak  21602  volume  5.99240 ppm1  2.570  ppm2  0.723
assi (( attr rmsd < 2.295  and attr rmsd >  2.235  ) 
  and bondedto( attr rmsd <  34.641  and attr rmsd > 34.041  )) 
     ( attr rmsd < 0.751  and attr rmsd > 0.691  ) 
  6 6 0  peak  21612  volume  2.74530 ppm1  2.265  ppm2  0.721
assi (( attr rmsd < 2.301  and attr rmsd >  2.241  ) 
  and bondedto( attr rmsd <  34.641  and attr rmsd > 34.041  )) 
     ( attr rmsd < 1.885  and attr rmsd > 1.825  ) 
  6 6 0  peak  21622  volume  8.62580 ppm1  2.271  ppm2  1.855
assi (( attr rmsd < 1.879  and attr rmsd >  1.819  ) 
  and bondedto( attr rmsd <  19.855  and attr rmsd > 19.255  )) 
     ( attr rmsd < 4.495  and attr rmsd > 4.435  ) 
  6 6 0  peak  21632  volume  22.76970 ppm1  1.849  ppm2  4.465
assi (( attr rmsd < 1.884  and attr rmsd >  1.824  ) 
  and bondedto( attr rmsd <  19.855  and attr rmsd > 19.255  )) 
     ( attr rmsd < 3.251  and attr rmsd > 3.191  ) 
  6 6 0  peak  21642  volume  3.17240 ppm1  1.854  ppm2  3.221
assi (( attr rmsd < 1.892  and attr rmsd >  1.832  ) 
  and bondedto( attr rmsd <  19.855  and attr rmsd > 19.255  )) 
     ( attr rmsd < 2.833  and attr rmsd > 2.773  ) 
  6 6 0  peak  21652  volume  5.94350 ppm1  1.862  ppm2  2.803
assi (( attr rmsd < 4.758  and attr rmsd >  4.698  ) 
  and bondedto( attr rmsd <  53.124  and attr rmsd > 52.524  )) 
     ( attr rmsd < 4.579  and attr rmsd > 4.519  ) 
  6 6 0  peak  21672  volume  11.14160 ppm1  4.728  ppm2  4.549
assi (( attr rmsd < 0.734  and attr rmsd >  0.674  ) 
  and bondedto( attr rmsd <  21.087  and attr rmsd > 20.487  )) 
     ( attr rmsd < 5.017  and attr rmsd > 4.957  ) 
  6 6 0  peak  21682  volume  3.11470 ppm1  0.704  ppm2  4.987
assi (( attr rmsd < 0.729  and attr rmsd >  0.669  ) 
  and bondedto( attr rmsd <  21.087  and attr rmsd > 20.487  )) 
     ( attr rmsd < 6.984  and attr rmsd > 6.924  ) 
  6 6 0  peak  21692  volume  4.03300 ppm1  0.699  ppm2  6.954
assi (( attr rmsd < 0.796  and attr rmsd >  0.736  ) 
  and bondedto( attr rmsd <  25.277  and attr rmsd > 24.677  )) 
     ( attr rmsd < 2.272  and attr rmsd > 2.212  ) 
  6 6 0  peak  21702  volume  10.25810 ppm1  0.766  ppm2  2.242
assi (( attr rmsd < 0.804  and attr rmsd >  0.744  ) 
  and bondedto( attr rmsd <  25.277  and attr rmsd > 24.677  )) 
     ( attr rmsd < 5.377  and attr rmsd > 5.317  ) 
  6 6 0  peak  21712  volume  6.21400 ppm1  0.774  ppm2  5.347
assi (( attr rmsd < 0.798  and attr rmsd >  0.738  ) 
  and bondedto( attr rmsd <  25.277  and attr rmsd > 24.677  )) 
     ( attr rmsd < 5.769  and attr rmsd > 5.709  ) 
  6 6 0  peak  21722  volume  6.46480 ppm1  0.768  ppm2  5.739
assi (( attr rmsd < 0.799  and attr rmsd >  0.739  ) 
  and bondedto( attr rmsd <  25.277  and attr rmsd > 24.677  )) 
     ( attr rmsd < 6.987  and attr rmsd > 6.927  ) 
  6 6 0  peak  21732  volume  7.46390 ppm1  0.769  ppm2  6.957
assi (( attr rmsd < 4.257  and attr rmsd >  4.197  ) 
  and bondedto( attr rmsd <  49.92  and attr rmsd > 49.32  )) 
     ( attr rmsd < 6.9  and attr rmsd > 6.84  ) 
  6 6 0  peak  21772  volume  5.20730 ppm1  4.227  ppm2  6.870
assi (( attr rmsd < 3.91  and attr rmsd >  3.85  ) 
  and bondedto( attr rmsd <  62.242  and attr rmsd > 61.642  )) 
     ( attr rmsd < 4.104  and attr rmsd > 4.044  ) 
  6 6 0  peak  21802  volume  4.36390 ppm1  3.880  ppm2  4.074
assi (( attr rmsd < 0.816  and attr rmsd >  0.756  ) 
  and bondedto( attr rmsd <  29.22  and attr rmsd > 28.62  )) 
     ( attr rmsd < 4.085  and attr rmsd > 4.025  ) 
  6 6 0  peak  21822  volume  4.55400 ppm1  0.786  ppm2  4.055
assi (( attr rmsd < 0.643  and attr rmsd >  0.583  ) 
  and bondedto( attr rmsd <  28.727  and attr rmsd > 28.127  )) 
     ( attr rmsd < 1.087  and attr rmsd > 1.027  ) 
  6 6 0  peak  21832  volume  19.47370 ppm1  0.613  ppm2  1.057
assi (( attr rmsd < 4.796  and attr rmsd >  4.736  ) 
  and bondedto( attr rmsd <  56.574  and attr rmsd > 55.974  )) 
     ( attr rmsd < 7.26  and attr rmsd > 7.2  ) 
  6 6 0  peak  21862  volume  2.76290 ppm1  4.766  ppm2  7.230
assi (( attr rmsd < 4.816  and attr rmsd >  4.756  ) 
  and bondedto( attr rmsd <  56.574  and attr rmsd > 55.974  )) 
     ( attr rmsd < 4.42  and attr rmsd > 4.36  ) 
  6 6 0  peak  21872  volume  15.65920 ppm1  4.786  ppm2  4.390
assi (( attr rmsd < 4.824  and attr rmsd >  4.764  ) 
  and bondedto( attr rmsd <  56.574  and attr rmsd > 55.974  )) 
     ( attr rmsd < 1.893  and attr rmsd > 1.833  ) 
  6 6 0  peak  21882  volume  4.71880 ppm1  4.794  ppm2  1.863
assi (( attr rmsd < 4.67  and attr rmsd >  4.61  ) 
  and bondedto( attr rmsd <  51.892  and attr rmsd > 51.292  )) 
     ( attr rmsd < 1.712  and attr rmsd > 1.652  ) 
  6 6 0  peak  21922  volume  8.00680 ppm1  4.640  ppm2  1.682
assi (( attr rmsd < 2.925  and attr rmsd >  2.865  ) 
  and bondedto( attr rmsd <  38.338  and attr rmsd > 37.738  )) 
     ( attr rmsd < 1.784  and attr rmsd > 1.724  ) 
  6 6 0  peak  21932  volume  6.60500 ppm1  2.895  ppm2  1.754
assi (( attr rmsd < 1.98  and attr rmsd >  1.92  ) 
  and bondedto( attr rmsd <  27.248  and attr rmsd > 26.648  )) 
     ( attr rmsd < 3.682  and attr rmsd > 3.622  ) 
  6 6 0  peak  21952  volume  12.36570 ppm1  1.950  ppm2  3.652
assi (( attr rmsd < 3.152  and attr rmsd >  3.092  ) 
  and bondedto( attr rmsd <  38.338  and attr rmsd > 37.738  )) 
     ( attr rmsd < 4.681  and attr rmsd > 4.621  ) 
  6 6 0  peak  21962  volume  5.34460 ppm1  3.122  ppm2  4.651
assi (( attr rmsd < 0.698  and attr rmsd >  0.638  ) 
  and bondedto( attr rmsd <  25.523  and attr rmsd > 24.923  )) 
     ( attr rmsd < 5.77  and attr rmsd > 5.71  ) 
  6 6 0  peak  21972  volume  10.42570 ppm1  0.668  ppm2  5.740
assi (( attr rmsd < 0.684  and attr rmsd >  0.624  ) 
  and bondedto( attr rmsd <  25.523  and attr rmsd > 24.923  )) 
     ( attr rmsd < 7.638  and attr rmsd > 7.578  ) 
  6 6 0  peak  21982  volume  6.43000 ppm1  0.654  ppm2  7.608
assi (( attr rmsd < 1.297  and attr rmsd >  1.237  ) 
  and bondedto( attr rmsd <  22.812  and attr rmsd > 22.212  )) 
     ( attr rmsd < 7.513  and attr rmsd > 7.453  ) 
  6 6 0  peak  22012  volume  6.50530 ppm1  1.267  ppm2  7.483
assi (( attr rmsd < 3.679  and attr rmsd >  3.619  ) 
  and bondedto( attr rmsd <  56.82  and attr rmsd > 56.22  )) 
     ( attr rmsd < 0.805  and attr rmsd > 0.745  ) 
  6 6 0  peak  22052  volume  12.97580 ppm1  3.649  ppm2  0.775
assi (( attr rmsd < 2.296  and attr rmsd >  2.236  ) 
  and bondedto( attr rmsd <  39.077  and attr rmsd > 38.477  )) 
     ( attr rmsd < 5.111  and attr rmsd > 5.051  ) 
  6 6 0  peak  22062  volume  6.14170 ppm1  2.266  ppm2  5.081
assi (( attr rmsd < 3.278  and attr rmsd >  3.218  ) 
  and bondedto( attr rmsd <  64.953  and attr rmsd > 64.353  )) 
     ( attr rmsd < 3.847  and attr rmsd > 3.787  ) 
  6 6 0  peak  22182  volume  7.86490 ppm1  3.248  ppm2  3.817
assi (( attr rmsd < 1.644  and attr rmsd >  1.584  ) 
  and bondedto( attr rmsd <  29.959  and attr rmsd > 29.359  )) 
     ( attr rmsd < 4.696  and attr rmsd > 4.636  ) 
  6 6 0  peak  22262  volume  14.41570 ppm1  1.614  ppm2  4.666
assi (( attr rmsd < 4.685  and attr rmsd >  4.625  ) 
  and bondedto( attr rmsd <  50.906  and attr rmsd > 50.306  )) 
     ( attr rmsd < 1.045  and attr rmsd > 0.985  ) 
  6 6 0  peak  22342  volume  2.32630 ppm1  4.655  ppm2  1.015
assi (( attr rmsd < 4.682  and attr rmsd >  4.622  ) 
  and bondedto( attr rmsd <  50.906  and attr rmsd > 50.306  )) 
     ( attr rmsd < 1.438  and attr rmsd > 1.378  ) 
  6 6 0  peak  22352  volume  3.27580 ppm1  4.652  ppm2  1.408
assi (( attr rmsd < 0.703  and attr rmsd >  0.643  ) 
  and bondedto( attr rmsd <  15.419  and attr rmsd > 14.819  )) 
     ( attr rmsd < 1.514  and attr rmsd > 1.454  ) 
  6 6 0  peak  22382  volume  4.96660 ppm1  0.673  ppm2  1.484
assi (( attr rmsd < 4.453  and attr rmsd >  4.393  ) 
  and bondedto( attr rmsd <  61.749  and attr rmsd > 61.149  )) 
     ( attr rmsd < 5.156  and attr rmsd > 5.096  ) 
  6 6 0  peak  22412  volume  6.08360 ppm1  4.423  ppm2  5.126
assi (( attr rmsd < 3.797  and attr rmsd >  3.737  ) 
  and bondedto( attr rmsd <  50.9  and attr rmsd > 50.3  )) 
     ( attr rmsd < 1.096  and attr rmsd > 1.036  ) 
  6 6 0  peak  22432  volume  4.15630 ppm1  3.767  ppm2  1.066
assi (( attr rmsd < 0.912  and attr rmsd >  0.852  ) 
  and bondedto( attr rmsd <  18.869  and attr rmsd > 18.269  )) 
     ( attr rmsd < 4.092  and attr rmsd > 4.032  ) 
  6 6 0  peak  22512  volume  7.40420 ppm1  0.882  ppm2  4.062
assi (( attr rmsd < 0.91  and attr rmsd >  0.85  ) 
  and bondedto( attr rmsd <  18.869  and attr rmsd > 18.269  )) 
     ( attr rmsd < 3.909  and attr rmsd > 3.849  ) 
  6 6 0  peak  22522  volume  6.40680 ppm1  0.880  ppm2  3.879
assi (( attr rmsd < 0.918  and attr rmsd >  0.858  ) 
  and bondedto( attr rmsd <  18.869  and attr rmsd > 18.269  )) 
     ( attr rmsd < 6.949  and attr rmsd > 6.889  ) 
  6 6 0  peak  22532  volume  7.60630 ppm1  0.888  ppm2  6.919
assi (( attr rmsd < 5.168  and attr rmsd >  5.108  ) 
  and bondedto( attr rmsd <  69.389  and attr rmsd > 68.789  )) 
     ( attr rmsd < 0.853  and attr rmsd > 0.793  ) 
  6 6 0  peak  22552  volume  4.20810 ppm1  5.138  ppm2  0.823
assi (( attr rmsd < 5.154  and attr rmsd >  5.094  ) 
  and bondedto( attr rmsd <  69.389  and attr rmsd > 68.789  )) 
     ( attr rmsd < 2.089  and attr rmsd > 2.029  ) 
  6 6 0  peak  22562  volume  1.53090 ppm1  5.124  ppm2  2.059
assi (( attr rmsd < 0.925  and attr rmsd >  0.865  ) 
  and bondedto( attr rmsd <  18.869  and attr rmsd > 18.269  )) 
     ( attr rmsd < 7.081  and attr rmsd > 7.021  ) 
  6 6 0  peak  22572  volume  2.64220 ppm1  0.895  ppm2  7.051
assi (( attr rmsd < 0.922  and attr rmsd >  0.862  ) 
  and bondedto( attr rmsd <  18.869  and attr rmsd > 18.269  )) 
     ( attr rmsd < -0.045  and attr rmsd > -0.105  ) 
  6 6 0  peak  22582  volume  9.51180 ppm1  0.892  ppm2  -0.075
assi (( attr rmsd < 0.922  and attr rmsd >  0.862  ) 
  and bondedto( attr rmsd <  18.869  and attr rmsd > 18.269  )) 
     ( attr rmsd < 0.989  and attr rmsd > 0.929  ) 
  6 6 0  peak  22592  volume  18.84590 ppm1  0.892  ppm2  0.959
assi (( attr rmsd < 0.845  and attr rmsd >  0.785  ) 
  and bondedto( attr rmsd <  14.187  and attr rmsd > 13.587  )) 
     ( attr rmsd < 5.42  and attr rmsd > 5.36  ) 
  6 6 0  peak  22602  volume  2.09580 ppm1  0.815  ppm2  5.390
assi (( attr rmsd < 4.731  and attr rmsd >  4.671  ) 
  and bondedto( attr rmsd <  54.356  and attr rmsd > 53.756  )) 
     ( attr rmsd < 0.495  and attr rmsd > 0.435  ) 
  6 6 0  peak  22612  volume  6.34390 ppm1  4.701  ppm2  0.465
assi (( attr rmsd < 4.724  and attr rmsd >  4.664  ) 
  and bondedto( attr rmsd <  54.356  and attr rmsd > 53.756  )) 
     ( attr rmsd < 5.163  and attr rmsd > 5.103  ) 
  6 6 0  peak  22622  volume  6.00080 ppm1  4.694  ppm2  5.133
assi (( attr rmsd < 4.727  and attr rmsd >  4.667  ) 
  and bondedto( attr rmsd <  54.356  and attr rmsd > 53.756  )) 
     ( attr rmsd < 4.518  and attr rmsd > 4.458  ) 
  6 6 0  peak  22632  volume  26.04960 ppm1  4.697  ppm2  4.488
assi (( attr rmsd < 2.292  and attr rmsd >  2.232  ) 
  and bondedto( attr rmsd <  32.916  and attr rmsd > 32.316  )) 
     ( attr rmsd < 2.958  and attr rmsd > 2.898  ) 
  6 6 0  peak  22652  volume  9.34550 ppm1  2.262  ppm2  2.928
assi (( attr rmsd < 2.295  and attr rmsd >  2.235  ) 
  and bondedto( attr rmsd <  32.916  and attr rmsd > 32.316  )) 
     ( attr rmsd < 7.689  and attr rmsd > 7.629  ) 
  6 6 0  peak  22662  volume  15.37700 ppm1  2.265  ppm2  7.659
assi (( attr rmsd < 3.888  and attr rmsd >  3.828  ) 
  and bondedto( attr rmsd <  59.285  and attr rmsd > 58.685  )) 
     ( attr rmsd < 1.915  and attr rmsd > 1.855  ) 
  6 6 0  peak  22672  volume  17.32870 ppm1  3.858  ppm2  1.885
assi (( attr rmsd < 1.722  and attr rmsd >  1.662  ) 
  and bondedto( attr rmsd <  26.509  and attr rmsd > 25.909  )) 
     ( attr rmsd < 3.997  and attr rmsd > 3.937  ) 
  6 6 0  peak  22702  volume  4.76710 ppm1  1.692  ppm2  3.967
assi (( attr rmsd < 3.213  and attr rmsd >  3.153  ) 
  and bondedto( attr rmsd <  42.527  and attr rmsd > 41.927  )) 
     ( attr rmsd < 4.281  and attr rmsd > 4.221  ) 
  6 6 0  peak  22712  volume  6.05750 ppm1  3.183  ppm2  4.251
assi (( attr rmsd < 3.22  and attr rmsd >  3.16  ) 
  and bondedto( attr rmsd <  42.527  and attr rmsd > 41.927  )) 
     ( attr rmsd < 6.951  and attr rmsd > 6.891  ) 
  6 6 0  peak  22722  volume  6.11870 ppm1  3.190  ppm2  6.921
assi (( attr rmsd < 3.21  and attr rmsd >  3.15  ) 
  and bondedto( attr rmsd <  42.527  and attr rmsd > 41.927  )) 
     ( attr rmsd < 1.333  and attr rmsd > 1.273  ) 
  6 6 0  peak  22732  volume  4.15720 ppm1  3.180  ppm2  1.303
assi (( attr rmsd < 3.088  and attr rmsd >  3.028  ) 
  and bondedto( attr rmsd <  41.788  and attr rmsd > 41.188  )) 
     ( attr rmsd < 0.589  and attr rmsd > 0.529  ) 
  6 6 0  peak  22742  volume  8.71550 ppm1  3.058  ppm2  0.559
assi (( attr rmsd < 5.223  and attr rmsd >  5.163  ) 
  and bondedto( attr rmsd <  54.356  and attr rmsd > 53.756  )) 
     ( attr rmsd < 1.262  and attr rmsd > 1.202  ) 
  6 6 0  peak  22752  volume  5.28770 ppm1  5.193  ppm2  1.232
assi (( attr rmsd < 5.22  and attr rmsd >  5.16  ) 
  and bondedto( attr rmsd <  54.356  and attr rmsd > 53.756  )) 
     ( attr rmsd < 0.545  and attr rmsd > 0.485  ) 
  6 6 0  peak  22762  volume  4.54080 ppm1  5.190  ppm2  0.515
assi (( attr rmsd < 5.391  and attr rmsd >  5.331  ) 
  and bondedto( attr rmsd <  55.835  and attr rmsd > 55.235  )) 
     ( attr rmsd < 4.942  and attr rmsd > 4.882  ) 
  6 6 0  peak  22772  volume  8.53330 ppm1  5.361  ppm2  4.912
assi (( attr rmsd < 5.154  and attr rmsd >  5.094  ) 
  and bondedto( attr rmsd <  61.996  and attr rmsd > 61.396  )) 
     ( attr rmsd < 0.584  and attr rmsd > 0.524  ) 
  6 6 0  peak  22782  volume  14.18750 ppm1  5.124  ppm2  0.554
assi (( attr rmsd < 4.591  and attr rmsd >  4.531  ) 
  and bondedto( attr rmsd <  55.095  and attr rmsd > 54.495  )) 
     ( attr rmsd < 0.614  and attr rmsd > 0.554  ) 
  6 6 0  peak  22792  volume  11.15850 ppm1  4.561  ppm2  0.584
assi (( attr rmsd < 4.548  and attr rmsd >  4.488  ) 
  and bondedto( attr rmsd <  58.053  and attr rmsd > 57.453  )) 
     ( attr rmsd < 7.212  and attr rmsd > 7.152  ) 
  6 6 0  peak  22812  volume  4.07240 ppm1  4.518  ppm2  7.182
assi (( attr rmsd < 3.241  and attr rmsd >  3.181  ) 
  and bondedto( attr rmsd <  29.712  and attr rmsd > 29.112  )) 
     ( attr rmsd < 3.615  and attr rmsd > 3.555  ) 
  6 6 0  peak  22822  volume  6.17350 ppm1  3.211  ppm2  3.585
assi (( attr rmsd < 3.405  and attr rmsd >  3.345  ) 
  and bondedto( attr rmsd <  29.712  and attr rmsd > 29.112  )) 
     ( attr rmsd < 3.618  and attr rmsd > 3.558  ) 
  6 6 0  peak  22832  volume  3.93570 ppm1  3.375  ppm2  3.588
assi (( attr rmsd < 4.712  and attr rmsd >  4.652  ) 
  and bondedto( attr rmsd <  54.356  and attr rmsd > 53.756  )) 
     ( attr rmsd < 1.269  and attr rmsd > 1.209  ) 
  6 6 0  peak  22862  volume  5.49800 ppm1  4.682  ppm2  1.239
assi (( attr rmsd < 4.159  and attr rmsd >  4.099  ) 
  and bondedto( attr rmsd <  45.484  and attr rmsd > 44.884  )) 
     ( attr rmsd < 4.574  and attr rmsd > 4.514  ) 
  6 6 0  peak  22892  volume  7.71330 ppm1  4.129  ppm2  4.544
assi (( attr rmsd < 3.566  and attr rmsd >  3.506  ) 
  and bondedto( attr rmsd <  45.484  and attr rmsd > 44.884  )) 
     ( attr rmsd < 3.697  and attr rmsd > 3.637  ) 
  6 6 0  peak  22912  volume  3.57260 ppm1  3.536  ppm2  3.667
assi (( attr rmsd < 4.18  and attr rmsd >  4.12  ) 
  and bondedto( attr rmsd <  64.706  and attr rmsd > 64.106  )) 
     ( attr rmsd < 4.472  and attr rmsd > 4.412  ) 
  6 6 0  peak  22922  volume  10.02720 ppm1  4.150  ppm2  4.442
assi (( attr rmsd < 4.302  and attr rmsd >  4.242  ) 
  and bondedto( attr rmsd <  64.706  and attr rmsd > 64.106  )) 
     ( attr rmsd < 3.978  and attr rmsd > 3.918  ) 
  6 6 0  peak  22932  volume  15.51000 ppm1  4.272  ppm2  3.948
assi (( attr rmsd < 4.173  and attr rmsd >  4.113  ) 
  and bondedto( attr rmsd <  64.706  and attr rmsd > 64.106  )) 
     ( attr rmsd < 3.978  and attr rmsd > 3.918  ) 
  6 6 0  peak  22942  volume  55.35760 ppm1  4.143  ppm2  3.948
assi (( attr rmsd < 4.176  and attr rmsd >  4.116  ) 
  and bondedto( attr rmsd <  64.706  and attr rmsd > 64.106  )) 
     ( attr rmsd < 5.387  and attr rmsd > 5.327  ) 
  6 6 0  peak  22952  volume  8.57240 ppm1  4.146  ppm2  5.357
assi (( attr rmsd < 4.302  and attr rmsd >  4.242  ) 
  and bondedto( attr rmsd <  64.706  and attr rmsd > 64.106  )) 
     ( attr rmsd < 5.39  and attr rmsd > 5.33  ) 
  6 6 0  peak  22962  volume  2.37960 ppm1  4.272  ppm2  5.360
assi (( attr rmsd < 5.113  and attr rmsd >  5.053  ) 
  and bondedto( attr rmsd <  59.038  and attr rmsd > 58.438  )) 
     ( attr rmsd < 5.389  and attr rmsd > 5.329  ) 
  6 6 0  peak  22972  volume  5.49100 ppm1  5.083  ppm2  5.359
assi (( attr rmsd < 5.137  and attr rmsd >  5.077  ) 
  and bondedto( attr rmsd <  58.792  and attr rmsd > 58.192  )) 
     ( attr rmsd < 8.005  and attr rmsd > 7.945  ) 
  6 6 0  peak  22982  volume  11.49510 ppm1  5.107  ppm2  7.975
assi (( attr rmsd < 3.931  and attr rmsd >  3.871  ) 
  and bondedto( attr rmsd <  72.592  and attr rmsd > 71.992  )) 
     ( attr rmsd < 2.845  and attr rmsd > 2.785  ) 
  6 6 0  peak  22992  volume  4.94410 ppm1  3.901  ppm2  2.815
assi (( attr rmsd < 3.933  and attr rmsd >  3.873  ) 
  and bondedto( attr rmsd <  72.592  and attr rmsd > 71.992  )) 
     ( attr rmsd < 3.699  and attr rmsd > 3.639  ) 
  6 6 0  peak  23002  volume  3.28870 ppm1  3.903  ppm2  3.669
assi (( attr rmsd < 0.896  and attr rmsd >  0.836  ) 
  and bondedto( attr rmsd <  21.826  and attr rmsd > 21.226  )) 
     ( attr rmsd < 1.861  and attr rmsd > 1.801  ) 
  6 6 0  peak  23022  volume  13.19330 ppm1  0.866  ppm2  1.831
assi (( attr rmsd < 0.915  and attr rmsd >  0.855  ) 
  and bondedto( attr rmsd <  27.495  and attr rmsd > 26.895  )) 
     ( attr rmsd < 1.154  and attr rmsd > 1.094  ) 
  6 6 0  peak  23032  volume  6.47360 ppm1  0.885  ppm2  1.124
assi (( attr rmsd < 2.222  and attr rmsd >  2.162  ) 
  and bondedto( attr rmsd <  36.859  and attr rmsd > 36.259  )) 
     ( attr rmsd < 0.407  and attr rmsd > 0.347  ) 
  6 6 0  peak  23042  volume  8.15110 ppm1  2.192  ppm2  0.377
assi (( attr rmsd < 4.518  and attr rmsd >  4.458  ) 
  and bondedto( attr rmsd <  55.588  and attr rmsd > 54.988  )) 
     ( attr rmsd < 4.729  and attr rmsd > 4.669  ) 
  6 6 0  peak  23062  volume  20.07530 ppm1  4.488  ppm2  4.699
assi (( attr rmsd < 1.773  and attr rmsd >  1.713  ) 
  and bondedto( attr rmsd <  26.262  and attr rmsd > 25.662  )) 
     ( attr rmsd < 0.768  and attr rmsd > 0.708  ) 
  6 6 0  peak  23072  volume  10.35270 ppm1  1.743  ppm2  0.738
assi (( attr rmsd < 1.776  and attr rmsd >  1.716  ) 
  and bondedto( attr rmsd <  26.262  and attr rmsd > 25.662  )) 
     ( attr rmsd < -0.322  and attr rmsd > -0.382  ) 
  6 6 0  peak  23082  volume  7.79990 ppm1  1.746  ppm2  -0.352
assi (( attr rmsd < 1.631  and attr rmsd >  1.571  ) 
  and bondedto( attr rmsd <  18.376  and attr rmsd > 17.776  )) 
     ( attr rmsd < 6.894  and attr rmsd > 6.834  ) 
  6 6 0  peak  23112  volume  6.20020 ppm1  1.601  ppm2  6.864
assi (( attr rmsd < 0.988  and attr rmsd >  0.928  ) 
  and bondedto( attr rmsd <  22.319  and attr rmsd > 21.719  )) 
     ( attr rmsd < 2.878  and attr rmsd > 2.818  ) 
  6 6 0  peak  23162  volume  12.03480 ppm1  0.958  ppm2  2.848
assi (( attr rmsd < 0.988  and attr rmsd >  0.928  ) 
  and bondedto( attr rmsd <  22.319  and attr rmsd > 21.719  )) 
     ( attr rmsd < 2.8  and attr rmsd > 2.74  ) 
  6 6 0  peak  23172  volume  16.40320 ppm1  0.958  ppm2  2.770
assi (( attr rmsd < 1.118  and attr rmsd >  1.058  ) 
  and bondedto( attr rmsd <  21.334  and attr rmsd > 20.734  )) 
     ( attr rmsd < 3.316  and attr rmsd > 3.256  ) 
  6 6 0  peak  23182  volume  3.46210 ppm1  1.088  ppm2  3.286
assi (( attr rmsd < 0.408  and attr rmsd >  0.348  ) 
  and bondedto( attr rmsd <  25.277  and attr rmsd > 24.677  )) 
     ( attr rmsd < 7.089  and attr rmsd > 7.029  ) 
  6 6 0  peak  23192  volume  5.86740 ppm1  0.378  ppm2  7.059
assi (( attr rmsd < 1.672  and attr rmsd >  1.612  ) 
  and bondedto( attr rmsd <  28.973  and attr rmsd > 28.373  )) 
     ( attr rmsd < 2.313  and attr rmsd > 2.253  ) 
  6 6 0  peak  23232  volume  5.31600 ppm1  1.642  ppm2  2.283
assi (( attr rmsd < 1.477  and attr rmsd >  1.417  ) 
  and bondedto( attr rmsd <  27.25  and attr rmsd > 26.65  )) 
     ( attr rmsd < 1.87  and attr rmsd > 1.81  ) 
  6 6 0  peak  23252  volume  24.82200 ppm1  1.447  ppm2  1.840
assi (( attr rmsd < 0.902  and attr rmsd >  0.842  ) 
  and bondedto( attr rmsd <  21.826  and attr rmsd > 21.226  )) 
     ( attr rmsd < 8.018  and attr rmsd > 7.958  ) 
  6 6 0  peak  23262  volume  3.56480 ppm1  0.872  ppm2  7.988
assi (( attr rmsd < 3.222  and attr rmsd >  3.162  ) 
  and bondedto( attr rmsd <  66.185  and attr rmsd > 65.585  )) 
     ( attr rmsd < 2.843  and attr rmsd > 2.783  ) 
  6 6 0  peak  23272  volume  5.56750 ppm1  3.192  ppm2  2.813
assi (( attr rmsd < 3.213  and attr rmsd >  3.153  ) 
  and bondedto( attr rmsd <  66.185  and attr rmsd > 65.585  )) 
     ( attr rmsd < 3.708  and attr rmsd > 3.648  ) 
  6 6 0  peak  23282  volume  7.32260 ppm1  3.183  ppm2  3.678
assi (( attr rmsd < 3.819  and attr rmsd >  3.759  ) 
  and bondedto( attr rmsd <  66.185  and attr rmsd > 65.585  )) 
     ( attr rmsd < 1.899  and attr rmsd > 1.839  ) 
  6 6 0  peak  23292  volume  6.41340 ppm1  3.789  ppm2  1.869
assi (( attr rmsd < 1.044  and attr rmsd >  0.984  ) 
  and bondedto( attr rmsd <  14.187  and attr rmsd > 13.587  )) 
     ( attr rmsd < 1.515  and attr rmsd > 1.455  ) 
  6 6 0  peak  23312  volume  6.11340 ppm1  1.014  ppm2  1.485
assi (( attr rmsd < 5.369  and attr rmsd >  5.309  ) 
  and bondedto( attr rmsd <  54.11  and attr rmsd > 53.51  )) 
     ( attr rmsd < 5.763  and attr rmsd > 5.703  ) 
  6 6 0  peak  23322  volume  7.20100 ppm1  5.339  ppm2  5.733
assi (( attr rmsd < 0.828  and attr rmsd >  0.768  ) 
  and bondedto( attr rmsd <  22.319  and attr rmsd > 21.719  )) 
     ( attr rmsd < 7.006  and attr rmsd > 6.946  ) 
  6 6 0  peak  23332  volume  10.95170 ppm1  0.798  ppm2  6.976
assi (( attr rmsd < 0.832  and attr rmsd >  0.772  ) 
  and bondedto( attr rmsd <  22.319  and attr rmsd > 21.719  )) 
     ( attr rmsd < 5.136  and attr rmsd > 5.076  ) 
  6 6 0  peak  23342  volume  17.57930 ppm1  0.802  ppm2  5.106
assi (( attr rmsd < 0.838  and attr rmsd >  0.778  ) 
  and bondedto( attr rmsd <  22.319  and attr rmsd > 21.719  )) 
     ( attr rmsd < 4.776  and attr rmsd > 4.716  ) 
  6 6 0  peak  23352  volume  8.28950 ppm1  0.808  ppm2  4.746
assi (( attr rmsd < 0.829  and attr rmsd >  0.769  ) 
  and bondedto( attr rmsd <  22.319  and attr rmsd > 21.719  )) 
     ( attr rmsd < 3.557  and attr rmsd > 3.497  ) 
  6 6 0  peak  23362  volume  5.87780 ppm1  0.799  ppm2  3.527
assi (( attr rmsd < 0.408  and attr rmsd >  0.348  ) 
  and bondedto( attr rmsd <  25.277  and attr rmsd > 24.677  )) 
     ( attr rmsd < 0.998  and attr rmsd > 0.938  ) 
  6 6 0  peak  23372  volume  15.29340 ppm1  0.378  ppm2  0.968
assi (( attr rmsd < 0.404  and attr rmsd >  0.344  ) 
  and bondedto( attr rmsd <  25.277  and attr rmsd > 24.677  )) 
     ( attr rmsd < 0.793  and attr rmsd > 0.733  ) 
  6 6 0  peak  23382  volume  61.92610 ppm1  0.374  ppm2  0.763
assi (( attr rmsd < 0.58  and attr rmsd >  0.52  ) 
  and bondedto( attr rmsd <  23.552  and attr rmsd > 22.952  )) 
     ( attr rmsd < 1  and attr rmsd > 0.94  ) 
  6 6 0  peak  23392  volume  43.75150 ppm1  0.550  ppm2  0.970
assi (( attr rmsd < 0.303  and attr rmsd >  0.243  ) 
  and bondedto( attr rmsd <  13.201  and attr rmsd > 12.601  )) 
     ( attr rmsd < 4.995  and attr rmsd > 4.935  ) 
  6 6 0  peak  23402  volume  3.33590 ppm1  0.273  ppm2  4.965
assi (( attr rmsd < 1.052  and attr rmsd >  0.992  ) 
  and bondedto( attr rmsd <  27.495  and attr rmsd > 26.895  )) 
     ( attr rmsd < 2.074  and attr rmsd > 2.014  ) 
  6 6 0  peak  23412  volume  3.17190 ppm1  1.022  ppm2  2.044
assi (( attr rmsd < 2.097  and attr rmsd >  2.037  ) 
  and bondedto( attr rmsd <  34.395  and attr rmsd > 33.795  )) 
     ( attr rmsd < 1.45  and attr rmsd > 1.39  ) 
  6 6 0  peak  23422  volume  18.68200 ppm1  2.067  ppm2  1.420
assi (( attr rmsd < 5.321  and attr rmsd >  5.261  ) 
  and bondedto( attr rmsd <  61.749  and attr rmsd > 61.149  )) 
     ( attr rmsd < 1.347  and attr rmsd > 1.287  ) 
  6 6 0  peak  23432  volume  7.93160 ppm1  5.291  ppm2  1.317
assi (( attr rmsd < -0.055  and attr rmsd >  -0.115  ) 
  and bondedto( attr rmsd <  18.376  and attr rmsd > 17.776  )) 
     ( attr rmsd < 1.475  and attr rmsd > 1.415  ) 
  6 6 0  peak  23442  volume  18.37940 ppm1  -0.085  ppm2  1.445
assi (( attr rmsd < -0.069  and attr rmsd >  -0.129  ) 
  and bondedto( attr rmsd <  18.376  and attr rmsd > 17.776  )) 
     ( attr rmsd < 1.281  and attr rmsd > 1.221  ) 
  6 6 0  peak  23452  volume  10.05140 ppm1  -0.099  ppm2  1.251
assi (( attr rmsd < 4.865  and attr rmsd >  4.805  ) 
  and bondedto( attr rmsd <  53.124  and attr rmsd > 52.524  )) 
     ( attr rmsd < 1.892  and attr rmsd > 1.832  ) 
  6 6 0  peak  23472  volume  11.80850 ppm1  4.835  ppm2  1.862
assi (( attr rmsd < 4.054  and attr rmsd >  3.994  ) 
  and bondedto( attr rmsd <  64.214  and attr rmsd > 63.614  )) 
     ( attr rmsd < 1.139  and attr rmsd > 1.079  ) 
  6 6 0  peak  23482  volume  6.69530 ppm1  4.024  ppm2  1.109
assi (( attr rmsd < 1.879  and attr rmsd >  1.819  ) 
  and bondedto( attr rmsd <  19.855  and attr rmsd > 19.255  )) 
     ( attr rmsd < 4.865  and attr rmsd > 4.805  ) 
  6 6 0  peak  23502  volume  7.94820 ppm1  1.849  ppm2  4.835
assi (( attr rmsd < 1.877  and attr rmsd >  1.817  ) 
  and bondedto( attr rmsd <  19.855  and attr rmsd > 19.255  )) 
     ( attr rmsd < 4.148  and attr rmsd > 4.088  ) 
  6 6 0  peak  23512  volume  3.26030 ppm1  1.847  ppm2  4.118
assi (( attr rmsd < 1.694  and attr rmsd >  1.634  ) 
  and bondedto( attr rmsd <  19.362  and attr rmsd > 18.762  )) 
     ( attr rmsd < 3.926  and attr rmsd > 3.866  ) 
  6 6 0  peak  23522  volume  14.03260 ppm1  1.664  ppm2  3.896
assi (( attr rmsd < 1.699  and attr rmsd >  1.639  ) 
  and bondedto( attr rmsd <  19.362  and attr rmsd > 18.762  )) 
     ( attr rmsd < 4.581  and attr rmsd > 4.521  ) 
  6 6 0  peak  23532  volume  12.41400 ppm1  1.669  ppm2  4.551
assi (( attr rmsd < 1.697  and attr rmsd >  1.637  ) 
  and bondedto( attr rmsd <  19.362  and attr rmsd > 18.762  )) 
     ( attr rmsd < 5.047  and attr rmsd > 4.987  ) 
  6 6 0  peak  23542  volume  2.34950 ppm1  1.667  ppm2  5.017
assi (( attr rmsd < 1.688  and attr rmsd >  1.628  ) 
  and bondedto( attr rmsd <  19.362  and attr rmsd > 18.762  )) 
     ( attr rmsd < 4.254  and attr rmsd > 4.194  ) 
  6 6 0  peak  23552  volume  6.85450 ppm1  1.658  ppm2  4.224
assi (( attr rmsd < 1.688  and attr rmsd >  1.628  ) 
  and bondedto( attr rmsd <  19.362  and attr rmsd > 18.762  )) 
     ( attr rmsd < 2.842  and attr rmsd > 2.782  ) 
  6 6 0  peak  23562  volume  7.06790 ppm1  1.658  ppm2  2.812
assi (( attr rmsd < 4.791  and attr rmsd >  4.731  ) 
  and bondedto( attr rmsd <  53.124  and attr rmsd > 52.524  )) 
     ( attr rmsd < 2.38  and attr rmsd > 2.32  ) 
  6 6 0  peak  23572  volume  8.33400 ppm1  4.761  ppm2  2.350
assi (( attr rmsd < 1.586  and attr rmsd >  1.526  ) 
  and bondedto( attr rmsd <  20.841  and attr rmsd > 20.241  )) 
     ( attr rmsd < 2.663  and attr rmsd > 2.603  ) 
  6 6 0  peak  23582  volume  5.49530 ppm1  1.556  ppm2  2.633
assi (( attr rmsd < 5.38  and attr rmsd >  5.32  ) 
  and bondedto( attr rmsd <  55.588  and attr rmsd > 54.988  )) 
     ( attr rmsd < 1.342  and attr rmsd > 1.282  ) 
  6 6 0  peak  23592  volume  4.09700 ppm1  5.350  ppm2  1.312
assi (( attr rmsd < 3.41  and attr rmsd >  3.35  ) 
  and bondedto( attr rmsd <  50.66  and attr rmsd > 50.06  )) 
     ( attr rmsd < 2.099  and attr rmsd > 2.039  ) 
  6 6 0  peak  23602  volume  9.36760 ppm1  3.380  ppm2  2.069
assi (( attr rmsd < 4.645  and attr rmsd >  4.585  ) 
  and bondedto( attr rmsd <  62.735  and attr rmsd > 62.135  )) 
     ( attr rmsd < 0.57  and attr rmsd > 0.51  ) 
  6 6 0  peak  23622  volume  3.57770 ppm1  4.615  ppm2  0.540
assi (( attr rmsd < 4.447  and attr rmsd >  4.387  ) 
  and bondedto( attr rmsd <  61.749  and attr rmsd > 61.149  )) 
     ( attr rmsd < 4.712  and attr rmsd > 4.652  ) 
  6 6 0  peak  23632  volume  25.59860 ppm1  4.417  ppm2  4.682
assi (( attr rmsd < 0.934  and attr rmsd >  0.874  ) 
  and bondedto( attr rmsd <  15.173  and attr rmsd > 14.573  )) 
     ( attr rmsd < 4.508  and attr rmsd > 4.448  ) 
  6 6 0  peak  23642  volume  4.90600 ppm1  0.904  ppm2  4.478
assi (( attr rmsd < -0.177  and attr rmsd >  -0.237  ) 
  and bondedto( attr rmsd <  20.841  and attr rmsd > 20.241  )) 
     ( attr rmsd < 2.647  and attr rmsd > 2.587  ) 
  6 6 0  peak  23652  volume  2.16800 ppm1  -0.207  ppm2  2.617
assi (( attr rmsd < 5.687  and attr rmsd >  5.627  ) 
  and bondedto( attr rmsd <  59.531  and attr rmsd > 58.931  )) 
     ( attr rmsd < 4.743  and attr rmsd > 4.683  ) 
  6 6 0  peak  23662  volume  12.11370 ppm1  5.657  ppm2  4.713
assi (( attr rmsd < 0.4  and attr rmsd >  0.34  ) 
  and bondedto( attr rmsd <  14.68  and attr rmsd > 14.08  )) 
     ( attr rmsd < 6.113  and attr rmsd > 6.053  ) 
  6 6 0  peak  23692  volume  7.18320 ppm1  0.370  ppm2  6.083
assi (( attr rmsd < 0.412  and attr rmsd >  0.352  ) 
  and bondedto( attr rmsd <  14.68  and attr rmsd > 14.08  )) 
     ( attr rmsd < 7.098  and attr rmsd > 7.038  ) 
  6 6 0  peak  23702  volume  5.16350 ppm1  0.382  ppm2  7.068
assi (( attr rmsd < 1.764  and attr rmsd >  1.704  ) 
  and bondedto( attr rmsd <  43.759  and attr rmsd > 43.159  )) 
     ( attr rmsd < 4.516  and attr rmsd > 4.456  ) 
  6 6 0  peak  23712  volume  2.45880 ppm1  1.734  ppm2  4.486
assi (( attr rmsd < 0.851  and attr rmsd >  0.791  ) 
  and bondedto( attr rmsd <  14.187  and attr rmsd > 13.587  )) 
     ( attr rmsd < 8.128  and attr rmsd > 8.068  ) 
  6 6 0  peak  23722  volume  3.55330 ppm1  0.821  ppm2  8.098
assi (( attr rmsd < 1.744  and attr rmsd >  1.684  ) 
  and bondedto( attr rmsd <  16.405  and attr rmsd > 15.805  )) 
     ( attr rmsd < 7.084  and attr rmsd > 7.024  ) 
  6 6 0  peak  23732  volume  14.14770 ppm1  1.714  ppm2  7.054
assi (( attr rmsd < 1.746  and attr rmsd >  1.686  ) 
  and bondedto( attr rmsd <  16.405  and attr rmsd > 15.805  )) 
     ( attr rmsd < 5.172  and attr rmsd > 5.112  ) 
  6 6 0  peak  23742  volume  6.93040 ppm1  1.716  ppm2  5.142
assi (( attr rmsd < 1.49  and attr rmsd >  1.43  ) 
  and bondedto( attr rmsd <  33.902  and attr rmsd > 33.302  )) 
     ( attr rmsd < 5.116  and attr rmsd > 5.056  ) 
  6 6 0  peak  23772  volume  3.79060 ppm1  1.460  ppm2  5.086
assi (( attr rmsd < 4.793  and attr rmsd >  4.733  ) 
  and bondedto( attr rmsd <  55.588  and attr rmsd > 54.988  )) 
     ( attr rmsd < 4.591  and attr rmsd > 4.531  ) 
  6 6 0  peak  23822  volume  10.84050 ppm1  4.763  ppm2  4.561
assi (( attr rmsd < 3.09  and attr rmsd >  3.03  ) 
  and bondedto( attr rmsd <  41.788  and attr rmsd > 41.188  )) 
     ( attr rmsd < 3.394  and attr rmsd > 3.334  ) 
  6 6 0  peak  23832  volume  16.54710 ppm1  3.060  ppm2  3.364
assi (( attr rmsd < 4.483  and attr rmsd >  4.423  ) 
  and bondedto( attr rmsd <  57.313  and attr rmsd > 56.713  )) 
     ( attr rmsd < 7.68  and attr rmsd > 7.62  ) 
  6 6 0  peak  23842  volume  13.68380 ppm1  4.453  ppm2  7.650
assi (( attr rmsd < 0.942  and attr rmsd >  0.882  ) 
  and bondedto( attr rmsd <  25.277  and attr rmsd > 24.677  )) 
     ( attr rmsd < 7.969  and attr rmsd > 7.909  ) 
  6 6 0  peak  23902  volume  2.96100 ppm1  0.912  ppm2  7.939
assi (( attr rmsd < 0.945  and attr rmsd >  0.885  ) 
  and bondedto( attr rmsd <  25.277  and attr rmsd > 24.677  )) 
     ( attr rmsd < 7.612  and attr rmsd > 7.552  ) 
  6 6 0  peak  23912  volume  1.20420 ppm1  0.915  ppm2  7.582
assi (( attr rmsd < 3.91  and attr rmsd >  3.85  ) 
  and bondedto( attr rmsd <  63.967  and attr rmsd > 63.367  )) 
     ( attr rmsd < 4.201  and attr rmsd > 4.141  ) 
  6 6 0  peak  23962  volume  6.01610 ppm1  3.880  ppm2  4.171
assi (( attr rmsd < 4.495  and attr rmsd >  4.435  ) 
  and bondedto( attr rmsd <  63.721  and attr rmsd > 63.121  )) 
     ( attr rmsd < 2.449  and attr rmsd > 2.389  ) 
  6 6 0  peak  23972  volume  2.45280 ppm1  4.465  ppm2  2.419
assi (( attr rmsd < 3.666  and attr rmsd >  3.606  ) 
  and bondedto( attr rmsd <  50.906  and attr rmsd > 50.306  )) 
     ( attr rmsd < 4.862  and attr rmsd > 4.802  ) 
  6 6 0  peak  23982  volume  8.39750 ppm1  3.636  ppm2  4.832
assi (( attr rmsd < 3.784  and attr rmsd >  3.724  ) 
  and bondedto( attr rmsd <  50.906  and attr rmsd > 50.306  )) 
     ( attr rmsd < 4.862  and attr rmsd > 4.802  ) 
  6 6 0  peak  23992  volume  4.68130 ppm1  3.754  ppm2  4.832
assi (( attr rmsd < 1.939  and attr rmsd >  1.879  ) 
  and bondedto( attr rmsd <  32.916  and attr rmsd > 32.316  )) 
     ( attr rmsd < 5.68  and attr rmsd > 5.62  ) 
  6 6 0  peak  24002  volume  6.55100 ppm1  1.909  ppm2  5.650
assi (( attr rmsd < 4.645  and attr rmsd >  4.585  ) 
  and bondedto( attr rmsd <  62.735  and attr rmsd > 62.135  )) 
     ( attr rmsd < 8.13  and attr rmsd > 8.07  ) 
  6 6 0  peak  24022  volume  5.55370 ppm1  4.615  ppm2  8.100
assi (( attr rmsd < 2.654  and attr rmsd >  2.594  ) 
  and bondedto( attr rmsd <  39.077  and attr rmsd > 38.477  )) 
     ( attr rmsd < 6.87  and attr rmsd > 6.81  ) 
  6 6 0  peak  24062  volume  2.05020 ppm1  2.624  ppm2  6.840
assi (( attr rmsd < 1.683  and attr rmsd >  1.623  ) 
  and bondedto( attr rmsd <  19.362  and attr rmsd > 18.762  )) 
     ( attr rmsd < 0.399  and attr rmsd > 0.339  ) 
  6 6 0  peak  24072  volume  11.98960 ppm1  1.653  ppm2  0.369
assi (( attr rmsd < 1.69  and attr rmsd >  1.63  ) 
  and bondedto( attr rmsd <  19.362  and attr rmsd > 18.762  )) 
     ( attr rmsd < 0.706  and attr rmsd > 0.646  ) 
  6 6 0  peak  24082  volume  27.83560 ppm1  1.660  ppm2  0.676
assi (( attr rmsd < 1.694  and attr rmsd >  1.634  ) 
  and bondedto( attr rmsd <  19.362  and attr rmsd > 18.762  )) 
     ( attr rmsd < 1.896  and attr rmsd > 1.836  ) 
  6 6 0  peak  24092  volume  88.02690 ppm1  1.664  ppm2  1.866
assi (( attr rmsd < 2.545  and attr rmsd >  2.485  ) 
  and bondedto( attr rmsd <  36.859  and attr rmsd > 36.259  )) 
     ( attr rmsd < 5.089  and attr rmsd > 5.029  ) 
  6 6 0  peak  24102  volume  3.86550 ppm1  2.515  ppm2  5.059
assi (( attr rmsd < 2.374  and attr rmsd >  2.314  ) 
  and bondedto( attr rmsd <  35.873  and attr rmsd > 35.273  )) 
     ( attr rmsd < 1.639  and attr rmsd > 1.579  ) 
  6 6 0  peak  24112  volume  8.55880 ppm1  2.344  ppm2  1.609
assi (( attr rmsd < 2.378  and attr rmsd >  2.318  ) 
  and bondedto( attr rmsd <  35.873  and attr rmsd > 35.273  )) 
     ( attr rmsd < 7.339  and attr rmsd > 7.279  ) 
  6 6 0  peak  24122  volume  4.39780 ppm1  2.348  ppm2  7.309
assi (( attr rmsd < 0.933  and attr rmsd >  0.873  ) 
  and bondedto( attr rmsd <  15.173  and attr rmsd > 14.573  )) 
     ( attr rmsd < 5.144  and attr rmsd > 5.084  ) 
  6 6 0  peak  24132  volume  6.72890 ppm1  0.903  ppm2  5.114
assi (( attr rmsd < 0.933  and attr rmsd >  0.873  ) 
  and bondedto( attr rmsd <  15.173  and attr rmsd > 14.573  )) 
     ( attr rmsd < 1.126  and attr rmsd > 1.066  ) 
  6 6 0  peak  24142  volume  148.88460 ppm1  0.903  ppm2  1.096
assi (( attr rmsd < 1.443  and attr rmsd >  1.383  ) 
  and bondedto( attr rmsd <  28.973  and attr rmsd > 28.373  )) 
     ( attr rmsd < 4.165  and attr rmsd > 4.105  ) 
  6 6 0  peak  24192  volume  7.72510 ppm1  1.413  ppm2  4.135
assi (( attr rmsd < 4.818  and attr rmsd >  4.758  ) 
  and bondedto( attr rmsd <  56.574  and attr rmsd > 55.974  )) 
     ( attr rmsd < 4.979  and attr rmsd > 4.919  ) 
  6 6 0  peak  24202  volume  2.13160 ppm1  4.788  ppm2  4.949
assi (( attr rmsd < 2.048  and attr rmsd >  1.988  ) 
  and bondedto( attr rmsd <  27.741  and attr rmsd > 27.141  )) 
     ( attr rmsd < 2.461  and attr rmsd > 2.401  ) 
  6 6 0  peak  24212  volume  41.32640 ppm1  2.018  ppm2  2.431
assi (( attr rmsd < 2.746  and attr rmsd >  2.686  ) 
  and bondedto( attr rmsd <  41.295  and attr rmsd > 40.695  )) 
     ( attr rmsd < 4.478  and attr rmsd > 4.418  ) 
  6 6 0  peak  24222  volume  10.25390 ppm1  2.716  ppm2  4.448
assi (( attr rmsd < 1.747  and attr rmsd >  1.687  ) 
  and bondedto( attr rmsd <  39.077  and attr rmsd > 38.477  )) 
     ( attr rmsd < 5.398  and attr rmsd > 5.338  ) 
  6 6 0  peak  24242  volume  1.87330 ppm1  1.717  ppm2  5.368
assi (( attr rmsd < 1.742  and attr rmsd >  1.682  ) 
  and bondedto( attr rmsd <  39.077  and attr rmsd > 38.477  )) 
     ( attr rmsd < 4.495  and attr rmsd > 4.435  ) 
  6 6 0  peak  24252  volume  7.48440 ppm1  1.712  ppm2  4.465
assi (( attr rmsd < 0.995  and attr rmsd >  0.935  ) 
  and bondedto( attr rmsd <  22.319  and attr rmsd > 21.719  )) 
     ( attr rmsd < 1.121  and attr rmsd > 1.061  ) 
  6 6 0  peak  24262  volume  58.51830 ppm1  0.965  ppm2  1.091
assi (( attr rmsd < 2.14  and attr rmsd >  2.08  ) 
  and bondedto( attr rmsd <  18.13  and attr rmsd > 17.53  )) 
     ( attr rmsd < 3.105  and attr rmsd > 3.045  ) 
  6 6 0  peak  24272  volume  7.00220 ppm1  2.110  ppm2  3.075
assi (( attr rmsd < 3.288  and attr rmsd >  3.228  ) 
  and bondedto( attr rmsd <  68.157  and attr rmsd > 67.557  )) 
     ( attr rmsd < 0.805  and attr rmsd > 0.745  ) 
  6 6 0  peak  24302  volume  4.40670 ppm1  3.258  ppm2  0.775
assi (( attr rmsd < 5.509  and attr rmsd >  5.449  ) 
  and bondedto( attr rmsd <  57.806  and attr rmsd > 57.206  )) 
     ( attr rmsd < 0.81  and attr rmsd > 0.75  ) 
  6 6 0  peak  24322  volume  3.14180 ppm1  5.479  ppm2  0.780
assi (( attr rmsd < 5.504  and attr rmsd >  5.444  ) 
  and bondedto( attr rmsd <  57.806  and attr rmsd > 57.206  )) 
     ( attr rmsd < 3.219  and attr rmsd > 3.159  ) 
  6 6 0  peak  24332  volume  4.85050 ppm1  5.474  ppm2  3.189
assi (( attr rmsd < 2.445  and attr rmsd >  2.385  ) 
  and bondedto( attr rmsd <  34.148  and attr rmsd > 33.548  )) 
     ( attr rmsd < 3.997  and attr rmsd > 3.937  ) 
  6 6 0  peak  24342  volume  11.51480 ppm1  2.415  ppm2  3.967
assi (( attr rmsd < 1.441  and attr rmsd >  1.381  ) 
  and bondedto( attr rmsd <  25.277  and attr rmsd > 24.677  )) 
     ( attr rmsd < 1.687  and attr rmsd > 1.627  ) 
  6 6 0  peak  24352  volume  100.59530 ppm1  1.411  ppm2  1.657
assi (( attr rmsd < 2.928  and attr rmsd >  2.868  ) 
  and bondedto( attr rmsd <  41.788  and attr rmsd > 41.188  )) 
     ( attr rmsd < 0.999  and attr rmsd > 0.939  ) 
  6 6 0  peak  24422  volume  13.25970 ppm1  2.898  ppm2  0.969
assi (( attr rmsd < 2  and attr rmsd >  1.94  ) 
  and bondedto( attr rmsd <  28.234  and attr rmsd > 27.634  )) 
     ( attr rmsd < 0.883  and attr rmsd > 0.823  ) 
  6 6 0  peak  24482  volume  3.55220 ppm1  1.970  ppm2  0.853
assi (( attr rmsd < 0.589  and attr rmsd >  0.529  ) 
  and bondedto( attr rmsd <  22.319  and attr rmsd > 21.719  )) 
     ( attr rmsd < 7.253  and attr rmsd > 7.193  ) 
  6 6 0  peak  24532  volume  9.84680 ppm1  0.559  ppm2  7.223
assi (( attr rmsd < 0.592  and attr rmsd >  0.532  ) 
  and bondedto( attr rmsd <  22.319  and attr rmsd > 21.719  )) 
     ( attr rmsd < 7.033  and attr rmsd > 6.973  ) 
  6 6 0  peak  24542  volume  8.24590 ppm1  0.562  ppm2  7.003
assi (( attr rmsd < 0.598  and attr rmsd >  0.538  ) 
  and bondedto( attr rmsd <  22.319  and attr rmsd > 21.719  )) 
     ( attr rmsd < 5.155  and attr rmsd > 5.095  ) 
  6 6 0  peak  24552  volume  7.24350 ppm1  0.568  ppm2  5.125
assi (( attr rmsd < 2.932  and attr rmsd >  2.872  ) 
  and bondedto( attr rmsd <  41.788  and attr rmsd > 41.188  )) 
     ( attr rmsd < 6.944  and attr rmsd > 6.884  ) 
  6 6 0  peak  24572  volume  20.28280 ppm1  2.902  ppm2  6.914
assi (( attr rmsd < 0.593  and attr rmsd >  0.533  ) 
  and bondedto( attr rmsd <  22.319  and attr rmsd > 21.719  )) 
     ( attr rmsd < 4.449  and attr rmsd > 4.389  ) 
  6 6 0  peak  24602  volume  6.50770 ppm1  0.563  ppm2  4.419
assi (( attr rmsd < 4.008  and attr rmsd >  3.948  ) 
  and bondedto( attr rmsd <  45.977  and attr rmsd > 45.377  )) 
     ( attr rmsd < 1.716  and attr rmsd > 1.656  ) 
  6 6 0  peak  24702  volume  3.23360 ppm1  3.978  ppm2  1.686
assi (( attr rmsd < 1.125  and attr rmsd >  1.065  ) 
  and bondedto( attr rmsd <  21.334  and attr rmsd > 20.734  )) 
     ( attr rmsd < 3.675  and attr rmsd > 3.615  ) 
  6 6 0  peak  24722  volume  4.48640 ppm1  1.095  ppm2  3.645
assi (( attr rmsd < 2.778  and attr rmsd >  2.718  ) 
  and bondedto( attr rmsd <  40.802  and attr rmsd > 40.202  )) 
     ( attr rmsd < 4.799  and attr rmsd > 4.739  ) 
  6 6 0  peak  24752  volume  16.09830 ppm1  2.748  ppm2  4.769
assi (( attr rmsd < 2.879  and attr rmsd >  2.819  ) 
  and bondedto( attr rmsd <  40.802  and attr rmsd > 40.202  )) 
     ( attr rmsd < 4.8  and attr rmsd > 4.74  ) 
  6 6 0  peak  24762  volume  19.56230 ppm1  2.849  ppm2  4.770
assi (( attr rmsd < 2.77  and attr rmsd >  2.71  ) 
  and bondedto( attr rmsd <  40.802  and attr rmsd > 40.202  )) 
     ( attr rmsd < 4.591  and attr rmsd > 4.531  ) 
  6 6 0  peak  24772  volume  7.25080 ppm1  2.740  ppm2  4.561
assi (( attr rmsd < 2.881  and attr rmsd >  2.821  ) 
  and bondedto( attr rmsd <  40.802  and attr rmsd > 40.202  )) 
     ( attr rmsd < 4.589  and attr rmsd > 4.529  ) 
  6 6 0  peak  24782  volume  11.67920 ppm1  2.851  ppm2  4.559
assi (( attr rmsd < 4.931  and attr rmsd >  4.871  ) 
  and bondedto( attr rmsd <  58.546  and attr rmsd > 57.946  )) 
     ( attr rmsd < 2.812  and attr rmsd > 2.752  ) 
  6 6 0  peak  24792  volume  6.80170 ppm1  4.901  ppm2  2.782
assi (( attr rmsd < 1.576  and attr rmsd >  1.516  ) 
  and bondedto( attr rmsd <  20.841  and attr rmsd > 20.241  )) 
     ( attr rmsd < 1.887  and attr rmsd > 1.827  ) 
  6 6 0  peak  24802  volume  27.48700 ppm1  1.546  ppm2  1.857
assi (( attr rmsd < 4.785  and attr rmsd >  4.725  ) 
  and bondedto( attr rmsd <  53.124  and attr rmsd > 52.524  )) 
     ( attr rmsd < 5.016  and attr rmsd > 4.956  ) 
  6 6 0  peak  24812  volume  5.17460 ppm1  4.755  ppm2  4.986
assi (( attr rmsd < 0.576  and attr rmsd >  0.516  ) 
  and bondedto( attr rmsd <  23.552  and attr rmsd > 22.952  )) 
     ( attr rmsd < 2.697  and attr rmsd > 2.637  ) 
  6 6 0  peak  24822  volume  2.20590 ppm1  0.546  ppm2  2.667
assi (( attr rmsd < 1.642  and attr rmsd >  1.582  ) 
  and bondedto( attr rmsd <  28.48  and attr rmsd > 27.88  )) 
     ( attr rmsd < 0.548  and attr rmsd > 0.488  ) 
  6 6 0  peak  24842  volume  25.42930 ppm1  1.612  ppm2  0.518
assi (( attr rmsd < 0.805  and attr rmsd >  0.745  ) 
  and bondedto( attr rmsd <  17.637  and attr rmsd > 17.037  )) 
     ( attr rmsd < 1.463  and attr rmsd > 1.403  ) 
  6 6 0  peak  24862  volume  4.43950 ppm1  0.775  ppm2  1.433
assi (( attr rmsd < 0.287  and attr rmsd >  0.227  ) 
  and bondedto( attr rmsd <  13.201  and attr rmsd > 12.601  )) 
     ( attr rmsd < 5.367  and attr rmsd > 5.307  ) 
  6 6 0  peak  24872  volume  8.41380 ppm1  0.257  ppm2  5.337
assi (( attr rmsd < 1.049  and attr rmsd >  0.989  ) 
  and bondedto( attr rmsd <  27.495  and attr rmsd > 26.895  )) 
     ( attr rmsd < 1.51  and attr rmsd > 1.45  ) 
  6 6 0  peak  24882  volume  6.67020 ppm1  1.019  ppm2  1.480
assi (( attr rmsd < 0.131  and attr rmsd >  0.071  ) 
  and bondedto( attr rmsd <  24.537  and attr rmsd > 23.937  )) 
     ( attr rmsd < 1.23  and attr rmsd > 1.17  ) 
  6 6 0  peak  24902  volume  6.55160 ppm1  0.101  ppm2  1.200
assi (( attr rmsd < 0.135  and attr rmsd >  0.075  ) 
  and bondedto( attr rmsd <  24.537  and attr rmsd > 23.937  )) 
     ( attr rmsd < 0.995  and attr rmsd > 0.935  ) 
  6 6 0  peak  24912  volume  5.33090 ppm1  0.105  ppm2  0.965
assi (( attr rmsd < 0.136  and attr rmsd >  0.076  ) 
  and bondedto( attr rmsd <  24.537  and attr rmsd > 23.937  )) 
     ( attr rmsd < 5.66  and attr rmsd > 5.6  ) 
  6 6 0  peak  24942  volume  6.82700 ppm1  0.106  ppm2  5.630
assi (( attr rmsd < 0.807  and attr rmsd >  0.747  ) 
  and bondedto( attr rmsd <  43.759  and attr rmsd > 43.159  )) 
     ( attr rmsd < 3.114  and attr rmsd > 3.054  ) 
  6 6 0  peak  24952  volume  1.88410 ppm1  0.777  ppm2  3.084
assi (( attr rmsd < 3.56  and attr rmsd >  3.5  ) 
  and bondedto( attr rmsd <  55.835  and attr rmsd > 55.235  )) 
     ( attr rmsd < 3.318  and attr rmsd > 3.258  ) 
  6 6 0  peak  24962  volume  4.20850 ppm1  3.530  ppm2  3.288
assi (( attr rmsd < 2.414  and attr rmsd >  2.354  ) 
  and bondedto( attr rmsd <  40.556  and attr rmsd > 39.956  )) 
     ( attr rmsd < 4.989  and attr rmsd > 4.929  ) 
  6 6 0  peak  24972  volume  5.18710 ppm1  2.384  ppm2  4.959
assi (( attr rmsd < 1.583  and attr rmsd >  1.523  ) 
  and bondedto( attr rmsd <  34.888  and attr rmsd > 34.288  )) 
     ( attr rmsd < 3.332  and attr rmsd > 3.272  ) 
  6 6 0  peak  24982  volume  2.69120 ppm1  1.553  ppm2  3.302
assi (( attr rmsd < 2.288  and attr rmsd >  2.228  ) 
  and bondedto( attr rmsd <  34.641  and attr rmsd > 34.041  )) 
     ( attr rmsd < -0.331  and attr rmsd > -0.391  ) 
  6 6 0  peak  25002  volume  4.44140 ppm1  2.258  ppm2  -0.361
assi (( attr rmsd < 2.582  and attr rmsd >  2.522  ) 
  and bondedto( attr rmsd <  34.641  and attr rmsd > 34.041  )) 
     ( attr rmsd < -0.322  and attr rmsd > -0.382  ) 
  6 6 0  peak  25012  volume  1.51770 ppm1  2.552  ppm2  -0.352
assi (( attr rmsd < 2.597  and attr rmsd >  2.537  ) 
  and bondedto( attr rmsd <  34.641  and attr rmsd > 34.041  )) 
     ( attr rmsd < 5.016  and attr rmsd > 4.956  ) 
  6 6 0  peak  25022  volume  4.46370 ppm1  2.567  ppm2  4.986
assi (( attr rmsd < 2.367  and attr rmsd >  2.307  ) 
  and bondedto( attr rmsd <  34.395  and attr rmsd > 33.795  )) 
     ( attr rmsd < 6.893  and attr rmsd > 6.833  ) 
  6 6 0  peak  25042  volume  7.53050 ppm1  2.337  ppm2  6.863
assi (( attr rmsd < 2.396  and attr rmsd >  2.336  ) 
  and bondedto( attr rmsd <  34.395  and attr rmsd > 33.795  )) 
     ( attr rmsd < 0.399  and attr rmsd > 0.339  ) 
  6 6 0  peak  25052  volume  4.22140 ppm1  2.366  ppm2  0.369
assi (( attr rmsd < 0.734  and attr rmsd >  0.674  ) 
  and bondedto( attr rmsd <  21.087  and attr rmsd > 20.487  )) 
     ( attr rmsd < 7.229  and attr rmsd > 7.169  ) 
  6 6 0  peak  25062  volume  1.09870 ppm1  0.704  ppm2  7.199
assi (( attr rmsd < 1.475  and attr rmsd >  1.415  ) 
  and bondedto( attr rmsd <  27.741  and attr rmsd > 27.141  )) 
     ( attr rmsd < 7.25  and attr rmsd > 7.19  ) 
  6 6 0  peak  25072  volume  4.02610 ppm1  1.445  ppm2  7.220
assi (( attr rmsd < 0.125  and attr rmsd >  0.065  ) 
  and bondedto( attr rmsd <  24.537  and attr rmsd > 23.937  )) 
     ( attr rmsd < 7.623  and attr rmsd > 7.563  ) 
  6 6 0  peak  25082  volume  3.42330 ppm1  0.095  ppm2  7.593
assi (( attr rmsd < 2.877  and attr rmsd >  2.817  ) 
  and bondedto( attr rmsd <  39.57  and attr rmsd > 38.97  )) 
     ( attr rmsd < 5.579  and attr rmsd > 5.519  ) 
  6 6 0  peak  25092  volume  3.49070 ppm1  2.847  ppm2  5.549
assi (( attr rmsd < 3.576  and attr rmsd >  3.516  ) 
  and bondedto( attr rmsd <  45.484  and attr rmsd > 44.884  )) 
     ( attr rmsd < 4.538  and attr rmsd > 4.478  ) 
  6 6 0  peak  25102  volume  4.00740 ppm1  3.546  ppm2  4.508
assi (( attr rmsd < 3.072  and attr rmsd >  3.012  ) 
  and bondedto( attr rmsd <  43.513  and attr rmsd > 42.913  )) 
     ( attr rmsd < 2.534  and attr rmsd > 2.474  ) 
  6 6 0  peak  25112  volume  23.35080 ppm1  3.042  ppm2  2.504
assi (( attr rmsd < 2.026  and attr rmsd >  1.966  ) 
  and bondedto( attr rmsd <  41.295  and attr rmsd > 40.695  )) 
     ( attr rmsd < 0.117  and attr rmsd > 0.057  ) 
  6 6 0  peak  25152  volume  2.34700 ppm1  1.996  ppm2  0.087
assi (( attr rmsd < 4.865  and attr rmsd >  4.805  ) 
  and bondedto( attr rmsd <  53.124  and attr rmsd > 52.524  )) 
     ( attr rmsd < 0.124  and attr rmsd > 0.064  ) 
  6 6 0  peak  25162  volume  2.75450 ppm1  4.835  ppm2  0.094
assi (( attr rmsd < 2.016  and attr rmsd >  1.956  ) 
  and bondedto( attr rmsd <  41.295  and attr rmsd > 40.695  )) 
     ( attr rmsd < -0.317  and attr rmsd > -0.377  ) 
  6 6 0  peak  25172  volume  2.14560 ppm1  1.986  ppm2  -0.347
assi (( attr rmsd < 2.003  and attr rmsd >  1.943  ) 
  and bondedto( attr rmsd <  41.295  and attr rmsd > 40.695  )) 
     ( attr rmsd < 0.766  and attr rmsd > 0.706  ) 
  6 6 0  peak  25182  volume  3.83090 ppm1  1.973  ppm2  0.736
assi (( attr rmsd < 5.008  and attr rmsd >  4.948  ) 
  and bondedto( attr rmsd <  56.82  and attr rmsd > 56.22  )) 
     ( attr rmsd < 0.104  and attr rmsd > 0.044  ) 
  6 6 0  peak  25202  volume  8.13070 ppm1  4.978  ppm2  0.074
assi (( attr rmsd < 3.866  and attr rmsd >  3.806  ) 
  and bondedto( attr rmsd <  49.92  and attr rmsd > 49.32  )) 
     ( attr rmsd < 6.9  and attr rmsd > 6.84  ) 
  6 6 0  peak  25222  volume  3.02530 ppm1  3.836  ppm2  6.870
assi (( attr rmsd < 2.876  and attr rmsd >  2.816  ) 
  and bondedto( attr rmsd <  40.802  and attr rmsd > 40.202  )) 
     ( attr rmsd < 0.984  and attr rmsd > 0.924  ) 
  6 6 0  peak  25232  volume  6.28820 ppm1  2.846  ppm2  0.954
assi (( attr rmsd < 2.547  and attr rmsd >  2.487  ) 
  and bondedto( attr rmsd <  32.423  and attr rmsd > 31.823  )) 
     ( attr rmsd < 2.969  and attr rmsd > 2.909  ) 
  6 6 0  peak  25242  volume  5.75250 ppm1  2.517  ppm2  2.939
assi (( attr rmsd < 2.549  and attr rmsd >  2.489  ) 
  and bondedto( attr rmsd <  32.423  and attr rmsd > 31.823  )) 
     ( attr rmsd < 3.108  and attr rmsd > 3.048  ) 
  6 6 0  peak  25252  volume  3.08940 ppm1  2.519  ppm2  3.078
assi (( attr rmsd < 3.315  and attr rmsd >  3.255  ) 
  and bondedto( attr rmsd <  43.513  and attr rmsd > 42.913  )) 
     ( attr rmsd < 2.996  and attr rmsd > 2.936  ) 
  6 6 0  peak  25332  volume  12.94210 ppm1  3.285  ppm2  2.966
assi (( attr rmsd < 0.957  and attr rmsd >  0.897  ) 
  and bondedto( attr rmsd <  23.798  and attr rmsd > 23.198  )) 
     ( attr rmsd < 4.721  and attr rmsd > 4.661  ) 
  6 6 0  peak  25342  volume  15.85080 ppm1  0.927  ppm2  4.691
assi (( attr rmsd < 4.485  and attr rmsd >  4.425  ) 
  and bondedto( attr rmsd <  56.081  and attr rmsd > 55.481  )) 
     ( attr rmsd < 3.995  and attr rmsd > 3.935  ) 
  6 6 0  peak  25352  volume  20.37090 ppm1  4.455  ppm2  3.965
assi (( attr rmsd < 3.997  and attr rmsd >  3.937  ) 
  and bondedto( attr rmsd <  55.095  and attr rmsd > 54.495  )) 
     ( attr rmsd < 4.485  and attr rmsd > 4.425  ) 
  6 6 0  peak  25362  volume  21.58810 ppm1  3.967  ppm2  4.455
assi (( attr rmsd < 3.982  and attr rmsd >  3.922  ) 
  and bondedto( attr rmsd <  55.095  and attr rmsd > 54.495  )) 
     ( attr rmsd < 2.455  and attr rmsd > 2.395  ) 
  6 6 0  peak  25372  volume  7.04140 ppm1  3.952  ppm2  2.425
assi (( attr rmsd < 3.994  and attr rmsd >  3.934  ) 
  and bondedto( attr rmsd <  55.095  and attr rmsd > 54.495  )) 
     ( attr rmsd < 1.287  and attr rmsd > 1.227  ) 
  6 6 0  peak  25382  volume  10.32480 ppm1  3.964  ppm2  1.257
assi (( attr rmsd < 4.001  and attr rmsd >  3.941  ) 
  and bondedto( attr rmsd <  55.095  and attr rmsd > 54.495  )) 
     ( attr rmsd < 1.492  and attr rmsd > 1.432  ) 
  6 6 0  peak  25392  volume  14.09110 ppm1  3.971  ppm2  1.462
assi (( attr rmsd < 4.007  and attr rmsd >  3.947  ) 
  and bondedto( attr rmsd <  55.095  and attr rmsd > 54.495  )) 
     ( attr rmsd < 0.774  and attr rmsd > 0.714  ) 
  6 6 0  peak  25402  volume  5.67550 ppm1  3.977  ppm2  0.744
assi (( attr rmsd < 1.28  and attr rmsd >  1.22  ) 
  and bondedto( attr rmsd <  30.205  and attr rmsd > 29.605  )) 
     ( attr rmsd < 4  and attr rmsd > 3.94  ) 
  6 6 0  peak  25412  volume  5.47880 ppm1  1.250  ppm2  3.970
assi (( attr rmsd < 1.511  and attr rmsd >  1.451  ) 
  and bondedto( attr rmsd <  30.205  and attr rmsd > 29.605  )) 
     ( attr rmsd < 3.997  and attr rmsd > 3.937  ) 
  6 6 0  peak  25422  volume  2.95410 ppm1  1.481  ppm2  3.967
assi (( attr rmsd < 1.52  and attr rmsd >  1.46  ) 
  and bondedto( attr rmsd <  30.205  and attr rmsd > 29.605  )) 
     ( attr rmsd < 4.474  and attr rmsd > 4.414  ) 
  6 6 0  peak  25432  volume  4.28860 ppm1  1.490  ppm2  4.444
assi (( attr rmsd < 1.281  and attr rmsd >  1.221  ) 
  and bondedto( attr rmsd <  30.205  and attr rmsd > 29.605  )) 
     ( attr rmsd < 2.451  and attr rmsd > 2.391  ) 
  6 6 0  peak  25442  volume  13.38050 ppm1  1.251  ppm2  2.421
assi (( attr rmsd < 1.487  and attr rmsd >  1.427  ) 
  and bondedto( attr rmsd <  30.205  and attr rmsd > 29.605  )) 
     ( attr rmsd < 2.453  and attr rmsd > 2.393  ) 
  6 6 0  peak  25452  volume  11.80780 ppm1  1.457  ppm2  2.423
assi (( attr rmsd < 1.283  and attr rmsd >  1.223  ) 
  and bondedto( attr rmsd <  30.205  and attr rmsd > 29.605  )) 
     ( attr rmsd < 0.798  and attr rmsd > 0.738  ) 
  6 6 0  peak  25462  volume  5.31020 ppm1  1.253  ppm2  0.768
assi (( attr rmsd < 1.496  and attr rmsd >  1.436  ) 
  and bondedto( attr rmsd <  30.205  and attr rmsd > 29.605  )) 
     ( attr rmsd < 0.786  and attr rmsd > 0.726  ) 
  6 6 0  peak  25472  volume  5.26860 ppm1  1.466  ppm2  0.756
assi (( attr rmsd < 1.278  and attr rmsd >  1.218  ) 
  and bondedto( attr rmsd <  30.205  and attr rmsd > 29.605  )) 
     ( attr rmsd < 2.24  and attr rmsd > 2.18  ) 
  6 6 0  peak  25482  volume  22.21960 ppm1  1.248  ppm2  2.210
assi (( attr rmsd < 1.492  and attr rmsd >  1.432  ) 
  and bondedto( attr rmsd <  30.205  and attr rmsd > 29.605  )) 
     ( attr rmsd < 2.241  and attr rmsd > 2.181  ) 
  6 6 0  peak  25492  volume  25.42030 ppm1  1.462  ppm2  2.211
assi (( attr rmsd < 1.492  and attr rmsd >  1.432  ) 
  and bondedto( attr rmsd <  30.205  and attr rmsd > 29.605  )) 
     ( attr rmsd < 2.079  and attr rmsd > 2.019  ) 
  6 6 0  peak  25502  volume  21.94760 ppm1  1.462  ppm2  2.049
assi (( attr rmsd < 1.281  and attr rmsd >  1.221  ) 
  and bondedto( attr rmsd <  30.205  and attr rmsd > 29.605  )) 
     ( attr rmsd < 2.079  and attr rmsd > 2.019  ) 
  6 6 0  peak  25512  volume  24.14620 ppm1  1.251  ppm2  2.049
assi (( attr rmsd < 2.245  and attr rmsd >  2.185  ) 
  and bondedto( attr rmsd <  30.205  and attr rmsd > 29.605  )) 
     ( attr rmsd < 1.284  and attr rmsd > 1.224  ) 
  6 6 0  peak  25522  volume  27.12030 ppm1  2.215  ppm2  1.254
assi (( attr rmsd < 2.241  and attr rmsd >  2.181  ) 
  and bondedto( attr rmsd <  30.205  and attr rmsd > 29.605  )) 
     ( attr rmsd < 1.492  and attr rmsd > 1.432  ) 
  6 6 0  peak  25532  volume  28.09890 ppm1  2.211  ppm2  1.462
assi (( attr rmsd < 2.073  and attr rmsd >  2.013  ) 
  and bondedto( attr rmsd <  30.205  and attr rmsd > 29.605  )) 
     ( attr rmsd < 1.285  and attr rmsd > 1.225  ) 
  6 6 0  peak  25542  volume  29.84510 ppm1  2.043  ppm2  1.255
assi (( attr rmsd < 2.069  and attr rmsd >  2.009  ) 
  and bondedto( attr rmsd <  30.205  and attr rmsd > 29.605  )) 
     ( attr rmsd < 1.492  and attr rmsd > 1.432  ) 
  6 6 0  peak  25552  volume  29.87780 ppm1  2.039  ppm2  1.462
assi (( attr rmsd < 2.451  and attr rmsd >  2.391  ) 
  and bondedto( attr rmsd <  34.148  and attr rmsd > 33.548  )) 
     ( attr rmsd < 0.792  and attr rmsd > 0.732  ) 
  6 6 0  peak  25562  volume  33.08550 ppm1  2.421  ppm2  0.762
assi (( attr rmsd < 1.767  and attr rmsd >  1.707  ) 
  and bondedto( attr rmsd <  42.774  and attr rmsd > 42.174  )) 
     ( attr rmsd < 0.393  and attr rmsd > 0.333  ) 
  6 6 0  peak  25592  volume  1.02200 ppm1  1.737  ppm2  0.363
assi (( attr rmsd < 4.651  and attr rmsd >  4.591  ) 
  and bondedto( attr rmsd <  63.721  and attr rmsd > 63.121  )) 
     ( attr rmsd < 1.141  and attr rmsd > 1.081  ) 
  6 6 0  peak  25602  volume  5.52810 ppm1  4.621  ppm2  1.111
assi (( attr rmsd < 4.247  and attr rmsd >  4.187  ) 
  and bondedto( attr rmsd <  58.053  and attr rmsd > 57.453  )) 
     ( attr rmsd < 1.682  and attr rmsd > 1.622  ) 
  6 6 0  peak  25612  volume  21.43130 ppm1  4.217  ppm2  1.652
assi (( attr rmsd < 4.245  and attr rmsd >  4.185  ) 
  and bondedto( attr rmsd <  58.053  and attr rmsd > 57.453  )) 
     ( attr rmsd < 1.46  and attr rmsd > 1.4  ) 
  6 6 0  peak  25622  volume  7.80240 ppm1  4.215  ppm2  1.430
assi (( attr rmsd < 4.249  and attr rmsd >  4.189  ) 
  and bondedto( attr rmsd <  58.053  and attr rmsd > 57.453  )) 
     ( attr rmsd < 2.087  and attr rmsd > 2.027  ) 
  6 6 0  peak  25632  volume  5.84340 ppm1  4.219  ppm2  2.057
assi (( attr rmsd < 0.944  and attr rmsd >  0.884  ) 
  and bondedto( attr rmsd <  24.044  and attr rmsd > 23.444  )) 
     ( attr rmsd < 2.045  and attr rmsd > 1.985  ) 
  6 6 0  peak  25672  volume  7.94010 ppm1  0.914  ppm2  2.015
assi (( attr rmsd < 1.922  and attr rmsd >  1.862  ) 
  and bondedto( attr rmsd <  29.712  and attr rmsd > 29.112  )) 
     ( attr rmsd < 4.438  and attr rmsd > 4.378  ) 
  6 6 0  peak  25692  volume  11.08150 ppm1  1.892  ppm2  4.408
!
!
!The last digit in peak ID is the spectrum number

ASSI {  4504}
  (( segid "SEGA" and resid 43  and name HE3  ))
  (( segid "SEGB" and resid 47  and name HD1#  ))
     6 6 0 peak 4504 weight  0.1000E+01 volume 50.34360 ppm1 7.010 ppm2 1.426
ASSI {  4564}
  (( segid "SEGA" and resid 47  and name HD2#  ))
  (( segid "SEGB" and resid 47  and name HD1#  ))
     6 6 0 peak 4564 weight  0.1000E+01 volume 21.03760 ppm1 0.882 ppm2 1.426
ASSI {  4594}
  (( segid "SEGA" and resid 46  and name HB#  ))
  (( segid "SEGB" and resid 47  and name HD1#  ))
     6 6 0 peak 4594 weight  0.1000E+01 volume 4.45600 ppm1 0.051 ppm2 1.426
ASSI {  4644}
  (( segid "SEGA" and resid 36  and name HD1#  ))
  (( segid "SEGB" and resid 36  and name HG12  ))
     6 6 0 peak 4644 weight  0.1000E+01 volume 4.06930 ppm1 0.339 ppm2 1.018
ASSI {  4774}
  (( segid "SEGA" and resid 16  and name HD1  ))
  (( segid "SEGB" and resid 34  and name HD2#  ))
     6 6 0 peak 4774 weight  0.1000E+01 volume 3.73950 ppm1 6.974 ppm2 0.368
ASSI {  5124}
  (( segid "SEGA" and resid 43  and name HE3  ))
  (( segid "SEGB" and resid 47  and name HD2#  ))
     6 6 0 peak 5124 weight  0.1000E+01 volume 20.92530 ppm1 7.012 ppm2 0.877
ASSI {  6034}
  (( segid "SEGA" and resid 60  and name HE#  ))
  (( segid "SEGB" and resid 51  and name HD1#  ))
     6 6 0 peak 6034 weight  0.1000E+01 volume 5.25000 ppm1 1.807 ppm2 -0.384
ASSI {  6104}
  (( segid "SEGA" and resid 62  and name HA  ))
  (( segid "SEGB" and resid 62  and name HD2#  ))
     6 6 0 peak 6104 weight  0.1000E+01 volume 11.89470 ppm1 4.468 ppm2 0.693
ASSI {  6154}
  (( segid "SEGA" and resid 62  and name HB1  ))
  (( segid "SEGB" and resid 62  and name HD2#  ))
     6 6 0 peak 6154 weight  0.1000E+01 volume 24.35000 ppm1 1.804 ppm2 0.693
ASSI {  6174}
  (( segid "SEGA" and resid 66  and name HB#  ))
  (( segid "SEGB" and resid 62  and name HD2#  ))
     6 6 0 peak 6174 weight  0.1000E+01 volume 18.61920 ppm1 1.659 ppm2 0.693
ASSI {  6454}
  (( segid "SEGA" and resid 60  and name HB2  ))
  (( segid "SEGB" and resid 60  and name HE#  ))
     6 6 0 peak 6454 weight  0.1000E+01 volume 7.22240 ppm1 2.248 ppm2 1.792
ASSI {  6474}
  (( segid "SEGA" and resid 62  and name HD1#  ))
  (( segid "SEGB" and resid 66  and name HB#  ))
     6 6 0 peak 6474 weight  0.1000E+01 volume 12.81420 ppm1 0.720 ppm2 1.650
ASSI {  6484}
  (( segid "SEGA" and resid 62  and name HD2#  ))
  (( segid "SEGB" and resid 60  and name HE#  ))
     6 6 0 peak 6484 weight  0.1000E+01 volume 23.45900 ppm1 0.703 ppm2 1.792
ASSI {  6494}
  (( segid "SEGA" and resid 36  and name HD1#  ))
  (( segid "SEGB" and resid 60  and name HE#  ))
     6 6 0 peak 6494 weight  0.1000E+01 volume 63.17570 ppm1 0.333 ppm2 1.792
ASSI {  6654}
  (( segid "SEGA" and resid 43  and name HD1  ))
  (( segid "SEGB" and resid 46  and name HB#  ))
     6 6 0 peak 6654 weight  0.1000E+01 volume 12.16480 ppm1 8.266 ppm2 0.042
ASSI {  6724}
  (( segid "SEGA" and resid 43  and name HA  ))
  (( segid "SEGB" and resid 46  and name HB#  ))
     6 6 0 peak 6724 weight  0.1000E+01 volume 60.80310 ppm1 4.995 ppm2 0.043
ASSI {  6794}
  (( segid "SEGA" and resid 46  and name HA  ))
  (( segid "SEGB" and resid 46  and name HB#  ))
     6 6 0 peak 6794 weight  0.1000E+01 volume 4.03040 ppm1 3.553 ppm2 0.042
ASSI {  6804}
  (( segid "SEGA" and resid 46  and name HB#  ))
  (( segid "SEGB" and resid 46  and name HB#  ))
     6 6 0 peak 6804 weight  0.1000E+01 volume 42.03040 ppm1 3.553 ppm2 0.042
ASSI {  6814}
  (( segid "SEGA" and resid 42  and name HB1  ))
  (( segid "SEGB" and resid 46  and name HB#  ))
     6 6 0 peak 6814 weight  0.1000E+01 volume 3.32500 ppm1 2.505 ppm2 0.042
ASSI {  6824}
  (( segid "SEGA" and resid 42  and name HB2  ))
  (( segid "SEGB" and resid 46  and name HB#  ))
     6 6 0 peak 6824 weight  0.1000E+01 volume 3.13560 ppm1 2.357 ppm2 0.042
ASSI {  6834}
  (( segid "SEGA" and resid 38  and name HB1  ))
  (( segid "SEGB" and resid 46  and name HB#  ))
     6 6 0 peak 6834 weight  0.1000E+01 volume 2.05600 ppm1 2.053 ppm2 0.042
ASSI {  6884}
  (( segid "SEGA" and resid 47  and name HD1#  ))
  (( segid "SEGB" and resid 46  and name HB#  ))
     6 6 0 peak 6884 weight  0.1000E+01 volume 8.73670 ppm1 1.437 ppm2 0.042
ASSI {  7054}
  (( segid "SEGA" and resid 50  and name HE1  ))
  (( segid "SEGB" and resid 36  and name HG2#  ))
     6 6 0 peak 7054 weight  0.1000E+01 volume 8.97790 ppm1 6.921 ppm2 0.938
ASSI {  7084}
  (( segid "SEGA" and resid 47  and name HD1#  ))
  (( segid "SEGB" and resid 36  and name HG2#  ))
     6 6 0 peak 7084 weight  0.1000E+01 volume 4.91840 ppm1 1.430 ppm2 0.938
ASSI {  7114}
  (( segid "SEGA" and resid 46  and name HB#  ))
  (( segid "SEGB" and resid 36  and name HG2#  ))
     6 6 0 peak 7114 weight  0.1000E+01 volume 2.19550 ppm1 0.039 ppm2 0.938
ASSI {  7764}
  (( segid "SEGA" and resid 50  and name HE1  ))
  (( segid "SEGB" and resid 36  and name HD1#  ))
     6 6 0 peak 7764 weight  0.1000E+01 volume 14.63500 ppm1 6.925 ppm2 0.327
ASSI {  7774}
  (( segid "SEGA" and resid 36  and name HB  ))
  (( segid "SEGB" and resid 36  and name HD1#  ))
     6 6 0 peak 7774 weight  0.1000E+01 volume 19.68690 ppm1 1.804 ppm2 0.327
ASSI {  7804}
  (( segid "SEGA" and resid 62  and name HD1#  ))
  (( segid "SEGB" and resid 36  and name HD1#  ))
     6 6 0 peak 7804 weight  0.1000E+01 volume 14.80040 ppm1 0.720 ppm2 0.327
ASSI {  9364}
  (( segid "SEGA" and resid 60  and name HB1  ))
  (( segid "SEGB" and resid 60  and name HE#  ))
     6 6 0 peak 9364 weight  0.1000E+01 volume 5.73910 ppm1 2.550 ppm2 1.792
ASSI {  9394}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGB" and resid 60  and name HE#  ))
     6 6 0 peak 9394 weight  0.1000E+01 volume 1.74630 ppm1 -0.376 ppm2 1.792
ASSI {  9484}
  (( segid "SEGA" and resid 50  and name HD1  ))
  (( segid "SEGB" and resid 36  and name HG2#  ))
     6 6 0 peak 9484 weight  0.1000E+01 volume 0.88030 ppm1 7.195 ppm2 0.938
ASSI {  9494}
  (( segid "SEGA" and resid 46  and name HA  ))
  (( segid "SEGB" and resid 36  and name HG2#  ))
     6 6 0 peak 9494 weight  0.1000E+01 volume 1.09090 ppm1 3.549 ppm2 0.938
ASSI {  9504}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGB" and resid 36  and name HG2#  ))
     6 6 0 peak 9504 weight  0.1000E+01 volume 0.81700 ppm1 -0.377 ppm2 0.938
ASSI {  9524}
  (( segid "SEGA" and resid 50  and name HD1  ))
  (( segid "SEGB" and resid 36  and name HD1#  ))
     6 6 0 peak 9524 weight  0.1000E+01 volume 21.84130 ppm1 7.190 ppm2 0.327
ASSI { 10044}
  (( segid "SEGA" and resid 16  and name HD1  ))
  (( segid "SEGB" and resid 34  and name HD1#  ))
     6 6 0 peak 10044 weight  0.1000E+01 volume 2.54470 ppm1 6.976 ppm2 0.491
ASSI { 10954}
  (( segid "SEGA" and resid 66  and name HB#  ))
  (( segid "SEGB" and resid 62  and name HD1#  ))
     6 6 0 peak 10954 weight  0.1000E+01 volume 19.38890 ppm1 1.661 ppm2 0.735
ASSI { 10994}
  (( segid "SEGA" and resid 50  and name HE1  ))
  (( segid "SEGB" and resid 47  and name HD2#  ))
     6 6 0 peak 10994 weight  0.1000E+01 volume 4.24040 ppm1 6.926 ppm2 0.878
ASSI { 11004}
  (( segid "SEGA" and resid 36  and name HD1#  ))
  (( segid "SEGB" and resid 47  and name HD2#  ))
     6 6 0 peak 11004 weight  0.1000E+01 volume 9.35440 ppm1 0.335 ppm2 0.877
ASSI { 13174}
  (( segid "SEGA" and resid 36  and name HG2#  ))
  (( segid "SEGB" and resid 51  and name HD1#  ))
     6 6 0 peak 13174 weight  0.1000E+01 volume 1.30900 ppm1 0.947 ppm2 -0.383
ASSI { 13424}
  (( segid "SEGA" and resid 43  and name HZ2  ))
  (( segid "SEGB" and resid 46  and name HB#  ))
     6 6 0 peak 13424 weight  0.1000E+01 volume 1.94500 ppm1 6.891 ppm2 0.042
ASSI { 13884}
  (( segid "SEGA" and resid 38  and name HD2  ))
  (( segid "SEGB" and resid 46  and name HA  ))
     6 6 0 peak 13884 weight  0.1000E+01 volume 0.87670 ppm1 3.303 ppm2 3.561
ASSI { 14224}
  (( segid "SEGA" and resid 36  and name HG2#  ))
  (( segid "SEGB" and resid 46  and name HA  ))
     6 6 0 peak 14224 weight  0.1000E+01 volume 0.84480 ppm1 0.947 ppm2 3.561
ASSI { 14344}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGB" and resid 46  and name HB#  ))
     6 6 0 peak 14344 weight  0.1000E+01 volume 1.22940 ppm1 -0.376 ppm2 0.042
ASSI { 14364}
  (( segid "SEGA" and resid 38  and name HD2  ))
  (( segid "SEGB" and resid 46  and name HB#  ))
     6 6 0 peak 14364 weight  0.1000E+01 volume 6.21330 ppm1 3.293 ppm2 0.042
ASSI { 14524}
  (( segid "SEGA" and resid 36  and name HD1#  ))
  (( segid "SEGB" and resid 66  and name HB#  ))
     6 6 0 peak 14524 weight  0.1000E+01 volume 4.10220 ppm1 0.336 ppm2 1.652
ASSI { 16234}
  (( segid "SEGA" and resid 47  and name HD1#  ))
  (( segid "SEGB" and resid 60  and name HE#  ))
     6 6 0 peak 16234 weight  0.1000E+01 volume 5.60760 ppm1 1.431 ppm2 1.792
ASSI { 16444}
  (( segid "SEGA" and resid 33  and name HB1  ))
  (( segid "SEGB" and resid 1  and name HE#  ))
     6 6 0 peak 16444 weight  0.1000E+01 volume 2.58180 ppm1 3.225 ppm2 1.772
ASSI { 16474}
  (( segid "SEGA" and resid 34  and name HB1  ))
  (( segid "SEGB" and resid 1  and name HE#  ))
     6 6 0 peak 16474 weight  0.1000E+01 volume 5.95590 ppm1 1.470 ppm2 1.772
ASSI { 16484}
  (( segid "SEGA" and resid 34  and name HB2  ))
  (( segid "SEGB" and resid 1  and name HE#  ))
     6 6 0 peak 16484 weight  0.1000E+01 volume 2.11400 ppm1 1.382 ppm2 1.772
ASSI { 16494}
  (( segid "SEGA" and resid 34  and name HD1#  ))
  (( segid "SEGB" and resid 1  and name HE#  ))
     6 6 0 peak 16494 weight  0.1000E+01 volume 13.19270 ppm1 0.494 ppm2 1.772
ASSI { 16504}
  (( segid "SEGA" and resid 34  and name HD2#  ))
  (( segid "SEGB" and resid 1  and name HE#  ))
     6 6 0 peak 16504 weight  0.1000E+01 volume 8.54020 ppm1 0.373 ppm2 1.772
ASSI { 17284}
  (( segid "SEGA" and resid 1  and name HE#  ))
  (( segid "SEGB" and resid 34  and name HB2  ))
     6 6 0 peak 17284 weight  0.1000E+01 volume 1.46190 ppm1 1.779 ppm2 1.378
ASSI { 17294}
  (( segid "SEGA" and resid 1  and name HE#  ))
  (( segid "SEGB" and resid 34  and name HB1  ))
     6 6 0 peak 17294 weight  0.1000E+01 volume 1.47040 ppm1 1.778 ppm2 1.464
ASSI { 17414}
  (( segid "SEGA" and resid 16  and name HE1  ))
  (( segid "SEGB" and resid 34  and name HD1#  ))
     6 6 0 peak 17414 weight  0.1000E+01 volume 4.05710 ppm1 6.899 ppm2 0.491
ASSI { 17454}
  (( segid "SEGA" and resid 1  and name HE#  ))
  (( segid "SEGB" and resid 34  and name HD1#  ))
     6 6 0 peak 17454 weight  0.1000E+01 volume 12.42470 ppm1 1.779 ppm2 0.490
ASSI { 17474}
  (( segid "SEGA" and resid 16  and name HE1  ))
  (( segid "SEGB" and resid 34  and name HD2#  ))
     6 6 0 peak 17474 weight  0.1000E+01 volume 3.73200 ppm1 6.898 ppm2 0.367
ASSI { 17504}
  (( segid "SEGA" and resid 1  and name HE#  ))
  (( segid "SEGB" and resid 34  and name HD2#  ))
     6 6 0 peak 17504 weight  0.1000E+01 volume 9.28940 ppm1 1.778 ppm2 0.367
ASSI { 17654}
  (( segid "SEGA" and resid 60  and name HE#  ))
  (( segid "SEGB" and resid 47  and name HD1#  ))
     6 6 0 peak 17654 weight  0.1000E+01 volume 8.13630 ppm1 1.797 ppm2 1.426
ASSI { 17664}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGB" and resid 47  and name HD1#  ))
     6 6 0 peak 17664 weight  0.1000E+01 volume 4.77180 ppm1 -0.376 ppm2 1.426
ASSI { 17674}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGB" and resid 47  and name HD2#  ))
     6 6 0 peak 17674 weight  0.1000E+01 volume 1.71760 ppm1 -0.376 ppm2 0.878
ASSI { 17904}
  (( segid "SEGA" and resid 47  and name HD1#  ))
  (( segid "SEGB" and resid 51  and name HD1#  ))
     6 6 0 peak 17904 weight  0.1000E+01 volume 4.83950 ppm1 1.433 ppm2 -0.384
ASSI { 17924}
  (( segid "SEGA" and resid 47  and name HD2#  ))
  (( segid "SEGB" and resid 51  and name HD1#  ))
     6 6 0 peak 17924 weight  0.1000E+01 volume 3.44760 ppm1 0.872 ppm2 -0.384
ASSI { 18034}
  (( segid "SEGA" and resid 36  and name HD1#  ))
  (( segid "SEGB" and resid 62  and name HD1#  ))
     6 6 0 peak 18034 weight  0.1000E+01 volume 9.54460 ppm1 0.341 ppm2 0.735
ASSI { 19034}
  (( segid "SEGA" and resid 47  and name HA  ))
  (( segid "SEGB" and resid 36  and name HD1#  ))
     6 6 0 peak 19034 weight  0.1000E+01 volume 0.80240 ppm1 4.803 ppm2 0.326
ASSI { 19044}
  (( segid "SEGA" and resid 66  and name HB#  ))
  (( segid "SEGB" and resid 36  and name HD1#  ))
     6 6 0 peak 19044 weight  0.1000E+01 volume 6.91410 ppm1 1.655 ppm2 0.327
ASSI { 19054}
  (( segid "SEGA" and resid 38  and name HG1  ))
  (( segid "SEGB" and resid 36  and name HD1#  ))
     6 6 0 peak 19054 weight  0.1000E+01 volume 13.92370 ppm1 1.429 ppm2 0.327
ASSI { 19064}
  (( segid "SEGA" and resid 51  and name HD1#  ))
  (( segid "SEGB" and resid 36  and name HD1#  ))
     6 6 0 peak 19064 weight  0.1000E+01 volume 0.55780 ppm1 -0.376 ppm2 0.327
ASSI { 23114}
  (( segid "SEGA" and resid 46  and name HB#  ))
  (( segid "SEGB" and resid 38  and name HD2  ))
     6 6 0 peak 23114 weight  0.1000E+01 volume 1.24150 ppm1 0.043 ppm2 3.298
ASSI { 25294}
  (( segid "SEGA" and resid 50  and name HE1  ))
  (( segid "SEGB" and resid 36  and name HG11  ))
     6 6 0 peak 25294 weight  0.1000E+01 volume 5.77210 ppm1 6.922 ppm2 1.305
ASSI { 25304}
  (( segid "SEGA" and resid 47  and name HD2#  ))
  (( segid "SEGB" and resid 36  and name HD1#  ))
     6 6 0 peak 25304 weight  0.1000E+01 volume 16.84960 ppm1 0.885 ppm2 0.327
ASSI { 25794}
  (( segid "SEGA" and resid 36  and name HD1#  ))
  (( segid "SEGB" and resid 36  and name HD1#  ))
     6 6 0 peak 25794 weight  0.1000E+01 volume 16.74930 ppm1 0.337 ppm2 0.328
ASSI { 25804}
  (( segid "SEGA" and resid 51  and name HG  ))
  (( segid "SEGB" and resid 36  and name HD1#  ))
     6 6 0 peak 25804 weight  0.1000E+01 volume 2.07450 ppm1 0.082 ppm2 0.328
ASSI { 25844}
  (( segid "SEGA" and resid 60  and name HE#  ))
  (( segid "SEGB" and resid 60  and name HE#  ))
     6 6 0 peak 25844 weight  0.1000E+01 volume 15.350760 ppm1 1.803 ppm2 1.793
ASSI { 25864}
  (( segid "SEGA" and resid 47  and name HD1#  ))
  (( segid "SEGB" and resid 47  and name HD1#  ))
     6 6 0 peak 25864 weight  0.1000E+01 volume 70.951870 ppm1 1.441 ppm2 1.427
ASSI { 25874}
  (( segid "SEGA" and resid 47  and name HD2#  ))
  (( segid "SEGB" and resid 47  and name HD2#  ))
     6 6 0 peak 25874 weight  0.1000E+01 volume 22.62210 ppm1 0.880 ppm2 0.878
ASSI { 25884}
  (( segid "SEGA" and resid 62  and name HD2#  ))
  (( segid "SEGB" and resid 62  and name HD2#  ))
     6 6 0 peak 25884 weight  0.1000E+01 volume 69.791570 ppm1 0.703 ppm2 0.692
ASSI { 25894}
  (( segid "SEGA" and resid 62  and name HD1#  ))
  (( segid "SEGB" and resid 62  and name HD2#  ))
     6 6 0 peak 25894 weight  0.1000E+01 volume 53.471350 ppm1 0.773 ppm2 0.692
ASSI { 25964}
  (( segid "SEGA" and resid 36  and name HG2#  ))
  (( segid "SEGB" and resid 36  and name HG2#  ))
     6 6 0 peak 25964 weight  0.1000E+01 volume 14.04469 ppm1 0.938 ppm2 0.939
ASSI { 74504}
  (( segid "SEGB" and resid 43  and name HE3  ))
  (( segid "SEGA" and resid 47  and name HD1#  ))
     6 6 0 peak 74504 weight  0.1000E+01 volume 50.34360 ppm1 7.010 ppm2 1.426
ASSI { 74564}
  (( segid "SEGB" and resid 47  and name HD2#  ))
  (( segid "SEGA" and resid 47  and name HD1#  ))
     6 6 0 peak 74564 weight  0.1000E+01 volume 21.03760 ppm1 0.882 ppm2 1.426
ASSI { 74594}
  (( segid "SEGB" and resid 46  and name HB#  ))
  (( segid "SEGA" and resid 47  and name HD1#  ))
     6 6 0 peak 74594 weight  0.1000E+01 volume 4.45600 ppm1 0.051 ppm2 1.426
ASSI { 74644}
  (( segid "SEGB" and resid 36  and name HD1#  ))
  (( segid "SEGA" and resid 36  and name HG12  ))
     6 6 0 peak 74644 weight  0.1000E+01 volume 4.06930 ppm1 0.339 ppm2 1.018
ASSI { 74774}
  (( segid "SEGB" and resid 16  and name HD1  ))
  (( segid "SEGA" and resid 34  and name HD2#  ))
     6 6 0 peak 74774 weight  0.1000E+01 volume 3.73950 ppm1 6.974 ppm2 0.368
ASSI { 75124}
  (( segid "SEGB" and resid 43  and name HE3  ))
  (( segid "SEGA" and resid 47  and name HD2#  ))
     6 6 0 peak 75124 weight  0.1000E+01 volume 20.92530 ppm1 7.012 ppm2 0.877
ASSI { 76034}
  (( segid "SEGB" and resid 60  and name HE#  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 76034 weight  0.1000E+01 volume 5.25000 ppm1 1.807 ppm2 -0.384
ASSI { 76104}
  (( segid "SEGB" and resid 62  and name HA  ))
  (( segid "SEGA" and resid 62  and name HD2#  ))
     6 6 0 peak 76104 weight  0.1000E+01 volume 11.89470 ppm1 4.468 ppm2 0.693
ASSI { 76154}
  (( segid "SEGB" and resid 62  and name HB1  ))
  (( segid "SEGA" and resid 62  and name HD2#  ))
     6 6 0 peak 76154 weight  0.1000E+01 volume 24.35000 ppm1 1.804 ppm2 0.693
ASSI { 76174}
  (( segid "SEGB" and resid 66  and name HB#  ))
  (( segid "SEGA" and resid 62  and name HD2#  ))
     6 6 0 peak 76174 weight  0.1000E+01 volume 18.61920 ppm1 1.659 ppm2 0.693
ASSI { 76454}
  (( segid "SEGB" and resid 60  and name HB2  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 76454 weight  0.1000E+01 volume 7.22240 ppm1 2.248 ppm2 1.792
ASSI { 76474}
  (( segid "SEGB" and resid 62  and name HD1#  ))
  (( segid "SEGA" and resid 66  and name HB#  ))
     6 6 0 peak 76474 weight  0.1000E+01 volume 12.81420 ppm1 0.720 ppm2 1.650
ASSI { 76484}
  (( segid "SEGB" and resid 62  and name HD2#  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 76484 weight  0.1000E+01 volume 23.45900 ppm1 0.703 ppm2 1.792
ASSI { 76494}
  (( segid "SEGB" and resid 36  and name HD1#  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 76494 weight  0.1000E+01 volume 63.17570 ppm1 0.333 ppm2 1.792
ASSI { 76654}
  (( segid "SEGB" and resid 43  and name HD1  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 76654 weight  0.1000E+01 volume 12.16480 ppm1 8.266 ppm2 0.042
ASSI { 76724}
  (( segid "SEGB" and resid 43  and name HA  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 76724 weight  0.1000E+01 volume 60.80310 ppm1 4.995 ppm2 0.043
ASSI { 76794}
  (( segid "SEGB" and resid 46  and name HA  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 76794 weight  0.1000E+01 volume 4.03040 ppm1 3.553 ppm2 0.042
ASSI { 76804}
  (( segid "SEGB" and resid 46  and name HB#  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 76804 weight  0.1000E+01 volume 42.03040 ppm1 3.553 ppm2 0.042
ASSI { 76814}
  (( segid "SEGB" and resid 42  and name HB1  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 76814 weight  0.1000E+01 volume 3.32500 ppm1 2.505 ppm2 0.042
ASSI { 76824}
  (( segid "SEGB" and resid 42  and name HB2  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 76824 weight  0.1000E+01 volume 3.13560 ppm1 2.357 ppm2 0.042
ASSI { 76834}
  (( segid "SEGB" and resid 38  and name HB1  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 76834 weight  0.1000E+01 volume 2.05600 ppm1 2.053 ppm2 0.042
ASSI { 76884}
  (( segid "SEGB" and resid 47  and name HD1#  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 76884 weight  0.1000E+01 volume 8.73670 ppm1 1.437 ppm2 0.042
ASSI { 77054}
  (( segid "SEGB" and resid 50  and name HE1  ))
  (( segid "SEGA" and resid 36  and name HG2#  ))
     6 6 0 peak 77054 weight  0.1000E+01 volume 8.97790 ppm1 6.921 ppm2 0.938
ASSI { 77084}
  (( segid "SEGB" and resid 47  and name HD1#  ))
  (( segid "SEGA" and resid 36  and name HG2#  ))
     6 6 0 peak 77084 weight  0.1000E+01 volume 4.91840 ppm1 1.430 ppm2 0.938
ASSI { 77114}
  (( segid "SEGB" and resid 46  and name HB#  ))
  (( segid "SEGA" and resid 36  and name HG2#  ))
     6 6 0 peak 77114 weight  0.1000E+01 volume 2.19550 ppm1 0.039 ppm2 0.938
ASSI { 77764}
  (( segid "SEGB" and resid 50  and name HE1  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 77764 weight  0.1000E+01 volume 14.63500 ppm1 6.925 ppm2 0.327
ASSI { 77774}
  (( segid "SEGB" and resid 36  and name HB  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 77774 weight  0.1000E+01 volume 19.68690 ppm1 1.804 ppm2 0.327
ASSI { 77804}
  (( segid "SEGB" and resid 62  and name HD1#  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 77804 weight  0.1000E+01 volume 14.80040 ppm1 0.720 ppm2 0.327
ASSI { 79364}
  (( segid "SEGB" and resid 60  and name HB1  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 79364 weight  0.1000E+01 volume 5.73910 ppm1 2.550 ppm2 1.792
ASSI { 79394}
  (( segid "SEGB" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 79394 weight  0.1000E+01 volume 1.74630 ppm1 -0.376 ppm2 1.792
ASSI { 79484}
  (( segid "SEGB" and resid 50  and name HD1  ))
  (( segid "SEGA" and resid 36  and name HG2#  ))
     6 6 0 peak 79484 weight  0.1000E+01 volume 0.88030 ppm1 7.195 ppm2 0.938
ASSI { 79494}
  (( segid "SEGB" and resid 46  and name HA  ))
  (( segid "SEGA" and resid 36  and name HG2#  ))
     6 6 0 peak 79494 weight  0.1000E+01 volume 1.09090 ppm1 3.549 ppm2 0.938
ASSI { 79504}
  (( segid "SEGB" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 36  and name HG2#  ))
     6 6 0 peak 79504 weight  0.1000E+01 volume 0.81700 ppm1 -0.377 ppm2 0.938
ASSI { 79524}
  (( segid "SEGB" and resid 50  and name HD1  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 79524 weight  0.1000E+01 volume 21.84130 ppm1 7.190 ppm2 0.327
ASSI { 80044}
  (( segid "SEGB" and resid 16  and name HD1  ))
  (( segid "SEGA" and resid 34  and name HD1#  ))
     6 6 0 peak 80044 weight  0.1000E+01 volume 2.54470 ppm1 6.976 ppm2 0.491
ASSI { 80054}
  (( segid "SEGB" and resid 62  and name HD1#  ))
  (( segid "SEGA" and resid 34  and name HD1#  ))
     6 6 0 peak 80054 weight  0.1000E+01 volume 6.00290 ppm1 0.737 ppm2 0.491
ASSI { 80954}
  (( segid "SEGB" and resid 66  and name HB#  ))
  (( segid "SEGA" and resid 62  and name HD1#  ))
     6 6 0 peak 80954 weight  0.1000E+01 volume 19.38890 ppm1 1.661 ppm2 0.735
ASSI { 81004}
  (( segid "SEGB" and resid 36  and name HD1#  ))
  (( segid "SEGA" and resid 47  and name HD2#  ))
     6 6 0 peak 81004 weight  0.1000E+01 volume 9.35440 ppm1 0.335 ppm2 0.877
ASSI { 83174}
  (( segid "SEGB" and resid 36  and name HG2#  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 83174 weight  0.1000E+01 volume 1.30900 ppm1 0.947 ppm2 -0.383
ASSI { 83424}
  (( segid "SEGB" and resid 43  and name HZ2  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 83424 weight  0.1000E+01 volume 1.94500 ppm1 6.891 ppm2 0.042
ASSI { 83884}
  (( segid "SEGB" and resid 38  and name HD2  ))
  (( segid "SEGA" and resid 46  and name HA  ))
     6 6 0 peak 83884 weight  0.1000E+01 volume 0.87670 ppm1 3.303 ppm2 3.561
ASSI { 84224}
  (( segid "SEGB" and resid 36  and name HG2#  ))
  (( segid "SEGA" and resid 46  and name HA  ))
     6 6 0 peak 84224 weight  0.1000E+01 volume 0.84480 ppm1 0.947 ppm2 3.561
ASSI { 84344}
  (( segid "SEGB" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 84344 weight  0.1000E+01 volume 1.22940 ppm1 -0.376 ppm2 0.042
ASSI { 84364}
  (( segid "SEGB" and resid 38  and name HD2  ))
  (( segid "SEGA" and resid 46  and name HB#  ))
     6 6 0 peak 84364 weight  0.1000E+01 volume 6.21330 ppm1 3.293 ppm2 0.042
ASSI { 84524}
  (( segid "SEGB" and resid 36  and name HD1#  ))
  (( segid "SEGA" and resid 66  and name HB#  ))
     6 6 0 peak 84524 weight  0.1000E+01 volume 4.10220 ppm1 0.336 ppm2 1.652
ASSI { 86234}
  (( segid "SEGB" and resid 47  and name HD1#  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 86234 weight  0.1000E+01 volume 5.60760 ppm1 1.431 ppm2 1.792
ASSI { 86444}
  (( segid "SEGB" and resid 33  and name HB1  ))
  (( segid "SEGA" and resid 1  and name HE#  ))
     6 6 0 peak 86444 weight  0.1000E+01 volume 2.58180 ppm1 3.225 ppm2 1.772
ASSI { 86474}
  (( segid "SEGB" and resid 34  and name HB1  ))
  (( segid "SEGA" and resid 1  and name HE#  ))
     6 6 0 peak 86474 weight  0.1000E+01 volume 5.95590 ppm1 1.470 ppm2 1.772
ASSI { 86484}
  (( segid "SEGB" and resid 34  and name HB2  ))
  (( segid "SEGA" and resid 1  and name HE#  ))
     6 6 0 peak 86484 weight  0.1000E+01 volume 2.11400 ppm1 1.382 ppm2 1.772
ASSI { 86494}
  (( segid "SEGB" and resid 34  and name HD1#  ))
  (( segid "SEGA" and resid 1  and name HE#  ))
     6 6 0 peak 86494 weight  0.1000E+01 volume 13.19270 ppm1 0.494 ppm2 1.772
ASSI { 86504}
  (( segid "SEGB" and resid 34  and name HD2#  ))
  (( segid "SEGA" and resid 1  and name HE#  ))
     6 6 0 peak 86504 weight  0.1000E+01 volume 8.54020 ppm1 0.373 ppm2 1.772
ASSI { 87284}
  (( segid "SEGB" and resid 1  and name HE#  ))
  (( segid "SEGA" and resid 34  and name HB2  ))
     6 6 0 peak 87284 weight  0.1000E+01 volume 1.46190 ppm1 1.779 ppm2 1.378
ASSI { 87294}
  (( segid "SEGB" and resid 1  and name HE#  ))
  (( segid "SEGA" and resid 34  and name HB1  ))
     6 6 0 peak 87294 weight  0.1000E+01 volume 1.47040 ppm1 1.778 ppm2 1.464
ASSI { 87414}
  (( segid "SEGB" and resid 16  and name HE1  ))
  (( segid "SEGA" and resid 34  and name HD1#  ))
     6 6 0 peak 87414 weight  0.1000E+01 volume 4.05710 ppm1 6.899 ppm2 0.491
ASSI { 87454}
  (( segid "SEGB" and resid 1  and name HE#  ))
  (( segid "SEGA" and resid 34  and name HD1#  ))
     6 6 0 peak 87454 weight  0.1000E+01 volume 12.42470 ppm1 1.779 ppm2 0.490
ASSI { 87474}
  (( segid "SEGB" and resid 16  and name HE1  ))
  (( segid "SEGA" and resid 34  and name HD2#  ))
     6 6 0 peak 87474 weight  0.1000E+01 volume 3.73200 ppm1 6.898 ppm2 0.367
ASSI { 87504}
  (( segid "SEGB" and resid 1  and name HE#  ))
  (( segid "SEGA" and resid 34  and name HD2#  ))
     6 6 0 peak 87504 weight  0.1000E+01 volume 9.28940 ppm1 1.778 ppm2 0.367
ASSI { 87654}
  (( segid "SEGB" and resid 60  and name HE#  ))
  (( segid "SEGA" and resid 47  and name HD1#  ))
     6 6 0 peak 87654 weight  0.1000E+01 volume 8.13630 ppm1 1.797 ppm2 1.426
ASSI { 87664}
  (( segid "SEGB" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 47  and name HD1#  ))
     6 6 0 peak 87664 weight  0.1000E+01 volume 4.77180 ppm1 -0.376 ppm2 1.426
ASSI { 87674}
  (( segid "SEGB" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 47  and name HD2#  ))
     6 6 0 peak 87674 weight  0.1000E+01 volume 1.71760 ppm1 -0.376 ppm2 0.878
ASSI { 87904}
  (( segid "SEGB" and resid 47  and name HD1#  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 87904 weight  0.1000E+01 volume 4.83950 ppm1 1.433 ppm2 -0.384
ASSI { 87924}
  (( segid "SEGB" and resid 47  and name HD2#  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 87924 weight  0.1000E+01 volume 3.44760 ppm1 0.872 ppm2 -0.384
ASSI { 88034}
  (( segid "SEGB" and resid 36  and name HD1#  ))
  (( segid "SEGA" and resid 62  and name HD1#  ))
     6 6 0 peak 88034 weight  0.1000E+01 volume 9.54460 ppm1 0.341 ppm2 0.735
ASSI { 89034}
  (( segid "SEGB" and resid 47  and name HA  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 89034 weight  0.1000E+01 volume 0.80240 ppm1 4.803 ppm2 0.326
ASSI { 89044}
  (( segid "SEGB" and resid 66  and name HB#  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 89044 weight  0.1000E+01 volume 6.91410 ppm1 1.655 ppm2 0.327
ASSI { 89064}
  (( segid "SEGB" and resid 51  and name HD1#  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 89064 weight  0.1000E+01 volume 0.55780 ppm1 -0.376 ppm2 0.327
ASSI { 83114}
  (( segid "SEGB" and resid 46  and name HB#  ))
  (( segid "SEGA" and resid 38  and name HD2  ))
     6 6 0 peak 83114 weight  0.1000E+01 volume 1.24150 ppm1 0.043 ppm2 3.298
ASSI { 85294}
  (( segid "SEGB" and resid 50  and name HE1  ))
  (( segid "SEGA" and resid 36  and name HG11  ))
     6 6 0 peak 85294 weight  0.1000E+01 volume 5.77210 ppm1 6.922 ppm2 1.305
ASSI { 85304}
  (( segid "SEGB" and resid 47  and name HD2#  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 85304 weight  0.1000E+01 volume 16.84960 ppm1 0.885 ppm2 0.327
ASSI { 85794}
  (( segid "SEGB" and resid 36  and name HD1#  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 85794 weight  0.1000E+01 volume 16.74930 ppm1 0.337 ppm2 0.328
ASSI { 85804}
  (( segid "SEGB" and resid 51  and name HG  ))
  (( segid "SEGA" and resid 36  and name HD1#  ))
     6 6 0 peak 85804 weight  0.1000E+01 volume 2.07450 ppm1 0.082 ppm2 0.328
ASSI { 85844}
  (( segid "SEGB" and resid 60  and name HE#  ))
  (( segid "SEGA" and resid 60  and name HE#  ))
     6 6 0 peak 85844 weight  0.1000E+01 volume 15.350760 ppm1 1.803 ppm2 1.793
ASSI { 85864}
  (( segid "SEGB" and resid 47  and name HD1#  ))
  (( segid "SEGA" and resid 47  and name HD1#  ))
     6 6 0 peak 85864 weight  0.1000E+01 volume 70.951870 ppm1 1.441 ppm2 1.427
ASSI { 85874}
  (( segid "SEGB" and resid 47  and name HD2#  ))
  (( segid "SEGA" and resid 47  and name HD2#  ))
     6 6 0 peak 85874 weight  0.1000E+01 volume 22.62210 ppm1 0.880 ppm2 0.878
ASSI { 85884}
  (( segid "SEGB" and resid 62  and name HD2#  ))
  (( segid "SEGA" and resid 62  and name HD2#  ))
     6 6 0 peak 85884 weight  0.1000E+01 volume 69.791570 ppm1 0.703 ppm2 0.692
ASSI { 85894}
  (( segid "SEGB" and resid 62  and name HD1#  ))
  (( segid "SEGA" and resid 62  and name HD2#  ))
     6 6 0 peak 85894 weight  0.1000E+01 volume 53.471350 ppm1 0.773 ppm2 0.692
ASSI { 85964}
  (( segid "SEGB" and resid 36  and name HG2#  ))
  (( segid "SEGA" and resid 36  and name HG2#  ))
     6 6 0 peak 85964 weight  0.1000E+01 volume 14.04469 ppm1 0.938 ppm2 0.939
! F3 (1H): 0.03 ppm
! F2 (X): 0.3 ppm
! F1 (1H): 0.03 ppm
!The last digit in peak ID is the spectrum number
!
!
!The last digit in peak ID is the spectrum number

ASSI {    07}
  (( segid "SEGA" and resid 215  and name HD1  ))
  (( segid "SEGA" and resid 105  and name HE1  ))
     6 6 0 peak 07 weight  0.1100E+01 volume 10.50850 ppm1 2.795 ppm2 6.659
ASSI {    17}
  (( segid "SEGA" and resid 301  and name HB2  ))
  (( segid "SEGA" and resid 50  and name HE2  ))
     6 6 0 peak 17 weight  0.1100E+01 volume 19.85140 ppm1 2.245 ppm2 6.985
ASSI {    27}
  (( segid "SEGA" and resid 301  and name HB1  ))
  (( segid "SEGA" and resid 50  and name HE2  ))
     6 6 0 peak 27 weight  0.1100E+01 volume 17.25310 ppm1 2.164 ppm2 6.982
ASSI {    37}
  (( segid "SEGA" and resid 301  and name HA  ))
  (( segid "SEGA" and resid 50  and name HE2  ))
     6 6 0 peak 37 weight  0.1100E+01 volume 15.16180 ppm1 2.798 ppm2 6.986
ASSI {    47}
  (( segid "SEGA" and resid 301  and name HE2  ))
  (( segid "SEGA" and resid 50  and name HE2  ))
     6 6 0 peak 47 weight  0.1100E+01 volume 7.57500 ppm1 3.911 ppm2 6.975
ASSI {    57}
  (( segid "SEGA" and resid 301  and name HB2  ))
  (( segid "SEGA" and resid 50  and name HD1  ))
     6 6 0 peak 57 weight  0.1100E+01 volume 12.26540 ppm1 2.242 ppm2 7.254
ASSI {    77}
  (( segid "SEGA" and resid 301  and name HA  ))
  (( segid "SEGA" and resid 50  and name HE1  ))
     6 6 0 peak 77 weight  0.1100E+01 volume 8.27830 ppm1 2.800 ppm2 6.943
ASSI {    97}
  (( segid "SEGA" and resid 301  and name HA  ))
  (( segid "SEGA" and resid 50  and name HD1  ))
     6 6 0 peak 97 weight  0.1100E+01 volume 16.59630 ppm1 2.804 ppm2 7.244
ASSI {   107}
  (( segid "SEGA" and resid 301  and name HB1  ))
  (( segid "SEGA" and resid 50  and name HE1  ))
     6 6 0 peak 107 weight  0.1100E+01 volume 8.28470 ppm1 2.162 ppm2 6.936
ASSI {   117}
  (( segid "SEGA" and resid 301  and name HB2  ))
  (( segid "SEGA" and resid 50  and name HE1  ))
     6 6 0 peak 117 weight  0.1100E+01 volume 9.16870 ppm1 2.245 ppm2 6.941
ASSI {   157}
  (( segid "SEGA" and resid 301  and name H8  ))
  (( segid "SEGA" and resid 105  and name HE1  ))
     6 6 0 peak 157 weight  0.1100E+01 volume 1.18990 ppm1 8.464 ppm2 6.647
ASSI {   167}
  (( segid "SEGA" and resid 215  and name HE2  ))
  (( segid "SEGA" and resid 105  and name HE2  ))
     6 6 0 peak 167 weight  0.1100E+01 volume 22.58280 ppm1 3.159 ppm2 6.306
ASSI {   177}
  (( segid "SEGA" and resid 215  and name HE2  ))
  (( segid "SEGA" and resid 105  and name HE1  ))
     6 6 0 peak 177 weight  0.1100E+01 volume 25.20140 ppm1 3.161 ppm2 6.664
ASSI {   187}
  (( segid "SEGA" and resid 215  and name HE1  ))
  (( segid "SEGA" and resid 105  and name HE2  ))
     6 6 0 peak 187 weight  0.1100E+01 volume 12.51370 ppm1 3.092 ppm2 6.291
ASSI {   197}
  (( segid "SEGA" and resid 215  and name HE1  ))
  (( segid "SEGA" and resid 105  and name HE2  ))
     6 6 0 peak 197 weight  0.1100E+01 volume 11.97330 ppm1 3.095 ppm2 6.658
ASSI {   207}
  (( segid "SEGA" and resid 301  and name H4'  ))
  (( segid "SEGA" and resid 105  and name HE2  ))
     6 6 0 peak 207 weight  0.1100E+01 volume 2.25020 ppm1 4.523 ppm2 6.283
ASSI {   217}
  (( segid "SEGA" and resid 301  and name H4'  ))
  (( segid "SEGA" and resid 105  and name HE1  ))
     6 6 0 peak 217 weight  0.1100E+01 volume 4.60130 ppm1 4.525 ppm2 6.653
ASSI {   227}
  (( segid "SEGA" and resid 215  and name HD1  ))
  (( segid "SEGA" and resid 105  and name HE2  ))
     6 6 0 peak 227 weight  0.1100E+01 volume 8.23320 ppm1 2.809 ppm2 6.318
ASSI {   237}
  (( segid "SEGA" and resid 301  and name H8  ))
  (( segid "SEGA" and resid 105  and name HE2  ))
     6 6 0 peak 237 weight  0.1100E+01 volume 1.24450 ppm1 8.474 ppm2 6.304
ASSI {   257}
  (( segid "SEGA" and resid 301  and name HB1  ))
  (( segid "SEGA" and resid 50  and name HD1  ))
     6 6 0 peak 257 weight  0.1100E+01 volume 5.02400 ppm1 2.139 ppm2 7.251
ASSI {   267}
  (( segid "SEGA" and resid 215  and name HA  ))
  (( segid "SEGA" and resid 109  and name HD1  ))
     6 6 0 peak 267 weight  0.1100E+01 volume 3.44860 ppm1 4.448 ppm2 6.667

!! some intermolecular noe from aromatic noesy of ternary complpex.

ASSI {   1007}
  (( segid "SEGA" and resid 301  and name H2''  ))
  (( segid "SEGA" and resid 110  and name HZ3  ))
     6 6 0 peak 1007 weight  0.1100E+01 volume 12.41700 ppm1 4.986 ppm2 7.132
ASSI {   1017}
  (( segid "SEGA" and resid 301  and name H2''  ))
  (( segid "SEGA" and resid 110  and name HH2  ))
     6 6 0 peak 1017 weight  0.1100E+01 volume 21.41700 ppm1 5.005 ppm2 7.230
! F3 (1H): 0.04 ppm
! F2 (X): 0.4 ppm
! F1 (1H): 0.04 ppm
!The last digit in peak ID is the spectrum number
!
!
!The last digit in peak ID is the spectrum number

ASSI {    05}
  (( segid "SEGA" and resid 214  and name HD2  ))
  (( segid "SEGA" and resid 53  and name HB2  ))
     6 6 0 peak 05 weight  0.1000E+01 volume 213.39580 ppm1 3.269 ppm2 3.686
ASSI {    15}
  (( segid "SEGA" and resid 214  and name HB2  ))
  (( segid "SEGA" and resid 53  and name HB2  ))
     6 6 0 peak 15 weight  0.1000E+01 volume 160.67419 ppm1 1.911 ppm2 3.681
ASSI {    25}
  (( segid "SEGA" and resid 214  and name HB1  ))
  (( segid "SEGA" and resid 53  and name HB2  ))
     6 6 0 peak 25 weight  0.1000E+01 volume 213.55569 ppm1 1.838 ppm2 3.677
ASSI {    35}
  (( segid "SEGA" and resid 214  and name HG2  ))
  (( segid "SEGA" and resid 53  and name HB2  ))
     6 6 0 peak 35 weight  0.1000E+01 volume 230.59309 ppm1 1.710 ppm2 3.696
ASSI {    45}
  (( segid "SEGA" and resid 301  and name HB2  ))
  (( segid "SEGA" and resid 67  and name HG2#  ))
     6 6 0 peak 45 weight  0.1000E+01 volume 59.30020 ppm1 2.194 ppm2 0.833
ASSI {    55}
  (( segid "SEGA" and resid 301  and name HB1  ))
  (( segid "SEGA" and resid 67  and name HG2#  ))
     6 6 0 peak 55 weight  0.1000E+01 volume 63.44480 ppm1 2.130 ppm2 0.826
ASSI {    85}
  (( segid "SEGA" and resid 218  and name HD1  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 85 weight  0.1000E+01 volume 92.54860 ppm1 3.727 ppm2 0.641
ASSI {    95}
  (( segid "SEGA" and resid 218  and name HD2  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 95 weight  0.1000E+01 volume 105.21610 ppm1 3.833 ppm2 0.646
ASSI {   105}
  (( segid "SEGA" and resid 214  and name HG2  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 105 weight  0.1000E+01 volume 64.06930 ppm1 1.705 ppm2 0.051
ASSI {   115}
  (( segid "SEGA" and resid 214  and name HD2  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 115 weight  0.1000E+01 volume 116.70050 ppm1 3.271 ppm2 0.051
ASSI {   125}
  (( segid "SEGA" and resid 215  and name HB2  ))
  (( segid "SEGA" and resid 52  and name HA  ))
     6 6 0 peak 125 weight  0.1000E+01 volume 56.94340 ppm1 1.910 ppm2 4.819
ASSI {   135}
  (( segid "SEGA" and resid 215  and name HB1  ))
  (( segid "SEGA" and resid 52  and name HA  ))
     6 6 0 peak 135 weight  0.1000E+01 volume 44.29890 ppm1 1.836 ppm2 4.831
ASSI {   145}
  (( segid "SEGA" and resid 301  and name HB1  ))
  (( segid "SEGA" and resid 68  and name HA  ))
     6 6 0 peak 145 weight  0.1000E+01 volume 53.53360 ppm1 2.122 ppm2 4.016
ASSI {   155}
  (( segid "SEGA" and resid 301  and name HB2  ))
  (( segid "SEGA" and resid 68  and name HA  ))
     6 6 0 peak 155 weight  0.1000E+01 volume 44.08100 ppm1 2.197 ppm2 4.019
ASSI {   165}
  (( segid "SEGA" and resid 301  and name HG2  ))
  (( segid "SEGA" and resid 68  and name HA  ))
     6 6 0 peak 165 weight  0.1000E+01 volume 13.12640 ppm1 2.758 ppm2 4.035
ASSI {   175}
  (( segid "SEGA" and resid 217  and name HA  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 175 weight  0.1000E+01 volume 72.56820 ppm1 4.720 ppm2 0.617
ASSI {   205}
  (( segid "SEGA" and resid 218  and name HB2  ))
  (( segid "SEGA" and resid 79  and name HA  ))
     6 6 0 peak 205 weight  0.1000E+01 volume 109.83940 ppm1 2.006 ppm2 4.471
ASSI {   215}
  (( segid "SEGA" and resid 218  and name HG1  ))
  (( segid "SEGA" and resid 79  and name HA  ))
     6 6 0 peak 215 weight  0.1000E+01 volume 136.46940 ppm1 2.087 ppm2 4.471
ASSI {   225}
  (( segid "SEGA" and resid 214  and name HB1  ))
  (( segid "SEGA" and resid 51  and name HD2#  ))
     6 6 0 peak 225 weight  0.1000E+01 volume 21.37770 ppm1 1.915 ppm2 0.030
ASSI {   235}
  (( segid "SEGA" and resid 217  and name HB#  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 235 weight  0.1000E+01 volume 583.22058 ppm1 1.432 ppm2 0.670
ASSI {   245}
  (( segid "SEGA" and resid 301  and name HG2  ))
  (( segid "SEGA" and resid 67  and name HA  ))
     6 6 0 peak 245 weight  0.1000E+01 volume 24.57600 ppm1 2.765 ppm2 4.077
ASSI {   255}
  (( segid "SEGA" and resid 218  and name HG1  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 255 weight  0.1000E+01 volume 39.09760 ppm1 2.094 ppm2 0.646
ASSI {   265}
  (( segid "SEGA" and resid 220  and name HG2#  ))
  (( segid "SEGA" and resid 80  and name HD1#  ))
     6 6 0 peak 265 weight  0.1000E+01 volume 85.19560 ppm1 1.268 ppm2 0.685
ASSI {   275}
  (( segid "SEGA" and resid 214  and name HD2  ))
  (( segid "SEGA" and resid 53  and name HB1  ))
     6 6 0 peak 275 weight  0.1000E+01 volume 48.44000 ppm1 3.271 ppm2 3.480
ASSI {   285}
  (( segid "SEGA" and resid 214  and name HB2  ))
  (( segid "SEGA" and resid 53  and name HB1  ))
     6 6 0 peak 285 weight  0.1000E+01 volume 37.45500 ppm1 1.914 ppm2 3.463
ASSI {   295}
  (( segid "SEGA" and resid 214  and name HG2  ))
  (( segid "SEGA" and resid 53  and name HB1  ))
     6 6 0 peak 295 weight  0.1000E+01 volume 55.47620 ppm1 1.712 ppm2 3.473
ASSI {   305}
  (( segid "SEGA" and resid 214  and name HB1  ))
  (( segid "SEGA" and resid 53  and name HB1  ))
     6 6 0 peak 305 weight  0.1000E+01 volume 96.06260 ppm1 1.849 ppm2 3.462
ASSI {   315}
  (( segid "SEGA" and resid 301  and name HB1  ))
  (( segid "SEGA" and resid 67  and name HD1#  ))
     6 6 0 peak 315 weight  0.1000E+01 volume 23.16090 ppm1 2.130 ppm2 0.856
ASSI {   325}
  (( segid "SEGA" and resid 301  and name HB2  ))
  (( segid "SEGA" and resid 67  and name HD1#  ))
     6 6 0 peak 325 weight  0.1000E+01 volume 36.19680 ppm1 2.196 ppm2 0.849
ASSI {   335}
  (( segid "SEGA" and resid 301  and name HG2  ))
  (( segid "SEGA" and resid 67  and name HD1#  ))
     6 6 0 peak 335 weight  0.1000E+01 volume 1.46160 ppm1 2.754 ppm2 0.848
ASSI {   345}
  (( segid "SEGA" and resid 301  and name HG2  ))
  (( segid "SEGA" and resid 67  and name HG2#  ))
     6 6 0 peak 345 weight  0.1000E+01 volume 2.85390 ppm1 2.752 ppm2 0.826
ASSI {   395}
  (( segid "SEGA" and resid 301  and name HG1  ))
  (( segid "SEGA" and resid 69  and name HB2  ))
     6 6 0 peak 395 weight  0.1000E+01 volume 2.32160 ppm1 3.093 ppm2 2.724
ASSI {   415}
  (( segid "SEGA" and resid 218  and name HG2  ))
  (( segid "SEGA" and resid 79  and name HA  ))
     6 6 0 peak 415 weight  0.1000E+01 volume 132.20100 ppm1 2.357 ppm2 4.463
ASSI {   425}
  (( segid "SEGA" and resid 301  and name HA  ))
  (( segid "SEGA" and resid 12  and name HD1  ))
     6 6 0 peak 425 weight  0.1000E+01 volume 5.63420 ppm1 2.768 ppm2 4.529
ASSI {   445}
  (( segid "SEGA" and resid 218  and name HD1  ))
  (( segid "SEGA" and resid 79  and name HA  ))
     6 6 0 peak 445 weight  0.1000E+01 volume 52.29900 ppm1 3.729 ppm2 4.488
ASSI {   455}
  (( segid "SEGA" and resid 301  and name HG1  ))
  (( segid "SEGA" and resid 67  and name HA  ))
     6 6 0 peak 455 weight  0.1000E+01 volume 26.12970 ppm1 3.095 ppm2 4.075
ASSI {   525}
  (( segid "SEGA" and resid 301  and name H8  ))
  (( segid "SEGA" and resid 69  and name HB2  ))
     6 6 0 peak 525 weight  0.1000E+01 volume 15.27660 ppm1 8.416 ppm2 2.750
ASSI {   535}
  (( segid "SEGA" and resid 214  and name HD2  ))
  (( segid "SEGA" and resid 51  and name HD1#  ))
     6 6 0 peak 535 weight  0.1000E+01 volume 66.47250 ppm1 3.267 ppm2 -0.415
ASSI {   545}
  (( segid "SEGA" and resid 301  and name H8  ))
  (( segid "SEGA" and resid 69  and name HB1  ))
     6 6 0 peak 545 weight  0.1000E+01 volume 45.27660 ppm1 8.416 ppm2 2.840
ASSI {   575}
  (( segid "SEGA" and resid 301  and name H8  ))
  (( segid "SEGA" and resid 69  and name HA  ))
     6 6 0 peak 575 weight  0.1000E+01 volume 67.37060 ppm1 8.418 ppm2 4.99
! F3 (1H): 0.03 ppm
! F2 (X): 0.3 ppm
! F1 (1H): 0.03 ppm
!The last digit in peak ID is the spectrum number
! F1: 0.04
! F2: 0.04
!The last digit in peak ID is the spectrum number

ASSI {    06}
  (( segid "SEGA" and resid 219  and name HN  ))
  (( segid "SEGA" and resid 219  and name HA  ))
     6 6 0 peak 06 weight  0.10000E+01 volume 231.43311 ppm1 8.445 ppm2 4.477
ASSI {    16}
  (( segid "SEGA" and resid 207  and name HN  ))
  (( segid "SEGA" and resid 207  and name HA  ))
     6 6 0 peak 16 weight  0.10000E+01 volume 56.89340 ppm1 8.386 ppm2 4.430
ASSI {    26}
  (( segid "SEGA" and resid 209  and name HN  ))
  (( segid "SEGA" and resid 209  and name HA  ))
     6 6 0 peak 26 weight  0.10000E+01 volume 149.93790 ppm1 8.320 ppm2 4.473
ASSI {    36}
  (( segid "SEGA" and resid 216  and name HN  ))
  (( segid "SEGA" and resid 216  and name HA  ))
     6 6 0 peak 36 weight  0.10000E+01 volume 134.83470 ppm1 8.265 ppm2 4.529
ASSI {    46}
  (( segid "SEGA" and resid 215  and name HN  ))
  (( segid "SEGA" and resid 215  and name HA  ))
     6 6 0 peak 46 weight  0.10000E+01 volume 157.87770 ppm1 8.255 ppm2 4.417
ASSI {    56}
  (( segid "SEGA" and resid 212  and name HN  ))
  (( segid "SEGA" and resid 212  and name HA  ))
     6 6 0 peak 56 weight  0.10000E+01 volume 107.57240 ppm1 8.213 ppm2 4.373
ASSI {    66}
  (( segid "SEGA" and resid 213  and name HN  ))
  (( segid "SEGA" and resid 213  and name HA  ))
     6 6 0 peak 66 weight  0.10000E+01 volume 341.49139 ppm1 8.171 ppm2 4.387
ASSI {    76}
  (( segid "SEGA" and resid 220  and name HN  ))
  (( segid "SEGA" and resid 220  and name HA  ))
     6 6 0 peak 76 weight  0.10000E+01 volume 708.31061 ppm1 8.044 ppm2 4.443
ASSI {    86}
  (( segid "SEGA" and resid 210  and name HN  ))
  (( segid "SEGA" and resid 210  and name HA  ))
     6 6 0 peak 86 weight  0.10000E+01 volume 173.31760 ppm1 8.019 ppm2 4.398
ASSI {    96}
  (( segid "SEGA" and resid 210  and name HN  ))
  (( segid "SEGA" and resid 210  and name HB  ))
     6 6 0 peak 96 weight  0.10000E+01 volume 188.97369 ppm1 8.016 ppm2 4.321
ASSI {   126}
  (( segid "SEGA" and resid 216  and name HN  ))
  (( segid "SEGA" and resid 216  and name HB2  ))
     6 6 0 peak 126 weight  0.10000E+01 volume 225.78740 ppm1 8.255 ppm2 3.937
ASSI {   136}
  (( segid "SEGA" and resid 221  and name HN  ))
  (( segid "SEGA" and resid 221  and name HA2  ))
     6 6 0 peak 136 weight  0.10000E+01 volume 2952.19409 ppm1 7.970 ppm2 3.867
ASSI {   146}
  (( segid "SEGA" and resid 207  and name HN  ))
  (( segid "SEGA" and resid 207  and name HG2  ))
     6 6 0 peak 146 weight  0.10000E+01 volume 230.05409 ppm1 8.386 ppm2 2.447
ASSI {   156}
  (( segid "SEGA" and resid 207  and name HN  ))
  (( segid "SEGA" and resid 207  and name HB2  ))
     6 6 0 peak 156 weight  0.10000E+01 volume 99.59470 ppm1 8.387 ppm2 2.170
ASSI {   166}
  (( segid "SEGA" and resid 207  and name HN  ))
  (( segid "SEGA" and resid 207  and name HB1  ))
     6 6 0 peak 166 weight  0.10000E+01 volume 176.59891 ppm1 8.386 ppm2 2.066
ASSI {   216}
  (( segid "SEGA" and resid 214  and name HN  ))
  (( segid "SEGA" and resid 214  and name HB2  ))
     6 6 0 peak 216 weight  0.10000E+01 volume 146.30130 ppm1 8.195 ppm2 1.949
ASSI {   226}
  (( segid "SEGA" and resid 214  and name HN  ))
  (( segid "SEGA" and resid 214  and name HB1  ))
     6 6 0 peak 226 weight  0.10000E+01 volume 277.71210 ppm1 8.197 ppm2 1.872
ASSI {   236}
  (( segid "SEGA" and resid 215  and name HN  ))
  (( segid "SEGA" and resid 215  and name HB2  ))
     6 6 0 peak 236 weight  0.10000E+01 volume 115.50970 ppm1 8.257 ppm2 1.937
ASSI {   246}
  (( segid "SEGA" and resid 215  and name HN  ))
  (( segid "SEGA" and resid 215  and name HB1  ))
     6 6 0 peak 246 weight  0.10000E+01 volume 147.20000 ppm1 8.258 ppm2 1.864
ASSI {   256}
  (( segid "SEGA" and resid 205  and name HN  ))
  (( segid "SEGA" and resid 205  and name HB2  ))
     6 6 0 peak 256 weight  0.10000E+01 volume 90.99020 ppm1 8.359 ppm2 1.881
ASSI {   266}
  (( segid "SEGA" and resid 205  and name HN  ))
  (( segid "SEGA" and resid 205  and name HG1  ))
     6 6 0 peak 266 weight  0.10000E+01 volume 53.69560 ppm1 8.360 ppm2 1.758
ASSI {   276}
  (( segid "SEGA" and resid 214  and name HN  ))
  (( segid "SEGA" and resid 214  and name HG2  ))
     6 6 0 peak 276 weight  0.10000E+01 volume 257.16251 ppm1 8.199 ppm2 1.738
ASSI {   286}
  (( segid "SEGA" and resid 208  and name HN  ))
  (( segid "SEGA" and resid 208  and name HB2  ))
     6 6 0 peak 286 weight  0.10000E+01 volume 264.02539 ppm1 8.255 ppm2 1.719
ASSI {   306}
  (( segid "SEGA" and resid 206  and name HN  ))
  (( segid "SEGA" and resid 206  and name HB1  ))
     6 6 0 peak 306 weight  0.10000E+01 volume 21.39840 ppm1 8.329 ppm2 1.797
ASSI {   316}
  (( segid "SEGA" and resid 219  and name HN  ))
  (( segid "SEGA" and resid 219  and name HB#  ))
     6 6 0 peak 316 weight  0.10000E+01 volume 278.89810 ppm1 8.445 ppm2 1.520
ASSI {   336}
  (( segid "SEGA" and resid 209  and name HN  ))
  (( segid "SEGA" and resid 209  and name HB#  ))
     6 6 0 peak 336 weight  0.10000E+01 volume 193.86211 ppm1 8.318 ppm2 1.500
ASSI {   346}
  (( segid "SEGA" and resid 217  and name HN  ))
  (( segid "SEGA" and resid 217  and name HB#  ))
     6 6 0 peak 346 weight  0.10000E+01 volume 671.61102 ppm1 8.244 ppm2 1.459
ASSI {   356}
  (( segid "SEGA" and resid 212  and name HN  ))
  (( segid "SEGA" and resid 212  and name HB#  ))
     6 6 0 peak 356 weight  0.10000E+01 volume 940.57062 ppm1 8.211 ppm2 1.471
ASSI {   366}
  (( segid "SEGA" and resid 213  and name HN  ))
  (( segid "SEGA" and resid 213  and name HB#  ))
     6 6 0 peak 366 weight  0.10000E+01 volume 227.61690 ppm1 8.171 ppm2 1.477
ASSI {   386}
  (( segid "SEGA" and resid 210  and name HN  ))
  (( segid "SEGA" and resid 210  and name HG2#  ))
     6 6 0 peak 386 weight  0.10000E+01 volume 111.38220 ppm1 8.008 ppm2 1.300
ASSI {   406}
  (( segid "SEGA" and resid 205  and name HN  ))
  (( segid "SEGA" and resid 205  and name HD2  ))
     6 6 0 peak 406 weight  0.10000E+01 volume 56.96310 ppm1 8.364 ppm2 3.316
ASSI {   416}
  (( segid "SEGA" and resid 214  and name HN  ))
  (( segid "SEGA" and resid 214  and name HD2  ))
     6 6 0 peak 416 weight  0.10000E+01 volume 54.21760 ppm1 8.197 ppm2 3.306
ASSI {   426}
  (( segid "SEGA" and resid 206  and name HN  ))
  (( segid "SEGA" and resid 206  and name HA  ))
     6 6 0 peak 426 weight  0.10000E+01 volume 81.15100 ppm1 8.331 ppm2 4.381
ASSI {   436}
  (( segid "SEGA" and resid 205  and name HN  ))
  (( segid "SEGA" and resid 205  and name HA  ))
     6 6 0 peak 436 weight  0.10000E+01 volume 238.86070 ppm1 8.363 ppm2 4.387
ASSI {   446}
  (( segid "SEGA" and resid 213  and name HN  ))
  (( segid "SEGA" and resid 213  and name HA  ))
     6 6 0 peak 446 weight  0.10000E+01 volume 34.24460 ppm1 8.150 ppm2 4.431
ASSI {   456}
  (( segid "SEGA" and resid 220  and name HN  ))
  (( segid "SEGA" and resid 220  and name HB  ))
     6 6 0 peak 456 weight  0.10000E+01 volume 290.31769 ppm1 8.052 ppm2 4.387
ASSI {   466}
  (( segid "SEGA" and resid 220  and name HN  ))
  (( segid "SEGA" and resid 220  and name HB  ))
     6 6 0 peak 466 weight  0.10000E+01 volume 104.31060 ppm1 8.032 ppm2 1.294
ASSI {   476}
  (( segid "SEGA" and resid 214  and name HN  ))
  (( segid "SEGA" and resid 214  and name HA  ))
     6 6 0 peak 476 weight  0.10000E+01 volume 109.03990 ppm1 8.198 ppm2 4.415
ASSI {   486}
  (( segid "SEGA" and resid 206  and name HN  ))
  (( segid "SEGA" and resid 206  and name HB2  ))
     6 6 0 peak 486 weight  0.10000E+01 volume 57.89380 ppm1 8.328 ppm2 1.872
ASSI {   496}
  (( segid "SEGA" and resid 208  and name HN  ))
  (( segid "SEGA" and resid 208  and name HA  ))
     6 6 0 peak 496 weight  0.10000E+01 volume 74.06470 ppm1 8.255 ppm2 4.425
ASSI {   506}
  (( segid "SEGA" and resid 208  and name HN  ))
  (( segid "SEGA" and resid 208  and name HD1#  ))
     6 6 0 peak 506 weight  0.10000E+01 volume 46.33090 ppm1 8.255 ppm2 1.016
ASSI {   516}
  (( segid "SEGA" and resid 208  and name HN  ))
  (( segid "SEGA" and resid 208  and name HD2#  ))
     6 6 0 peak 516 weight  0.10000E+01 volume 28.06880 ppm1 8.255 ppm2 0.958
ASSI {   526}
  (( segid "SEGA" and resid 218  and name HD2  ))
  (( segid "SEGA" and resid 218  and name HD1  ))
     6 6 0 peak 526 weight  0.10000E+01 volume 514.99652 ppm1 3.883 ppm2 3.743
ASSI {   536}
  (( segid "SEGA" and resid 218  and name HD1  ))
  (( segid "SEGA" and resid 218  and name HD2  ))
     6 6 0 peak 536 weight  0.10000E+01 volume 367.92120 ppm1 3.746 ppm2 3.875
ASSI {   586}
  (( segid "SEGA" and resid 218  and name HD2  ))
  (( segid "SEGA" and resid 218  and name HG2  ))
     6 6 0 peak 586 weight  0.10000E+01 volume 421.56799 ppm1 3.879 ppm2 2.394
ASSI {   596}
  (( segid "SEGA" and resid 218  and name HD1  ))
  (( segid "SEGA" and resid 218  and name HG2  ))
     6 6 0 peak 596 weight  0.10000E+01 volume 360.45370 ppm1 3.737 ppm2 2.392
ASSI {   606}
  (( segid "SEGA" and resid 218  and name HD2  ))
  (( segid "SEGA" and resid 218  and name HG1  ))
     6 6 0 peak 606 weight  0.10000E+01 volume 561.13373 ppm1 3.882 ppm2 2.118
ASSI {   616}
  (( segid "SEGA" and resid 218  and name HD1  ))
  (( segid "SEGA" and resid 218  and name HG1  ))
     6 6 0 peak 616 weight  0.10000E+01 volume 298.52121 ppm1 3.739 ppm2 2.113
ASSI {   626}
  (( segid "SEGA" and resid 218  and name HD1  ))
  (( segid "SEGA" and resid 218  and name HB2  ))
     6 6 0 peak 626 weight  0.10000E+01 volume 491.56500 ppm1 3.738 ppm2 2.003
ASSI {   636}
  (( segid "SEGA" and resid 218  and name HD2  ))
  (( segid "SEGA" and resid 218  and name HB2  ))
     6 6 0 peak 636 weight  0.10000E+01 volume 298.03720 ppm1 3.873 ppm2 2.010
ASSI {   646}
  (( segid "SEGA" and resid 218  and name HD1  ))
  (( segid "SEGA" and resid 218  and name HA  ))
     6 6 0 peak 646 weight  0.10000E+01 volume 182.00160 ppm1 3.743 ppm2 4.525
ASSI {   656}
  (( segid "SEGA" and resid 218  and name HD2  ))
  (( segid "SEGA" and resid 218  and name HA  ))
     6 6 0 peak 656 weight  0.10000E+01 volume 114.86830 ppm1 3.879 ppm2 4.526
ASSI {   666}
  (( segid "SEGA" and resid 206  and name HE2  ))
  (( segid "SEGA" and resid 206  and name HG2  ))
     6 6 0 peak 666 weight  0.10000E+01 volume 2827.20508 ppm1 3.094 ppm2 1.533
ASSI {   676}
  (( segid "SEGA" and resid 206  and name HE2  ))
  (( segid "SEGA" and resid 206  and name HB2  ))
     6 6 0 peak 676 weight  0.10000E+01 volume 577.83588 ppm1 3.094 ppm2 1.916
ASSI {   726}
  (( segid "SEGA" and resid 206  and name HE2  ))
  (( segid "SEGA" and resid 206  and name HB1  ))
     6 6 0 peak 726 weight  0.10000E+01 volume 2225.75757 ppm1 3.093 ppm2 1.787
ASSI {   816}
  (( segid "SEGA" and resid 218  and name HG1  ))
  (( segid "SEGA" and resid 218  and name HA  ))
     6 6 0 peak 816 weight  0.10000E+01 volume 959.15912 ppm1 2.116 ppm2 4.525
ASSI {   826}
  (( segid "SEGA" and resid 218  and name HB2  ))
  (( segid "SEGA" and resid 218  and name HA  ))
     6 6 0 peak 826 weight  0.10000E+01 volume 454.32880 ppm1 2.002 ppm2 4.519
ASSI {   886}
  (( segid "SEGA" and resid 218  and name HG1  ))
  (( segid "SEGA" and resid 218  and name HD2  ))
     6 6 0 peak 886 weight  0.10000E+01 volume 1119.34399 ppm1 2.115 ppm2 3.883
ASSI {   906}
  (( segid "SEGA" and resid 218  and name HB2  ))
  (( segid "SEGA" and resid 218  and name HD2  ))
     6 6 0 peak 906 weight  0.10000E+01 volume 663.71448 ppm1 2.004 ppm2 3.879
ASSI {   916}
  (( segid "SEGA" and resid 218  and name HB2  ))
  (( segid "SEGA" and resid 218  and name HD1  ))
     6 6 0 peak 916 weight  0.10000E+01 volume 764.14062 ppm1 2.004 ppm2 3.739
ASSI {   926}
  (( segid "SEGA" and resid 218  and name HG1  ))
  (( segid "SEGA" and resid 218  and name HD1  ))
     6 6 0 peak 926 weight  0.10000E+01 volume 1958.82703 ppm1 2.116 ppm2 3.742
ASSI {   956}
  (( segid "SEGA" and resid 207  and name HB2  ))
  (( segid "SEGA" and resid 207  and name HG2  ))
     6 6 0 peak 956 weight  0.10000E+01 volume 756.07422 ppm1 2.170 ppm2 2.451
ASSI {   966}
  (( segid "SEGA" and resid 218  and name HG1  ))
  (( segid "SEGA" and resid 218  and name HG2  ))
     6 6 0 peak 966 weight  0.10000E+01 volume 703.26001 ppm1 2.117 ppm2 2.392
ASSI {   976}
  (( segid "SEGA" and resid 207  and name HB1  ))
  (( segid "SEGA" and resid 207  and name HG2  ))
     6 6 0 peak 976 weight  0.10000E+01 volume 637.43762 ppm1 2.067 ppm2 2.443
ASSI {   996}
  (( segid "SEGA" and resid 218  and name HG2  ))
  (( segid "SEGA" and resid 218  and name HG1  ))
     6 6 0 peak 996 weight  0.10000E+01 volume 543.53802 ppm1 2.396 ppm2 2.115
ASSI {  1016}
  (( segid "SEGA" and resid 218  and name HG1  ))
  (( segid "SEGA" and resid 218  and name HB2  ))
     6 6 0 peak 1016 weight  0.10000E+01 volume 1157.95679 ppm1 2.117 ppm2 1.996
ASSI {  1026}
  (( segid "SEGA" and resid 218  and name HB2  ))
  (( segid "SEGA" and resid 218  and name HG1  ))
     6 6 0 peak 1026 weight  0.10000E+01 volume 1597.38525 ppm1 1.987 ppm2 2.117
ASSI {  1036}
  (( segid "SEGA" and resid 207  and name HB2  ))
  (( segid "SEGA" and resid 207  and name HB1  ))
     6 6 0 peak 1036 weight  0.10000E+01 volume 606.22638 ppm1 2.153 ppm2 2.069
ASSI {  1346}
  (( segid "SEGA" and resid 205  and name HN  ))
  (( segid "SEGA" and resid 205  and name HB1  ))
     6 6 0 peak 1346 weight  0.10000E+01 volume 46.19260 ppm1 8.360 ppm2 1.933
ASSI {  1366}
  (( segid "SEGA" and resid 217  and name HN  ))
  (( segid "SEGA" and resid 217  and name HA  ))
     6 6 0 peak 1366 weight  0.10000E+01 volume 304.75220 ppm1 8.247 ppm2 4.708
! F3 (1H): 0.04 ppm
! F2 (X): 0.3 ppm
! F1 (1H): 0.04 ppm
!The last digit in peak ID is the spectrum number

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1   0.964 -11.533  -6.249
    2   2H    MET   1          2H        MET   1   0.644 -10.982  -4.675
    3   3H    MET   1          3H        MET   1   1.299  -9.922  -5.829
    4    HA   MET   1           HA       MET   1  -1.075  -9.494  -5.506
    5   1HB   MET   1          1HB       MET   1   0.446  -9.997  -7.868
    6   2HB   MET   1          2HB       MET   1  -1.197 -10.559  -8.181
    7   1HG   MET   1          1HG       MET   1  -1.254  -8.269  -8.777
    8   2HG   MET   1          2HG       MET   1  -1.949  -8.304  -7.156
    9   1HE   MET   1          1HE       MET   1  -0.616  -5.111  -7.260
   10   2HE   MET   1          2HE       MET   1  -1.207  -6.100  -8.595
   11   3HE   MET   1          3HE       MET   1   0.439  -5.466  -8.629
   12    H    PHE   2           H        PHE   2  -0.826 -12.474  -7.476
   13    HA   PHE   2           HA       PHE   2  -3.469 -13.361  -6.711
   14   1HB   PHE   2          1HB       PHE   2  -2.723 -15.416  -7.952
   15   2HB   PHE   2          2HB       PHE   2  -2.424 -13.928  -8.849
   16    HD1  PHE   2           HD1      PHE   2  -0.792 -16.382  -6.548
   17    HD2  PHE   2           HD2      PHE   2  -0.246 -13.370  -9.562
   18    HE1  PHE   2           HE1      PHE   2   1.622 -16.936  -6.665
   19    HE2  PHE   2           HE2      PHE   2   2.169 -13.925  -9.678
   20    HZ   PHE   2           HZ       PHE   2   3.103 -15.708  -8.230
   21    H    ASN   3           H        ASN   3  -4.049 -14.970  -5.226
   22    HA   ASN   3           HA       ASN   3  -1.904 -16.225  -3.580
   23   1HB   ASN   3          1HB       ASN   3  -3.716 -14.049  -2.854
   24   2HB   ASN   3          2HB       ASN   3  -3.897 -15.429  -1.772
   25   1HD2  ASN   3          1HD2      ASN   3  -1.456 -13.167  -3.102
   26   2HD2  ASN   3          2HD2      ASN   3  -0.348 -13.366  -1.832
   27    H    ASP   4           H        ASP   4  -2.554 -18.233  -2.691
   28    HA   ASP   4           HA       ASP   4  -4.453 -19.807  -4.014
   29   1HB   ASP   4          1HB       ASP   4  -4.199 -21.280  -2.010
   30   2HB   ASP   4          2HB       ASP   4  -2.651 -20.633  -2.552
   31    H    ARG   5           H        ARG   5  -4.994 -17.457  -1.481
   32    HA   ARG   5           HA       ARG   5  -7.686 -18.505  -0.847
   33   1HB   ARG   5          1HB       ARG   5  -5.993 -16.148   0.048
   34   2HB   ARG   5          2HB       ARG   5  -7.615 -16.449   0.669
   35   1HG   ARG   5          1HG       ARG   5  -6.397 -18.924   0.906
   36   2HG   ARG   5          2HG       ARG   5  -5.093 -17.805   1.305
   37   1HD   ARG   5          1HD       ARG   5  -7.705 -17.133   2.528
   38   2HD   ARG   5          2HD       ARG   5  -6.965 -18.635   3.115
   39    HE   ARG   5           HE       ARG   5  -5.901 -15.934   3.491
   40   1HH1  ARG   5          1HH1      ARG   5  -5.147 -19.323   3.227
   41   2HH1  ARG   5          2HH1      ARG   5  -3.668 -19.174   4.109
   42   1HH2  ARG   5          1HH2      ARG   5  -3.975 -15.768   4.634
   43   2HH2  ARG   5          2HH2      ARG   5  -3.007 -17.179   4.900
   44    H    VAL   6           H        VAL   6  -6.215 -15.735  -2.540
   45    HA   VAL   6           HA       VAL   6  -8.792 -15.270  -3.934
   46    HB   VAL   6           HB       VAL   6  -8.770 -12.882  -3.226
   47   1HG1  VAL   6          1HG1      VAL   6  -9.598 -13.236  -1.016
   48   2HG1  VAL   6          2HG1      VAL   6  -8.565 -14.646  -0.778
   49   3HG1  VAL   6          3HG1      VAL   6  -9.932 -14.731  -1.889
   50   1HG2  VAL   6          1HG2      VAL   6  -7.126 -12.771  -1.025
   51   2HG2  VAL   6          2HG2      VAL   6  -6.717 -12.126  -2.615
   52   3HG2  VAL   6          3HG2      VAL   6  -6.165 -13.734  -2.147
   53    H    ILE   7           H        ILE   7  -8.274 -13.009  -5.293
   54    HA   ILE   7           HA       ILE   7  -5.496 -12.960  -6.280
   55    HB   ILE   7           HB       ILE   7  -6.472 -14.886  -7.441
   56   1HG1  ILE   7          1HG1      ILE   7  -6.519 -12.564  -9.378
   57   2HG1  ILE   7          2HG1      ILE   7  -5.021 -13.183  -8.683
   58   1HG2  ILE   7          1HG2      ILE   7  -8.624 -14.947  -8.151
   59   2HG2  ILE   7          2HG2      ILE   7  -8.490 -13.376  -8.939
   60   3HG2  ILE   7          3HG2      ILE   7  -8.846 -13.469  -7.215
   61   1HD1  ILE   7          1HD1      ILE   7  -6.763 -14.360 -10.754
   62   2HD1  ILE   7          2HD1      ILE   7  -6.236 -15.498  -9.514
   63   3HD1  ILE   7          3HD1      ILE   7  -5.042 -14.607 -10.458
   64    H    VAL   8           H        VAL   8  -5.214 -11.193  -7.893
   65    HA   VAL   8           HA       VAL   8  -7.131  -8.985  -7.364
   66    HB   VAL   8           HB       VAL   8  -4.704  -8.703  -6.955
   67   1HG1  VAL   8          1HG1      VAL   8  -3.174  -9.524  -8.390
   68   2HG1  VAL   8          2HG1      VAL   8  -3.837  -8.557  -9.707
   69   3HG1  VAL   8          3HG1      VAL   8  -4.495 -10.158  -9.370
   70   1HG2  VAL   8          1HG2      VAL   8  -5.732  -7.128  -9.338
   71   2HG2  VAL   8          2HG2      VAL   8  -4.381  -6.649  -8.309
   72   3HG2  VAL   8          3HG2      VAL   8  -6.011  -6.736  -7.641
   73    H    LYS   9           H        LYS   9  -8.410  -8.130  -8.954
   74    HA   LYS   9           HA       LYS   9  -7.876  -8.858 -11.795
   75   1HB   LYS   9          1HB       LYS   9 -10.490  -9.113 -10.282
   76   2HB   LYS   9          2HB       LYS   9 -10.292  -9.400 -12.009
   77   1HG   LYS   9          1HG       LYS   9  -8.295 -10.960 -10.933
   78   2HG   LYS   9          2HG       LYS   9  -9.574 -11.116  -9.731
   79   1HD   LYS   9          1HD       LYS   9 -11.161 -11.796 -11.468
   80   2HD   LYS   9          2HD       LYS   9  -9.932 -11.559 -12.710
   81   1HE   LYS   9          1HE       LYS   9  -8.513 -13.280 -11.456
   82   2HE   LYS   9          2HE       LYS   9  -9.968 -13.648 -10.511
   83   1HZ   LYS   9          1HZ       LYS   9  -9.762 -15.025 -12.543
   84   2HZ   LYS   9          2HZ       LYS   9  -9.843 -13.614 -13.484
   85   3HZ   LYS   9          3HZ       LYS   9 -11.171 -14.077 -12.533
   86    H    LYS  10           H        LYS  10  -9.130  -5.581 -12.634
   87    HA   LYS  10           HA       LYS  10  -8.377  -6.634 -14.566
   88   1HB   LYS  10          1HB       LYS  10  -6.662  -7.488 -12.289
   89   2HB   LYS  10          2HB       LYS  10  -6.462  -8.385 -13.795
   90   1HG   LYS  10          1HG       LYS  10  -6.338  -5.366 -13.511
   91   2HG   LYS  10          2HG       LYS  10  -4.943  -6.430 -13.692
   92   1HD   LYS  10          1HD       LYS  10  -6.359  -7.251 -15.819
   93   2HD   LYS  10          2HD       LYS  10  -6.977  -5.604 -15.709
   94   1HE   LYS  10          1HE       LYS  10  -5.087  -5.248 -17.035
   95   2HE   LYS  10          2HE       LYS  10  -4.375  -5.041 -15.423
   96   1HZ   LYS  10          1HZ       LYS  10  -3.199  -6.686 -16.886
   97   2HZ   LYS  10          2HZ       LYS  10  -4.584  -7.665 -16.803
   98   3HZ   LYS  10          3HZ       LYS  10  -3.711  -7.309 -15.391
   99    H    SER  11           H        SER  11 -10.709  -7.628 -14.325
  100    HA   SER  11           HA       SER  11 -10.450 -10.618 -14.328
  101   1HB   SER  11          1HB       SER  11 -13.093 -10.150 -13.900
  102   2HB   SER  11          2HB       SER  11 -11.927 -10.264 -12.586
  103    HG   SER  11           HG       SER  11 -12.276  -8.253 -12.175
  104    HA   PRO  12           HA       PRO  12 -11.998 -10.716 -18.431
  105   1HB   PRO  12          1HB       PRO  12 -14.116 -12.509 -18.298
  106   2HB   PRO  12          2HB       PRO  12 -12.410 -12.985 -18.357
  107   1HG   PRO  12          1HG       PRO  12 -14.258 -12.816 -16.035
  108   2HG   PRO  12          2HG       PRO  12 -12.965 -13.976 -16.367
  109   1HD   PRO  12          1HD       PRO  12 -12.717 -11.930 -14.594
  110   2HD   PRO  12          2HD       PRO  12 -11.344 -12.610 -15.491
  111    H    LEU  13           H        LEU  13 -14.243  -9.998 -15.861
  112    HA   LEU  13           HA       LEU  13 -15.720  -8.175 -17.682
  113   1HB   LEU  13          1HB       LEU  13 -16.634 -10.749 -16.624
  114   2HB   LEU  13          2HB       LEU  13 -17.717  -9.431 -16.178
  115    HG   LEU  13           HG       LEU  13 -16.750  -9.485 -18.996
  116   1HD1  LEU  13          1HD1      LEU  13 -19.082 -11.222 -18.229
  117   2HD1  LEU  13          2HD1      LEU  13 -17.448 -11.883 -18.189
  118   3HD1  LEU  13          3HD1      LEU  13 -18.109 -11.257 -19.699
  119   1HD2  LEU  13          1HD2      LEU  13 -19.597  -9.180 -18.143
  120   2HD2  LEU  13          2HD2      LEU  13 -18.697  -8.304 -19.382
  121   3HD2  LEU  13          3HD2      LEU  13 -18.466  -7.909 -17.678
  122    H    GLY  14           H        GLY  14 -13.884  -7.853 -15.345
  123   1HA   GLY  14          1HA       GLY  14 -15.745  -6.260 -13.648
  124   2HA   GLY  14          2HA       GLY  14 -14.595  -7.350 -12.873
  125    H    GLY  15           H        GLY  15 -14.723  -4.419 -12.652
  126   1HA   GLY  15          1HA       GLY  15 -12.619  -3.242 -14.239
  127   2HA   GLY  15          2HA       GLY  15 -13.291  -2.557 -12.760
  128    H    TYR  16           H        TYR  16 -11.792  -2.374 -11.166
  129    HA   TYR  16           HA       TYR  16  -9.549  -4.364 -11.111
  130   1HB   TYR  16          1HB       TYR  16  -9.806  -1.420 -10.526
  131   2HB   TYR  16          2HB       TYR  16  -8.501  -2.346  -9.786
  132    HD1  TYR  16           HD1      TYR  16  -6.579  -2.959 -11.030
  133    HD2  TYR  16           HD2      TYR  16 -10.063  -1.487 -13.065
  134    HE1  TYR  16           HE1      TYR  16  -5.295  -2.850 -13.149
  135    HE2  TYR  16           HE2      TYR  16  -8.779  -1.378 -15.184
  136    HH   TYR  16           HH       TYR  16  -6.060  -1.122 -15.671
  137    H    GLY  17           H        GLY  17 -11.571  -5.454  -9.844
  138   1HA   GLY  17          1HA       GLY  17 -11.444  -4.616  -6.977
  139   2HA   GLY  17          2HA       GLY  17 -12.748  -5.574  -7.680
  140    H    VAL  18           H        VAL  18 -12.021  -6.956  -5.673
  141    HA   VAL  18           HA       VAL  18  -9.638  -8.626  -6.382
  142    HB   VAL  18           HB       VAL  18 -11.273  -8.162  -3.868
  143   1HG1  VAL  18          1HG1      VAL  18 -10.630 -10.519  -3.888
  144   2HG1  VAL  18          2HG1      VAL  18  -9.604  -9.653  -2.745
  145   3HG1  VAL  18          3HG1      VAL  18  -8.978 -10.092  -4.334
  146   1HG2  VAL  18          1HG2      VAL  18  -9.646  -6.418  -4.470
  147   2HG2  VAL  18          2HG2      VAL  18  -8.376  -7.635  -4.586
  148   3HG2  VAL  18          3HG2      VAL  18  -9.122  -7.285  -3.026
  149    H    PHE  19           H        PHE  19  -9.873 -10.958  -6.364
  150    HA   PHE  19           HA       PHE  19 -12.683 -11.869  -6.891
  151   1HB   PHE  19          1HB       PHE  19 -10.077 -12.199  -8.205
  152   2HB   PHE  19          2HB       PHE  19 -10.911 -13.732  -7.960
  153    HD1  PHE  19           HD1      PHE  19 -12.198 -14.409  -9.771
  154    HD2  PHE  19           HD2      PHE  19 -11.915 -10.221  -8.856
  155    HE1  PHE  19           HE1      PHE  19 -13.713 -13.892 -11.665
  156    HE2  PHE  19           HE2      PHE  19 -13.429  -9.705 -10.751
  157    HZ   PHE  19           HZ       PHE  19 -14.328 -11.541 -12.155
  158    H    ALA  20           H        ALA  20 -13.470 -13.348  -5.452
  159    HA   ALA  20           HA       ALA  20 -11.657 -14.465  -3.403
  160   1HB   ALA  20          1HB       ALA  20 -13.636 -13.695  -2.450
  161   2HB   ALA  20          2HB       ALA  20 -14.090 -15.372  -2.745
  162   3HB   ALA  20          3HB       ALA  20 -14.598 -14.111  -3.868
  163    H    ARG  21           H        ARG  21 -10.496 -16.085  -4.601
  164    HA   ARG  21           HA       ARG  21 -11.644 -18.052  -6.322
  165   1HB   ARG  21          1HB       ARG  21  -9.158 -17.341  -5.417
  166   2HB   ARG  21          2HB       ARG  21  -9.415 -18.839  -4.524
  167   1HG   ARG  21          1HG       ARG  21  -9.526 -20.131  -6.455
  168   2HG   ARG  21          2HG       ARG  21 -10.053 -18.775  -7.453
  169   1HD   ARG  21          1HD       ARG  21  -7.858 -17.873  -7.585
  170   2HD   ARG  21          2HD       ARG  21  -7.290 -18.845  -6.213
  171    HE   ARG  21           HE       ARG  21  -8.309 -20.569  -8.278
  172   1HH1  ARG  21          1HH1      ARG  21  -5.609 -18.514  -7.499
  173   2HH1  ARG  21          2HH1      ARG  21  -4.502 -19.410  -8.480
  174   1HH2  ARG  21          1HH2      ARG  21  -6.854 -21.716  -9.544
  175   2HH2  ARG  21          2HH2      ARG  21  -5.199 -21.210  -9.630
  176    H    LYS  22           H        LYS  22 -11.691 -17.659  -2.865
  177    HA   LYS  22           HA       LYS  22 -12.530 -20.431  -2.328
  178   1HB   LYS  22          1HB       LYS  22 -11.425 -18.170  -0.966
  179   2HB   LYS  22          2HB       LYS  22 -12.856 -18.708  -0.101
  180   1HG   LYS  22          1HG       LYS  22 -11.404 -20.205   0.838
  181   2HG   LYS  22          2HG       LYS  22 -11.642 -21.092  -0.669
  182   1HD   LYS  22          1HD       LYS  22  -9.580 -20.511  -1.491
  183   2HD   LYS  22          2HD       LYS  22  -9.599 -18.931  -0.710
  184   1HE   LYS  22          1HE       LYS  22  -8.573 -19.726   1.174
  185   2HE   LYS  22          2HE       LYS  22  -9.510 -21.232   1.156
  186   1HZ   LYS  22          1HZ       LYS  22  -8.190 -21.962  -0.754
  187   2HZ   LYS  22          2HZ       LYS  22  -7.198 -21.668   0.593
  188   3HZ   LYS  22          3HZ       LYS  22  -7.266 -20.539  -0.674
  189    H    SER  23           H        SER  23 -15.987 -19.567  -1.351
  190    HA   SER  23           HA       SER  23 -13.576 -21.218  -0.774
  191   1HB   SER  23          1HB       SER  23 -15.774 -22.221  -1.447
  192   2HB   SER  23          2HB       SER  23 -15.258 -22.753   0.155
  193    HG   SER  23           HG       SER  23 -16.759 -21.527   1.078
  194    H    PHE  24           H        PHE  24 -15.518 -18.695   0.596
  195    HA   PHE  24           HA       PHE  24 -14.033 -18.986   3.174
  196   1HB   PHE  24          1HB       PHE  24 -15.263 -16.664   1.662
  197   2HB   PHE  24          2HB       PHE  24 -14.646 -16.504   3.306
  198    HD1  PHE  24           HD1      PHE  24 -13.745 -15.560   0.257
  199    HD2  PHE  24           HD2      PHE  24 -12.264 -18.197   3.308
  200    HE1  PHE  24           HE1      PHE  24 -11.445 -15.299  -0.633
  201    HE2  PHE  24           HE2      PHE  24  -9.965 -17.936   2.417
  202    HZ   PHE  24           HZ       PHE  24  -9.555 -16.487   0.447
  203    H    GLU  25           H        GLU  25 -15.276 -18.271   5.138
  204    HA   GLU  25           HA       GLU  25 -18.156 -19.065   4.913
  205   1HB   GLU  25          1HB       GLU  25 -15.919 -19.669   6.706
  206   2HB   GLU  25          2HB       GLU  25 -17.362 -19.184   7.585
  207   1HG   GLU  25          1HG       GLU  25 -18.638 -20.921   6.628
  208   2HG   GLU  25          2HG       GLU  25 -17.454 -21.226   5.364
  209    H    LYS  26           H        LYS  26 -19.057 -18.107   7.347
  210    HA   LYS  26           HA       LYS  26 -19.203 -15.214   6.823
  211   1HB   LYS  26          1HB       LYS  26 -20.983 -17.070   7.607
  212   2HB   LYS  26          2HB       LYS  26 -20.441 -16.546   9.199
  213   1HG   LYS  26          1HG       LYS  26 -21.044 -14.259   8.737
  214   2HG   LYS  26          2HG       LYS  26 -21.353 -14.629   7.041
  215   1HD   LYS  26          1HD       LYS  26 -23.328 -15.801   7.523
  216   2HD   LYS  26          2HD       LYS  26 -22.866 -16.076   9.203
  217   1HE   LYS  26          1HE       LYS  26 -22.928 -13.255   8.829
  218   2HE   LYS  26          2HE       LYS  26 -24.418 -13.907   8.123
  219   1HZ   LYS  26          1HZ       LYS  26 -24.823 -13.670  10.433
  220   2HZ   LYS  26          2HZ       LYS  26 -23.335 -14.376  10.849
  221   3HZ   LYS  26          3HZ       LYS  26 -24.570 -15.329  10.175
  222    H    GLY  27           H        GLY  27 -17.181 -14.337   7.472
  223   1HA   GLY  27          1HA       GLY  27 -16.243 -13.106   9.396
  224   2HA   GLY  27          2HA       GLY  27 -16.656 -14.489  10.409
  225    H    GLU  28           H        GLU  28 -14.912 -14.158   7.295
  226    HA   GLU  28           HA       GLU  28 -12.678 -15.733   8.535
  227   1HB   GLU  28          1HB       GLU  28 -14.202 -15.879   5.991
  228   2HB   GLU  28          2HB       GLU  28 -12.461 -16.114   5.835
  229   1HG   GLU  28          1HG       GLU  28 -14.252 -17.624   7.763
  230   2HG   GLU  28          2HG       GLU  28 -13.654 -18.259   6.230
  231    H    LEU  29           H        LEU  29 -10.819 -14.555   8.700
  232    HA   LEU  29           HA       LEU  29 -10.510 -11.927   7.550
  233   1HB   LEU  29          1HB       LEU  29  -9.459 -13.150   9.640
  234   2HB   LEU  29          2HB       LEU  29  -8.239 -13.677   8.482
  235    HG   LEU  29           HG       LEU  29  -7.544 -11.583   9.575
  236   1HD1  LEU  29          1HD1      LEU  29  -6.833 -10.507   7.626
  237   2HD1  LEU  29          2HD1      LEU  29  -8.366 -10.782   6.798
  238   3HD1  LEU  29          3HD1      LEU  29  -7.232 -12.115   7.020
  239   1HD2  LEU  29          1HD2      LEU  29  -9.409  -9.782   8.324
  240   2HD2  LEU  29          2HD2      LEU  29  -9.039  -9.967  10.039
  241   3HD2  LEU  29          3HD2      LEU  29 -10.296 -10.956   9.296
  242    H    VAL  30           H        VAL  30 -10.647 -12.037   5.265
  243    HA   VAL  30           HA       VAL  30  -9.292 -13.998   3.649
  244    HB   VAL  30           HB       VAL  30 -10.292 -11.184   3.065
  245   1HG1  VAL  30          1HG1      VAL  30  -8.701 -12.713   1.447
  246   2HG1  VAL  30          2HG1      VAL  30  -9.884 -11.547   0.852
  247   3HG1  VAL  30          3HG1      VAL  30 -10.306 -13.257   0.957
  248   1HG2  VAL  30          1HG2      VAL  30 -11.754 -13.692   2.331
  249   2HG2  VAL  30          2HG2      VAL  30 -12.396 -12.094   2.714
  250   3HG2  VAL  30          3HG2      VAL  30 -11.822 -13.147   4.007
  251    H    GLU  31           H        GLU  31  -8.430 -10.702   4.701
  252    HA   GLU  31           HA       GLU  31  -5.585 -11.271   4.448
  253   1HB   GLU  31          1HB       GLU  31  -6.855 -10.701   2.101
  254   2HB   GLU  31          2HB       GLU  31  -6.419  -9.074   2.624
  255   1HG   GLU  31          1HG       GLU  31  -4.133 -10.598   3.136
  256   2HG   GLU  31          2HG       GLU  31  -4.713 -11.195   1.582
  257    H    GLU  32           H        GLU  32  -4.290  -9.293   5.023
  258    HA   GLU  32           HA       GLU  32  -5.792  -7.012   6.150
  259   1HB   GLU  32          1HB       GLU  32  -4.906  -7.453   8.422
  260   2HB   GLU  32          2HB       GLU  32  -5.878  -8.814   7.862
  261   1HG   GLU  32          1HG       GLU  32  -3.632  -9.784   6.994
  262   2HG   GLU  32          2HG       GLU  32  -2.876  -8.602   8.062
  263    H    CYS  33           H        CYS  33  -4.483  -5.173   6.250
  264    HA   CYS  33           HA       CYS  33  -1.534  -5.507   5.976
  265   1HB   CYS  33          1HB       CYS  33  -3.466  -4.159   4.076
  266   2HB   CYS  33          2HB       CYS  33  -1.756  -3.726   4.102
  267    HG   CYS  33           HG       CYS  33  -1.337  -5.743   2.740
  268    H    LEU  34           H        LEU  34  -0.657  -3.022   5.815
  269    HA   LEU  34           HA       LEU  34  -1.732  -1.709   8.251
  270   1HB   LEU  34          1HB       LEU  34   0.808  -2.152   7.002
  271   2HB   LEU  34          2HB       LEU  34   0.553  -0.410   7.097
  272    HG   LEU  34           HG       LEU  34   0.014  -0.637   9.508
  273   1HD1  LEU  34          1HD1      LEU  34   1.080  -3.425   9.521
  274   2HD1  LEU  34          2HD1      LEU  34  -0.587  -3.202   8.991
  275   3HD1  LEU  34          3HD1      LEU  34  -0.094  -2.667  10.597
  276   1HD2  LEU  34          1HD2      LEU  34   2.288  -1.075  10.265
  277   2HD2  LEU  34          2HD2      LEU  34   2.356  -0.221   8.723
  278   3HD2  LEU  34          3HD2      LEU  34   2.646  -1.960   8.782
  279    H    CYS  35           H        CYS  35  -1.686   0.786   8.143
  280    HA   CYS  35           HA       CYS  35  -2.399   1.868   5.465
  281   1HB   CYS  35          1HB       CYS  35  -4.150   1.724   7.936
  282   2HB   CYS  35          2HB       CYS  35  -4.475   2.855   6.623
  283    HG   CYS  35           HG       CYS  35  -4.215   0.253   5.296
  284    H    ILE  36           H        ILE  36  -3.015   4.374   5.939
  285    HA   ILE  36           HA       ILE  36  -0.943   5.402   7.859
  286    HB   ILE  36           HB       ILE  36  -1.853   6.527   5.185
  287   1HG1  ILE  36          1HG1      ILE  36   0.689   5.047   5.930
  288   2HG1  ILE  36          2HG1      ILE  36  -0.624   4.392   4.952
  289   1HG2  ILE  36          1HG2      ILE  36  -0.937   8.404   6.088
  290   2HG2  ILE  36          2HG2      ILE  36   0.602   7.605   5.764
  291   3HG2  ILE  36          3HG2      ILE  36  -0.125   7.502   7.368
  292   1HD1  ILE  36          1HD1      ILE  36   0.445   7.011   4.064
  293   2HD1  ILE  36          2HD1      ILE  36  -0.037   5.610   3.110
  294   3HD1  ILE  36          3HD1      ILE  36   1.543   5.642   3.892
  295    H    VAL  37           H        VAL  37  -1.577   7.154   9.159
  296    HA   VAL  37           HA       VAL  37  -4.446   7.996   8.896
  297    HB   VAL  37           HB       VAL  37  -2.658   7.830  11.352
  298   1HG1  VAL  37          1HG1      VAL  37  -4.706   9.448  11.223
  299   2HG1  VAL  37          2HG1      VAL  37  -4.555   8.385  12.623
  300   3HG1  VAL  37          3HG1      VAL  37  -5.666   7.970  11.316
  301   1HG2  VAL  37          1HG2      VAL  37  -4.318   5.848   9.933
  302   2HG2  VAL  37          2HG2      VAL  37  -4.638   5.958  11.664
  303   3HG2  VAL  37          3HG2      VAL  37  -3.010   5.597  11.089
  304    H    ARG  38           H        ARG  38  -4.260   9.962   7.817
  305    HA   ARG  38           HA       ARG  38  -2.481  12.017   9.088
  306   1HB   ARG  38          1HB       ARG  38  -3.258  11.725   6.166
  307   2HB   ARG  38          2HB       ARG  38  -2.102  12.877   6.827
  308   1HG   ARG  38          1HG       ARG  38  -1.754   9.887   7.138
  309   2HG   ARG  38          2HG       ARG  38  -1.112  10.772   5.754
  310   1HD   ARG  38          1HD       ARG  38  -0.173  12.352   7.734
  311   2HD   ARG  38          2HD       ARG  38  -0.221  10.804   8.598
  312    HE   ARG  38           HE       ARG  38   0.859  10.307   6.022
  313   1HH1  ARG  38          1HH1      ARG  38   1.656  12.057   8.924
  314   2HH1  ARG  38          2HH1      ARG  38   3.361  11.906   8.679
  315   1HH2  ARG  38          1HH2      ARG  38   3.077  10.125   5.725
  316   2HH2  ARG  38          2HH2      ARG  38   4.162  10.821   6.882
  317    H    HIS  39           H        HIS  39  -3.339  14.249   8.864
  318    HA   HIS  39           HA       HIS  39  -6.233  14.343   9.276
  319   1HB   HIS  39          1HB       HIS  39  -3.870  16.190   9.381
  320   2HB   HIS  39          2HB       HIS  39  -5.481  16.904   9.309
  321    HD1  HIS  39           HD1      HIS  39  -4.617  17.639  11.863
  322    HD2  HIS  39           HD2      HIS  39  -5.727  13.664  11.267
  323    HE1  HIS  39           HE1      HIS  39  -5.069  16.669  14.158
  324    H    ASN  40           H        ASN  40  -7.440  16.209   8.076
  325    HA   ASN  40           HA       ASN  40  -7.558  15.603   5.278
  326   1HB   ASN  40          1HB       ASN  40  -8.576  17.986   6.874
  327   2HB   ASN  40          2HB       ASN  40  -9.190  17.466   5.304
  328   1HD2  ASN  40          1HD2      ASN  40 -10.243  17.440   8.322
  329   2HD2  ASN  40          2HD2      ASN  40 -10.954  15.902   8.429
  330    H    ASP  41           H        ASP  41  -7.810  18.678   4.684
  331    HA   ASP  41           HA       ASP  41  -6.445  20.387   3.816
  332   1HB   ASP  41          1HB       ASP  41  -5.326  19.672   6.184
  333   2HB   ASP  41          2HB       ASP  41  -4.002  19.259   5.096
  334    H    ASP  42           H        ASP  42  -3.579  20.010   3.183
  335    HA   ASP  42           HA       ASP  42  -3.621  19.239   0.532
  336   1HB   ASP  42          1HB       ASP  42  -1.451  18.787   2.613
  337   2HB   ASP  42          2HB       ASP  42  -1.178  18.835   0.871
  338    H    TRP  43           H        TRP  43  -3.268  17.071   3.329
  339    HA   TRP  43           HA       TRP  43  -2.561  14.679   2.005
  340   1HB   TRP  43          1HB       TRP  43  -2.589  14.907   4.415
  341   2HB   TRP  43          2HB       TRP  43  -4.307  15.298   4.413
  342    HD1  TRP  43           HD1      TRP  43  -5.811  13.361   5.005
  343    HE1  TRP  43           HE1      TRP  43  -5.679  10.792   4.861
  344    HE3  TRP  43           HE3      TRP  43  -1.253  12.838   2.761
  345    HZ2  TRP  43           HZ2      TRP  43  -3.881   8.784   3.922
  346    HZ3  TRP  43           HZ3      TRP  43  -0.357  10.583   2.252
  347    HH2  TRP  43           HH2      TRP  43  -1.664   8.557   2.829
  348    H    GLY  44           H        GLY  44  -5.892  15.661   2.939
  349   1HA   GLY  44          1HA       GLY  44  -7.234  13.614   1.532
  350   2HA   GLY  44          2HA       GLY  44  -7.948  15.178   1.912
  351    H    THR  45           H        THR  45  -5.909  16.666   0.371
  352    HA   THR  45           HA       THR  45  -7.247  16.586  -2.204
  353    HB   THR  45           HB       THR  45  -4.729  17.980  -1.224
  354    HG1  THR  45           HG1      THR  45  -6.048  19.380  -0.390
  355   1HG2  THR  45          1HG2      THR  45  -4.548  18.913  -3.273
  356   2HG2  THR  45          2HG2      THR  45  -6.268  19.301  -3.311
  357   3HG2  THR  45          3HG2      THR  45  -5.712  17.709  -3.836
  358    H    ALA  46           H        ALA  46  -3.719  16.363  -1.613
  359    HA   ALA  46           HA       ALA  46  -2.953  15.237  -4.037
  360   1HB   ALA  46          1HB       ALA  46  -1.161  15.746  -2.680
  361   2HB   ALA  46          2HB       ALA  46  -1.252  14.026  -2.297
  362   3HB   ALA  46          3HB       ALA  46  -1.990  15.212  -1.218
  363    H    LEU  47           H        LEU  47  -4.084  13.461  -1.147
  364    HA   LEU  47           HA       LEU  47  -3.963  10.906  -2.638
  365   1HB   LEU  47          1HB       LEU  47  -4.382  11.834   0.191
  366   2HB   LEU  47          2HB       LEU  47  -4.888  10.205  -0.256
  367    HG   LEU  47           HG       LEU  47  -2.566  10.218   0.599
  368   1HD1  LEU  47          1HD1      LEU  47  -2.333   9.763  -2.360
  369   2HD1  LEU  47          2HD1      LEU  47  -3.449   8.774  -1.419
  370   3HD1  LEU  47          3HD1      LEU  47  -1.729   8.774  -1.031
  371   1HD2  LEU  47          1HD2      LEU  47  -1.783  11.789  -1.851
  372   2HD2  LEU  47          2HD2      LEU  47  -0.847  11.491  -0.386
  373   3HD2  LEU  47          3HD2      LEU  47  -2.207  12.614  -0.350
  374    H    GLU  48           H        GLU  48  -6.091  13.252  -2.974
  375    HA   GLU  48           HA       GLU  48  -8.620  12.260  -2.136
  376   1HB   GLU  48          1HB       GLU  48  -9.479  13.790  -3.881
  377   2HB   GLU  48          2HB       GLU  48  -8.152  14.538  -2.997
  378   1HG   GLU  48          1HG       GLU  48  -7.173  14.914  -4.994
  379   2HG   GLU  48          2HG       GLU  48  -6.904  13.178  -5.102
  380    H    ASP  49           H        ASP  49  -8.501   9.926  -2.533
  381    HA   ASP  49           HA       ASP  49  -9.751   9.079  -4.975
  382   1HB   ASP  49          1HB       ASP  49  -7.018   9.607  -5.199
  383   2HB   ASP  49          2HB       ASP  49  -7.081   7.858  -4.986
  384    H    TYR  50           H        TYR  50  -7.135   7.564  -3.057
  385    HA   TYR  50           HA       TYR  50  -9.103   5.453  -2.232
  386   1HB   TYR  50          1HB       TYR  50  -6.072   5.341  -2.478
  387   2HB   TYR  50          2HB       TYR  50  -7.149   3.973  -2.207
  388    HD1  TYR  50           HD1      TYR  50  -5.155   5.135  -4.620
  389    HD2  TYR  50           HD2      TYR  50  -9.350   4.409  -4.047
  390    HE1  TYR  50           HE1      TYR  50  -5.448   4.895  -7.071
  391    HE2  TYR  50           HE2      TYR  50  -9.643   4.169  -6.498
  392    HH   TYR  50           HH       TYR  50  -7.809   3.449  -8.507
  393    H    LEU  51           H        LEU  51  -9.367   7.458  -0.546
  394    HA   LEU  51           HA       LEU  51  -7.417   7.039   1.688
  395   1HB   LEU  51          1HB       LEU  51  -9.205   9.301   0.777
  396   2HB   LEU  51          2HB       LEU  51  -8.539   9.281   2.408
  397    HG   LEU  51           HG       LEU  51  -6.938   9.174  -0.167
  398   1HD1  LEU  51          1HD1      LEU  51  -6.080  11.368   1.157
  399   2HD1  LEU  51          2HD1      LEU  51  -7.755  11.333   1.708
  400   3HD1  LEU  51          3HD1      LEU  51  -7.396  11.418  -0.017
  401   1HD2  LEU  51          1HD2      LEU  51  -5.683   7.941   1.391
  402   2HD2  LEU  51          2HD2      LEU  51  -6.203   8.942   2.745
  403   3HD2  LEU  51          3HD2      LEU  51  -5.047   9.575   1.573
  404    H    PHE  52           H        PHE  52  -8.208   5.701   3.247
  405    HA   PHE  52           HA       PHE  52 -11.124   5.394   3.653
  406   1HB   PHE  52          1HB       PHE  52  -8.573   4.049   4.405
  407   2HB   PHE  52          2HB       PHE  52  -9.888   3.902   5.570
  408    HD1  PHE  52           HD1      PHE  52 -11.617   2.346   5.222
  409    HD2  PHE  52           HD2      PHE  52  -9.110   3.505   1.933
  410    HE1  PHE  52           HE1      PHE  52 -12.686   0.619   3.798
  411    HE2  PHE  52           HE2      PHE  52 -10.179   1.779   0.509
  412    HZ   PHE  52           HZ       PHE  52 -11.967   0.335   1.442
  413    H    SER  53           H        SER  53 -11.702   7.456   4.541
  414    HA   SER  53           HA       SER  53 -10.172   8.453   6.868
  415   1HB   SER  53          1HB       SER  53 -11.479  10.474   6.459
  416   2HB   SER  53          2HB       SER  53 -10.900   9.862   4.909
  417    HG   SER  53           HG       SER  53 -13.471   9.546   6.051
  418    H    ARG  54           H        ARG  54 -11.051   8.696   8.928
  419    HA   ARG  54           HA       ARG  54 -13.651   7.286   9.417
  420   1HB   ARG  54          1HB       ARG  54 -11.173   6.772  10.414
  421   2HB   ARG  54          2HB       ARG  54 -11.748   7.922  11.621
  422   1HG   ARG  54          1HG       ARG  54 -13.459   6.528  12.332
  423   2HG   ARG  54          2HG       ARG  54 -13.587   5.718  10.771
  424   1HD   ARG  54          1HD       ARG  54 -12.524   4.055  12.027
  425   2HD   ARG  54          2HD       ARG  54 -11.110   4.917  11.393
  426    HE   ARG  54           HE       ARG  54 -11.770   6.327  13.688
  427   1HH1  ARG  54          1HH1      ARG  54 -11.111   2.986  12.961
  428   2HH1  ARG  54          2HH1      ARG  54 -10.471   2.657  14.534
  429   1HH2  ARG  54          1HH2      ARG  54 -10.935   5.873  15.722
  430   2HH2  ARG  54          2HH2      ARG  54 -10.371   4.276  16.086
  431    H    LYS  55           H        LYS  55 -14.491   8.274  11.739
  432    HA   LYS  55           HA       LYS  55 -15.157  11.045  11.138
  433   1HB   LYS  55          1HB       LYS  55 -16.232   8.868  12.537
  434   2HB   LYS  55          2HB       LYS  55 -15.840  10.031  13.803
  435   1HG   LYS  55          1HG       LYS  55 -17.329  10.834  11.298
  436   2HG   LYS  55          2HG       LYS  55 -18.167  10.242  12.733
  437   1HD   LYS  55          1HD       LYS  55 -16.218  12.224  13.502
  438   2HD   LYS  55          2HD       LYS  55 -17.257  12.879  12.237
  439   1HE   LYS  55          1HE       LYS  55 -18.478  13.358  14.203
  440   2HE   LYS  55          2HE       LYS  55 -19.200  11.825  13.680
  441   1HZ   LYS  55          1HZ       LYS  55 -17.111  12.272  15.736
  442   2HZ   LYS  55          2HZ       LYS  55 -17.345  10.749  15.022
  443   3HZ   LYS  55          3HZ       LYS  55 -18.600  11.472  15.909
  444    H    ASN  56           H        ASN  56 -12.764  11.653  11.263
  445    HA   ASN  56           HA       ASN  56 -11.439  11.763  13.834
  446   1HB   ASN  56          1HB       ASN  56 -11.752  14.446  13.567
  447   2HB   ASN  56          2HB       ASN  56 -13.303  13.895  12.936
  448   1HD2  ASN  56          1HD2      ASN  56 -11.218  12.617  15.593
  449   2HD2  ASN  56          2HD2      ASN  56 -12.434  12.680  16.776
  450    H    MET  57           H        MET  57 -10.996  11.206  10.880
  451    HA   MET  57           HA       MET  57  -9.283  13.366   9.919
  452   1HB   MET  57          1HB       MET  57  -7.273  11.920  10.212
  453   2HB   MET  57          2HB       MET  57  -7.946  12.428  11.735
  454   1HG   MET  57          1HG       MET  57  -8.965   9.882  10.619
  455   2HG   MET  57          2HG       MET  57  -7.304   9.892  11.201
  456   1HE   MET  57          1HE       MET  57  -6.764  11.461  13.179
  457   2HE   MET  57          2HE       MET  57  -6.664   9.839  13.866
  458   3HE   MET  57          3HE       MET  57  -7.474  11.127  14.759
  459    H    SER  58           H        SER  58  -7.624  12.010   8.268
  460    HA   SER  58           HA       SER  58  -9.360  10.174   6.660
  461   1HB   SER  58          1HB       SER  58  -8.035  11.427   4.731
  462   2HB   SER  58          2HB       SER  58  -9.466  12.169   5.445
  463    HG   SER  58           HG       SER  58  -8.241  13.716   6.102
  464    H    ALA  59           H        ALA  59  -8.308   8.236   6.363
  465    HA   ALA  59           HA       ALA  59  -5.332   8.197   6.681
  466   1HB   ALA  59          1HB       ALA  59  -5.894   6.551   8.136
  467   2HB   ALA  59          2HB       ALA  59  -6.444   5.593   6.762
  468   3HB   ALA  59          3HB       ALA  59  -7.581   6.627   7.626
  469    H    MET  60           H        MET  60  -4.247   6.418   5.365
  470    HA   MET  60           HA       MET  60  -5.299   6.464   2.568
  471   1HB   MET  60          1HB       MET  60  -2.876   7.150   3.665
  472   2HB   MET  60          2HB       MET  60  -2.566   5.483   3.189
  473   1HG   MET  60          1HG       MET  60  -3.806   7.499   1.307
  474   2HG   MET  60          2HG       MET  60  -2.064   7.269   1.428
  475   1HE   MET  60          1HE       MET  60  -4.168   6.868  -1.088
  476   2HE   MET  60          2HE       MET  60  -3.299   5.577  -1.918
  477   3HE   MET  60          3HE       MET  60  -2.409   6.921  -1.201
  478    H    ALA  61           H        ALA  61  -5.419   4.480   1.379
  479    HA   ALA  61           HA       ALA  61  -5.806   2.077   3.038
  480   1HB   ALA  61          1HB       ALA  61  -6.985   3.139   0.813
  481   2HB   ALA  61          2HB       ALA  61  -7.104   1.434   1.247
  482   3HB   ALA  61          3HB       ALA  61  -5.904   1.962   0.068
  483    H    LEU  62           H        LEU  62  -3.554   1.729   3.677
  484    HA   LEU  62           HA       LEU  62  -1.492   0.609   3.461
  485   1HB   LEU  62          1HB       LEU  62  -0.950   1.473   0.747
  486   2HB   LEU  62          2HB       LEU  62  -1.716   2.777   1.654
  487    HG   LEU  62           HG       LEU  62  -0.037   2.307   3.511
  488   1HD1  LEU  62          1HD1      LEU  62   1.882   1.133   1.647
  489   2HD1  LEU  62          2HD1      LEU  62   0.508   0.069   1.945
  490   3HD1  LEU  62          3HD1      LEU  62   1.484   0.648   3.295
  491   1HD2  LEU  62          1HD2      LEU  62   0.125   4.136   1.721
  492   2HD2  LEU  62          2HD2      LEU  62   1.273   3.080   0.898
  493   3HD2  LEU  62          3HD2      LEU  62   1.634   3.684   2.514
  494    H    GLY  63           H        GLY  63  -3.063  -1.369   3.219
  495   1HA   GLY  63          1HA       GLY  63  -1.998  -3.056   1.141
  496   2HA   GLY  63          2HA       GLY  63  -3.291  -3.497   2.254
  497    H    PHE  64           H        PHE  64  -4.516  -4.469   0.559
  498    HA   PHE  64           HA       PHE  64  -5.307  -2.897  -1.792
  499   1HB   PHE  64          1HB       PHE  64  -5.680  -5.647  -0.662
  500   2HB   PHE  64          2HB       PHE  64  -6.829  -5.101  -1.883
  501    HD1  PHE  64           HD1      PHE  64  -3.176  -4.390  -1.466
  502    HD2  PHE  64           HD2      PHE  64  -6.242  -6.161  -3.898
  503    HE1  PHE  64           HE1      PHE  64  -1.504  -4.848  -3.240
  504    HE2  PHE  64           HE2      PHE  64  -4.570  -6.619  -5.672
  505    HZ   PHE  64           HZ       PHE  64  -2.202  -5.963  -5.343
  506    H    GLY  65           H        GLY  65  -6.124  -1.434   0.402
  507   1HA   GLY  65          1HA       GLY  65  -8.906  -2.123   1.059
  508   2HA   GLY  65          2HA       GLY  65  -8.026  -0.707   1.635
  509    H    ALA  66           H        ALA  66  -7.191  -0.157  -1.242
  510    HA   ALA  66           HA       ALA  66  -9.495   1.529  -1.914
  511   1HB   ALA  66          1HB       ALA  66  -7.039   1.079  -3.606
  512   2HB   ALA  66          2HB       ALA  66  -6.900   1.933  -2.069
  513   3HB   ALA  66          3HB       ALA  66  -7.937   2.574  -3.343
  514    H    ILE  67           H        ILE  67  -7.687  -1.082  -3.567
  515    HA   ILE  67           HA       ILE  67  -9.089  -1.352  -5.920
  516    HB   ILE  67           HB       ILE  67  -8.587  -3.850  -5.639
  517   1HG1  ILE  67          1HG1      ILE  67  -7.059  -4.303  -3.640
  518   2HG1  ILE  67          2HG1      ILE  67  -7.712  -2.837  -2.923
  519   1HG2  ILE  67          1HG2      ILE  67  -7.004  -2.177  -6.593
  520   2HG2  ILE  67          2HG2      ILE  67  -6.179  -3.488  -5.749
  521   3HG2  ILE  67          3HG2      ILE  67  -6.352  -1.912  -4.976
  522   1HD1  ILE  67          1HD1      ILE  67  -9.819  -4.552  -3.971
  523   2HD1  ILE  67          2HD1      ILE  67  -9.633  -3.866  -2.357
  524   3HD1  ILE  67          3HD1      ILE  67  -8.831  -5.380  -2.767
  525    H    PHE  68           H        PHE  68 -10.361  -2.097  -2.731
  526    HA   PHE  68           HA       PHE  68 -12.497  -3.827  -3.492
  527   1HB   PHE  68          1HB       PHE  68 -12.097  -1.782  -1.287
  528   2HB   PHE  68          2HB       PHE  68 -13.502  -2.844  -1.345
  529    HD1  PHE  68           HD1      PHE  68 -12.361  -5.368  -2.349
  530    HD2  PHE  68           HD2      PHE  68 -10.782  -2.565   0.499
  531    HE1  PHE  68           HE1      PHE  68 -11.035  -7.180  -1.301
  532    HE2  PHE  68           HE2      PHE  68  -9.457  -4.380   1.547
  533    HZ   PHE  68           HZ       PHE  68  -9.583  -6.687   0.648
  534    H    ASN  69           H        ASN  69 -13.901  -3.272  -5.125
  535    HA   ASN  69           HA       ASN  69 -14.648  -0.486  -5.644
  536   1HB   ASN  69          1HB       ASN  69 -15.453  -3.195  -6.759
  537   2HB   ASN  69          2HB       ASN  69 -16.044  -1.668  -7.415
  538   1HD2  ASN  69          1HD2      ASN  69 -13.951  -3.900  -8.316
  539   2HD2  ASN  69          2HD2      ASN  69 -12.661  -2.955  -8.890
  540    H    HIS  70           H        HIS  70 -17.221  -0.342  -6.171
  541    HA   HIS  70           HA       HIS  70 -18.575  -0.985  -3.586
  542   1HB   HIS  70          1HB       HIS  70 -18.283   1.365  -4.825
  543   2HB   HIS  70          2HB       HIS  70 -19.700   0.808  -5.714
  544    HD1  HIS  70           HD1      HIS  70 -20.256   3.161  -3.994
  545    HD2  HIS  70           HD2      HIS  70 -20.395  -0.713  -2.459
  546    HE1  HIS  70           HE1      HIS  70 -21.694   3.266  -1.912
  547    H    SER  71           H        SER  71 -19.911  -2.753  -3.660
  548    HA   SER  71           HA       SER  71 -21.252  -3.389  -6.270
  549   1HB   SER  71          1HB       SER  71 -19.467  -4.965  -5.549
  550   2HB   SER  71          2HB       SER  71 -20.318  -5.217  -4.025
  551    HG   SER  71           HG       SER  71 -21.495  -6.618  -5.013
  552    H    LYS  72           H        LYS  72 -23.401  -4.383  -6.052
  553    HA   LYS  72           HA       LYS  72 -25.036  -3.115  -4.014
  554   1HB   LYS  72          1HB       LYS  72 -25.682  -3.623  -6.390
  555   2HB   LYS  72          2HB       LYS  72 -25.660  -5.341  -5.991
  556   1HG   LYS  72          1HG       LYS  72 -27.835  -5.078  -5.416
  557   2HG   LYS  72          2HG       LYS  72 -27.231  -4.247  -3.982
  558   1HD   LYS  72          1HD       LYS  72 -27.597  -2.128  -4.895
  559   2HD   LYS  72          2HD       LYS  72 -27.547  -2.725  -6.554
  560   1HE   LYS  72          1HE       LYS  72 -29.710  -3.895  -4.910
  561   2HE   LYS  72          2HE       LYS  72 -29.871  -2.156  -5.221
  562   1HZ   LYS  72          1HZ       LYS  72 -30.745  -3.719  -7.009
  563   2HZ   LYS  72          2HZ       LYS  72 -29.120  -4.081  -7.348
  564   3HZ   LYS  72          3HZ       LYS  72 -29.691  -2.491  -7.525
  565    H    ASP  73           H        ASP  73 -23.375  -6.163  -4.262
  566    HA   ASP  73           HA       ASP  73 -24.556  -6.980  -1.645
  567   1HB   ASP  73          1HB       ASP  73 -25.676  -8.032  -3.703
  568   2HB   ASP  73          2HB       ASP  73 -24.144  -8.859  -3.989
  569    HA   PRO  74           HA       PRO  74 -19.884  -7.377  -2.090
  570   1HB   PRO  74          1HB       PRO  74 -19.900  -5.890   0.468
  571   2HB   PRO  74          2HB       PRO  74 -18.970  -5.568  -1.005
  572   1HG   PRO  74          1HG       PRO  74 -21.033  -4.024  -0.197
  573   2HG   PRO  74          2HG       PRO  74 -20.600  -4.246  -1.898
  574   1HD   PRO  74          1HD       PRO  74 -22.847  -5.428  -0.345
  575   2HD   PRO  74          2HD       PRO  74 -22.776  -4.949  -2.054
  576    H    ASN  75           H        ASN  75 -19.541  -9.470  -1.433
  577    HA   ASN  75           HA       ASN  75 -20.727 -10.463   1.090
  578   1HB   ASN  75          1HB       ASN  75 -19.061 -11.759  -1.102
  579   2HB   ASN  75          2HB       ASN  75 -19.876 -12.630   0.196
  580   1HD2  ASN  75          1HD2      ASN  75 -20.455 -12.928  -2.680
  581   2HD2  ASN  75          2HD2      ASN  75 -22.068 -12.450  -2.905
  582    H    ALA  76           H        ALA  76 -18.335  -8.512   0.967
  583    HA   ALA  76           HA       ALA  76 -16.756  -9.889   3.040
  584   1HB   ALA  76          1HB       ALA  76 -16.042 -10.001   0.302
  585   2HB   ALA  76          2HB       ALA  76 -15.040 -10.472   1.675
  586   3HB   ALA  76          3HB       ALA  76 -14.943  -8.831   1.034
  587    H    ARG  77           H        ARG  77 -15.759  -8.379   4.409
  588    HA   ARG  77           HA       ARG  77 -15.791  -5.512   3.541
  589   1HB   ARG  77          1HB       ARG  77 -17.551  -6.762   5.331
  590   2HB   ARG  77          2HB       ARG  77 -16.390  -5.936   6.368
  591   1HG   ARG  77          1HG       ARG  77 -16.784  -3.831   5.181
  592   2HG   ARG  77          2HG       ARG  77 -17.881  -4.643   4.064
  593   1HD   ARG  77          1HD       ARG  77 -19.206  -3.519   5.791
  594   2HD   ARG  77          2HD       ARG  77 -19.315  -5.270   6.054
  595    HE   ARG  77           HE       ARG  77 -17.045  -4.415   7.476
  596   1HH1  ARG  77          1HH1      ARG  77 -20.466  -3.766   7.473
  597   2HH1  ARG  77          2HH1      ARG  77 -20.509  -3.397   9.162
  598   1HH2  ARG  77          1HH2      ARG  77 -17.128  -3.932   9.668
  599   2HH2  ARG  77          2HH2      ARG  77 -18.636  -3.490  10.397
  600    H    HIS  78           H        HIS  78 -14.841  -4.492   6.007
  601    HA   HIS  78           HA       HIS  78 -12.274  -5.942   6.485
  602   1HB   HIS  78          1HB       HIS  78 -11.107  -3.748   6.121
  603   2HB   HIS  78          2HB       HIS  78 -11.923  -4.325   4.668
  604    HD1  HIS  78           HD1      HIS  78 -14.324  -3.217   4.171
  605    HD2  HIS  78           HD2      HIS  78 -12.011  -1.273   7.044
  606    HE1  HIS  78           HE1      HIS  78 -15.340  -0.917   4.471
  607    H    GLU  79           H        GLU  79 -11.071  -4.896   8.362
  608    HA   GLU  79           HA       GLU  79 -12.968  -3.642  10.318
  609   1HB   GLU  79          1HB       GLU  79 -12.271  -6.197  10.455
  610   2HB   GLU  79          2HB       GLU  79 -10.776  -5.542  11.124
  611   1HG   GLU  79          1HG       GLU  79 -12.232  -5.971  12.987
  612   2HG   GLU  79          2HG       GLU  79 -12.216  -4.223  12.751
  613    H    LEU  80           H        LEU  80 -11.814  -2.381  12.018
  614    HA   LEU  80           HA       LEU  80  -9.069  -1.510  11.185
  615   1HB   LEU  80          1HB       LEU  80 -11.623   0.011  11.597
  616   2HB   LEU  80          2HB       LEU  80 -10.109   0.804  12.030
  617    HG   LEU  80           HG       LEU  80 -10.564  -0.520   9.345
  618   1HD1  LEU  80          1HD1      LEU  80 -12.099   1.202   9.160
  619   2HD1  LEU  80          2HD1      LEU  80 -10.629   2.069   8.716
  620   3HD1  LEU  80          3HD1      LEU  80 -11.272   2.206  10.352
  621   1HD2  LEU  80          1HD2      LEU  80  -8.707   1.431   8.996
  622   2HD2  LEU  80          2HD2      LEU  80  -8.295  -0.233   9.411
  623   3HD2  LEU  80          3HD2      LEU  80  -8.386   0.994  10.674
  624    H    THR  81           H        THR  81  -7.671  -1.583  12.897
  625    HA   THR  81           HA       THR  81  -8.534  -2.306  15.561
  626    HB   THR  81           HB       THR  81  -6.027  -1.678  15.962
  627    HG1  THR  81           HG1      THR  81  -5.487  -0.429  14.317
  628   1HG2  THR  81          1HG2      THR  81  -6.959  -3.755  13.965
  629   2HG2  THR  81          2HG2      THR  81  -6.668  -3.977  15.691
  630   3HG2  THR  81          3HG2      THR  81  -5.313  -3.701  14.596
  631    H    ALA  82           H        ALA  82  -7.112  -0.728  17.286
  632    HA   ALA  82           HA       ALA  82  -8.788   1.497  17.785
  633   1HB   ALA  82          1HB       ALA  82  -6.665   0.146  18.966
  634   2HB   ALA  82          2HB       ALA  82  -7.472   1.560  19.646
  635   3HB   ALA  82          3HB       ALA  82  -6.002   1.757  18.691
  636    H    GLY  83           H        GLY  83  -8.987   2.720  15.800
  637   1HA   GLY  83          1HA       GLY  83  -8.290   4.915  14.951
  638   2HA   GLY  83          2HA       GLY  83  -6.616   4.450  15.257
  639    H    LEU  84           H        LEU  84  -6.767   5.298  12.828
  640    HA   LEU  84           HA       LEU  84  -7.637   3.189  10.940
  641   1HB   LEU  84          1HB       LEU  84  -6.453   5.977  10.711
  642   2HB   LEU  84          2HB       LEU  84  -6.838   4.985   9.306
  643    HG   LEU  84           HG       LEU  84  -8.922   5.433  11.424
  644   1HD1  LEU  84          1HD1      LEU  84  -9.126   7.263   9.163
  645   2HD1  LEU  84          2HD1      LEU  84  -7.670   7.558  10.113
  646   3HD1  LEU  84          3HD1      LEU  84  -9.253   7.602  10.889
  647   1HD2  LEU  84          1HD2      LEU  84  -8.775   4.603   8.554
  648   2HD2  LEU  84          2HD2      LEU  84 -10.229   5.436   9.102
  649   3HD2  LEU  84          3HD2      LEU  84  -9.736   3.926   9.868
  650    H    LYS  85           H        LYS  85  -5.617   2.152  12.511
  651    HA   LYS  85           HA       LYS  85  -3.074   2.523  11.006
  652   1HB   LYS  85          1HB       LYS  85  -3.855   1.202  13.626
  653   2HB   LYS  85          2HB       LYS  85  -2.212   1.174  12.984
  654   1HG   LYS  85          1HG       LYS  85  -2.706   3.815  12.781
  655   2HG   LYS  85          2HG       LYS  85  -3.759   3.438  14.145
  656   1HD   LYS  85          1HD       LYS  85  -1.905   2.480  15.382
  657   2HD   LYS  85          2HD       LYS  85  -0.837   2.644  13.989
  658   1HE   LYS  85          1HE       LYS  85  -0.303   4.735  14.682
  659   2HE   LYS  85          2HE       LYS  85  -2.004   5.212  14.507
  660   1HZ   LYS  85          1HZ       LYS  85  -1.412   5.466  16.795
  661   2HZ   LYS  85          2HZ       LYS  85  -0.721   3.916  16.858
  662   3HZ   LYS  85          3HZ       LYS  85  -2.402   4.090  16.685
  663    H    ARG  86           H        ARG  86  -4.232  -0.421  12.622
  664    HA   ARG  86           HA       ARG  86  -3.311  -2.059  10.384
  665   1HB   ARG  86          1HB       ARG  86  -3.385  -2.427  13.009
  666   2HB   ARG  86          2HB       ARG  86  -5.004  -3.039  12.669
  667   1HG   ARG  86          1HG       ARG  86  -4.167  -4.970  11.862
  668   2HG   ARG  86          2HG       ARG  86  -3.104  -4.099  10.757
  669   1HD   ARG  86          1HD       ARG  86  -1.581  -3.686  12.790
  670   2HD   ARG  86          2HD       ARG  86  -2.551  -4.916  13.621
  671    HE   ARG  86           HE       ARG  86  -1.682  -5.743  10.956
  672   1HH1  ARG  86          1HH1      ARG  86  -0.835  -5.554  14.327
  673   2HH1  ARG  86          2HH1      ARG  86   0.289  -6.864  14.232
  674   1HH2  ARG  86          1HH2      ARG  86  -0.217  -7.442  10.858
  675   2HH2  ARG  86          2HH2      ARG  86   0.638  -7.927  12.284
  676    H    MET  87           H        MET  87  -4.560  -2.790   8.714
  677    HA   MET  87           HA       MET  87  -7.529  -2.443   8.915
  678   1HB   MET  87          1HB       MET  87  -5.460  -1.733   6.979
  679   2HB   MET  87          2HB       MET  87  -6.746  -2.676   6.226
  680   1HG   MET  87          1HG       MET  87  -8.373  -1.093   7.434
  681   2HG   MET  87          2HG       MET  87  -6.974  -0.061   7.721
  682   1HE   MET  87          1HE       MET  87  -8.985  -2.061   5.301
  683   2HE   MET  87          2HE       MET  87  -7.482  -2.347   4.423
  684   3HE   MET  87          3HE       MET  87  -8.747  -1.349   3.705
  685    H    ARG  88           H        ARG  88  -8.757  -4.290   8.645
  686    HA   ARG  88           HA       ARG  88  -7.333  -6.764   7.714
  687   1HB   ARG  88          1HB       ARG  88  -9.613  -6.416   9.697
  688   2HB   ARG  88          2HB       ARG  88  -8.818  -7.940   9.302
  689   1HG   ARG  88          1HG       ARG  88  -6.739  -7.195  10.246
  690   2HG   ARG  88          2HG       ARG  88  -7.330  -5.540  10.396
  691   1HD   ARG  88          1HD       ARG  88  -7.652  -6.309  12.582
  692   2HD   ARG  88          2HD       ARG  88  -9.220  -6.732  11.867
  693    HE   ARG  88           HE       ARG  88  -8.591  -9.000  12.060
  694   1HH1  ARG  88          1HH1      ARG  88  -5.774  -6.955  12.030
  695   2HH1  ARG  88          2HH1      ARG  88  -4.681  -8.272  12.281
  696   1HH2  ARG  88          1HH2      ARG  88  -7.153 -10.691  12.385
  697   2HH2  ARG  88          2HH2      ARG  88  -5.453 -10.372  12.481
  698    H    ILE  89           H        ILE  89  -8.809  -8.376   6.680
  699    HA   ILE  89           HA       ILE  89 -11.186  -7.097   5.372
  700    HB   ILE  89           HB       ILE  89  -9.047  -8.894   4.171
  701   1HG1  ILE  89          1HG1      ILE  89  -9.699  -5.990   3.594
  702   2HG1  ILE  89          2HG1      ILE  89  -8.382  -6.512   4.644
  703   1HG2  ILE  89          1HG2      ILE  89 -11.432  -7.529   2.884
  704   2HG2  ILE  89          2HG2      ILE  89 -11.300  -9.259   3.202
  705   3HG2  ILE  89          3HG2      ILE  89 -10.215  -8.490   2.043
  706   1HD1  ILE  89          1HD1      ILE  89  -7.069  -7.079   2.886
  707   2HD1  ILE  89          2HD1      ILE  89  -8.195  -6.140   1.906
  708   3HD1  ILE  89          3HD1      ILE  89  -8.397  -7.886   2.052
  709    H    PHE  90           H        PHE  90 -12.745  -8.221   6.603
  710    HA   PHE  90           HA       PHE  90 -12.502 -11.159   6.926
  711   1HB   PHE  90          1HB       PHE  90 -14.232  -8.919   7.957
  712   2HB   PHE  90          2HB       PHE  90 -14.800 -10.581   8.112
  713    HD1  PHE  90           HD1      PHE  90 -12.449  -8.077   9.316
  714    HD2  PHE  90           HD2      PHE  90 -13.423 -12.260   9.365
  715    HE1  PHE  90           HE1      PHE  90 -10.978  -8.396  11.287
  716    HE2  PHE  90           HE2      PHE  90 -11.951 -12.580  11.335
  717    HZ   PHE  90           HZ       PHE  90 -10.729 -10.648  12.297
  718    H    THR  91           H        THR  91 -14.898 -12.208   6.660
  719    HA   THR  91           HA       THR  91 -15.754 -11.492   3.878
  720    HB   THR  91           HB       THR  91 -16.316 -14.211   4.883
  721    HG1  THR  91           HG1      THR  91 -13.999 -14.709   4.452
  722   1HG2  THR  91          1HG2      THR  91 -15.336 -14.764   2.678
  723   2HG2  THR  91          2HG2      THR  91 -14.954 -13.055   2.455
  724   3HG2  THR  91          3HG2      THR  91 -16.639 -13.576   2.582
  725    H    ILE  92           H        ILE  92 -17.410 -10.051   4.878
  726    HA   ILE  92           HA       ILE  92 -19.442 -10.984   6.638
  727    HB   ILE  92           HB       ILE  92 -20.721  -9.049   5.594
  728   1HG1  ILE  92          1HG1      ILE  92 -18.353  -8.087   4.164
  729   2HG1  ILE  92          2HG1      ILE  92 -19.067  -9.518   3.429
  730   1HG2  ILE  92          1HG2      ILE  92 -17.853  -8.585   6.459
  731   2HG2  ILE  92          2HG2      ILE  92 -19.266  -8.672   7.511
  732   3HG2  ILE  92          3HG2      ILE  92 -19.090  -7.329   6.381
  733   1HD1  ILE  92          1HD1      ILE  92 -21.160  -8.460   3.130
  734   2HD1  ILE  92          2HD1      ILE  92 -19.992  -7.209   2.706
  735   3HD1  ILE  92          3HD1      ILE  92 -20.775  -7.186   4.286
  736    H    LYS  93           H        LYS  93 -20.286 -12.883   6.106
  737    HA   LYS  93           HA       LYS  93 -21.965 -14.280   5.136
  738   1HB   LYS  93          1HB       LYS  93 -21.810 -12.571   2.639
  739   2HB   LYS  93          2HB       LYS  93 -23.095 -13.665   3.120
  740   1HG   LYS  93          1HG       LYS  93 -22.446 -10.951   4.267
  741   2HG   LYS  93          2HG       LYS  93 -23.957 -11.516   3.575
  742   1HD   LYS  93          1HD       LYS  93 -24.623 -11.912   5.693
  743   2HD   LYS  93          2HD       LYS  93 -23.524 -13.290   5.668
  744   1HE   LYS  93          1HE       LYS  93 -22.238 -12.284   7.241
  745   2HE   LYS  93          2HE       LYS  93 -21.998 -10.899   6.157
  746   1HZ   LYS  93          1HZ       LYS  93 -24.407 -11.365   7.845
  747   2HZ   LYS  93          2HZ       LYS  93 -24.133 -10.022   6.842
  748   3HZ   LYS  93          3HZ       LYS  93 -23.164 -10.268   8.215
  749    HA   PRO  94           HA       PRO  94 -18.671 -16.865   3.664
  750   1HB   PRO  94          1HB       PRO  94 -21.056 -18.377   2.710
  751   2HB   PRO  94          2HB       PRO  94 -19.586 -18.980   3.494
  752   1HG   PRO  94          1HG       PRO  94 -21.781 -18.640   4.865
  753   2HG   PRO  94          2HG       PRO  94 -20.242 -18.209   5.561
  754   1HD   PRO  94          1HD       PRO  94 -22.431 -16.474   4.554
  755   2HD   PRO  94          2HD       PRO  94 -21.258 -16.181   5.854
  756    H    ILE  95           H        ILE  95 -17.681 -17.235   1.598
  757    HA   ILE  95           HA       ILE  95 -19.190 -16.097  -0.724
  758    HB   ILE  95           HB       ILE  95 -16.269 -15.991   0.079
  759   1HG1  ILE  95          1HG1      ILE  95 -18.326 -13.821  -0.430
  760   2HG1  ILE  95          2HG1      ILE  95 -17.858 -14.405   1.167
  761   1HG2  ILE  95          1HG2      ILE  95 -17.546 -15.717  -2.563
  762   2HG2  ILE  95          2HG2      ILE  95 -15.847 -15.952  -2.155
  763   3HG2  ILE  95          3HG2      ILE  95 -16.549 -14.335  -2.108
  764   1HD1  ILE  95          1HD1      ILE  95 -16.252 -12.826  -0.818
  765   2HD1  ILE  95          2HD1      ILE  95 -15.426 -13.870   0.343
  766   3HD1  ILE  95          3HD1      ILE  95 -16.458 -12.559   0.916
  767    H    ALA  96           H        ALA  96 -18.859 -17.156  -2.770
  768    HA   ALA  96           HA       ALA  96 -18.003 -20.001  -2.516
  769   1HB   ALA  96          1HB       ALA  96 -19.604 -18.435  -4.571
  770   2HB   ALA  96          2HB       ALA  96 -20.255 -19.529  -3.350
  771   3HB   ALA  96          3HB       ALA  96 -19.285 -20.167  -4.677
  772    H    ILE  97           H        ILE  97 -16.690 -20.912  -4.297
  773    HA   ILE  97           HA       ILE  97 -14.381 -19.349  -4.928
  774    HB   ILE  97           HB       ILE  97 -15.553 -21.890  -6.120
  775   1HG1  ILE  97          1HG1      ILE  97 -13.215 -22.212  -4.461
  776   2HG1  ILE  97          2HG1      ILE  97 -14.449 -21.313  -3.579
  777   1HG2  ILE  97          1HG2      ILE  97 -13.255 -20.311  -6.894
  778   2HG2  ILE  97          2HG2      ILE  97 -13.887 -21.782  -7.633
  779   3HG2  ILE  97          3HG2      ILE  97 -12.737 -21.889  -6.301
  780   1HD1  ILE  97          1HD1      ILE  97 -14.461 -24.124  -4.507
  781   2HD1  ILE  97          2HD1      ILE  97 -15.973 -23.249  -4.747
  782   3HD1  ILE  97          3HD1      ILE  97 -15.282 -23.390  -3.130
  783    H    GLY  98           H        GLY  98 -14.339 -17.666  -6.358
  784   1HA   GLY  98          1HA       GLY  98 -14.407 -16.999  -8.728
  785   2HA   GLY  98          2HA       GLY  98 -15.870 -17.968  -8.904
  786    H    GLU  99           H        GLU  99 -15.379 -15.923  -6.093
  787    HA   GLU  99           HA       GLU  99 -17.673 -14.244  -7.028
  788   1HB   GLU  99          1HB       GLU  99 -16.522 -15.121  -4.386
  789   2HB   GLU  99          2HB       GLU  99 -17.493 -13.651  -4.443
  790   1HG   GLU  99          1HG       GLU  99 -18.353 -16.411  -5.350
  791   2HG   GLU  99          2HG       GLU  99 -18.919 -15.569  -3.914
  792    H    GLU 100           H        GLU 100 -17.471 -11.912  -5.923
  793    HA   GLU 100           HA       GLU 100 -14.711 -10.900  -6.526
  794   1HB   GLU 100          1HB       GLU 100 -16.337 -10.158  -8.170
  795   2HB   GLU 100          2HB       GLU 100 -17.480  -9.703  -6.908
  796   1HG   GLU 100          1HG       GLU 100 -16.430  -7.721  -6.500
  797   2HG   GLU 100          2HG       GLU 100 -14.825  -8.426  -6.675
  798    H    ILE 101           H        ILE 101 -13.695 -10.089  -4.742
  799    HA   ILE 101           HA       ILE 101 -15.257  -9.555  -2.290
  800    HB   ILE 101           HB       ILE 101 -12.285  -9.503  -2.933
  801   1HG1  ILE 101          1HG1      ILE 101 -13.979 -11.606  -1.555
  802   2HG1  ILE 101          2HG1      ILE 101 -13.375 -11.721  -3.208
  803   1HG2  ILE 101          1HG2      ILE 101 -13.106  -8.154  -0.917
  804   2HG2  ILE 101          2HG2      ILE 101 -11.900  -9.397  -0.579
  805   3HG2  ILE 101          3HG2      ILE 101 -13.600  -9.696  -0.217
  806   1HD1  ILE 101          1HD1      ILE 101 -11.357 -11.096  -1.118
  807   2HD1  ILE 101          2HD1      ILE 101 -11.224 -12.140  -2.533
  808   3HD1  ILE 101          3HD1      ILE 101 -12.035 -12.724  -1.080
  809    H    THR 102           H        THR 102 -15.864  -7.539  -1.719
  810    HA   THR 102           HA       THR 102 -14.284  -5.167  -2.492
  811    HB   THR 102           HB       THR 102 -16.446  -4.198  -3.506
  812    HG1  THR 102           HG1      THR 102 -18.089  -5.496  -3.751
  813   1HG2  THR 102          1HG2      THR 102 -14.427  -5.120  -4.779
  814   2HG2  THR 102          2HG2      THR 102 -15.952  -5.088  -5.666
  815   3HG2  THR 102          3HG2      THR 102 -15.360  -6.602  -4.983
  816    H    ILE 103           H        ILE 103 -15.578  -3.136  -1.589
  817    HA   ILE 103           HA       ILE 103 -17.144  -3.890   0.841
  818    HB   ILE 103           HB       ILE 103 -15.684  -2.428   2.185
  819   1HG1  ILE 103          1HG1      ILE 103 -13.466  -2.010   0.504
  820   2HG1  ILE 103          2HG1      ILE 103 -14.870  -1.532  -0.449
  821   1HG2  ILE 103          1HG2      ILE 103 -13.662  -3.794   2.134
  822   2HG2  ILE 103          2HG2      ILE 103 -14.043  -4.346   0.503
  823   3HG2  ILE 103          3HG2      ILE 103 -15.066  -4.825   1.858
  824   1HD1  ILE 103          1HD1      ILE 103 -13.767  -0.329   2.035
  825   2HD1  ILE 103          2HD1      ILE 103 -15.526  -0.403   1.921
  826   3HD1  ILE 103          3HD1      ILE 103 -14.596   0.442   0.683
  827    H    SER 104           H        SER 104 -18.408  -2.071   1.694
  828    HA   SER 104           HA       SER 104 -19.366  -0.286  -0.433
  829   1HB   SER 104          1HB       SER 104 -20.558  -1.600   1.572
  830   2HB   SER 104          2HB       SER 104 -20.211  -0.103   2.439
  831    HG   SER 104           HG       SER 104 -21.737   0.828   1.367
  832    H    TYR 105           H        TYR 105 -20.030   2.009   0.994
  833    HA   TYR 105           HA       TYR 105 -17.353   3.109   1.792
  834   1HB   TYR 105          1HB       TYR 105 -19.593   4.203   0.068
  835   2HB   TYR 105          2HB       TYR 105 -18.316   5.236   0.713
  836    HD1  TYR 105           HD1      TYR 105 -15.926   3.610   0.569
  837    HD2  TYR 105           HD2      TYR 105 -19.184   3.881  -2.217
  838    HE1  TYR 105           HE1      TYR 105 -14.419   2.888  -1.262
  839    HE2  TYR 105           HE2      TYR 105 -17.677   3.159  -4.049
  840    HH   TYR 105           HH       TYR 105 -15.267   1.641  -3.953
  841    H    GLY 106           H        GLY 106 -20.542   4.691   1.772
  842   1HA   GLY 106          1HA       GLY 106 -21.604   4.375   4.228
  843   2HA   GLY 106          2HA       GLY 106 -20.166   5.304   4.648
  844    H    ASP 107           H        ASP 107 -21.483   7.094   5.345
  845    HA   ASP 107           HA       ASP 107 -23.551   8.392   3.982
  846   1HB   ASP 107          1HB       ASP 107 -21.263   9.266   5.737
  847   2HB   ASP 107          2HB       ASP 107 -22.369  10.476   5.088
  848    H    ASP 108           H        ASP 108 -20.052   9.108   3.663
  849    HA   ASP 108           HA       ASP 108 -20.469  10.816   1.326
  850   1HB   ASP 108          1HB       ASP 108 -18.368  10.013   3.178
  851   2HB   ASP 108          2HB       ASP 108 -17.779   9.987   1.516
  852    H    TYR 109           H        TYR 109 -18.516   9.975  -0.441
  853    HA   TYR 109           HA       TYR 109 -18.351   8.576  -2.344
  854   1HB   TYR 109          1HB       TYR 109 -18.048   7.093   0.200
  855   2HB   TYR 109          2HB       TYR 109 -18.300   6.082  -1.220
  856    HD1  TYR 109           HD1      TYR 109 -16.389   5.409  -2.365
  857    HD2  TYR 109           HD2      TYR 109 -16.379   9.175  -0.301
  858    HE1  TYR 109           HE1      TYR 109 -14.031   5.774  -3.043
  859    HE2  TYR 109           HE2      TYR 109 -14.021   9.540  -0.978
  860    HH   TYR 109           HH       TYR 109 -12.053   8.077  -1.640
  861    H    TRP 110           H        TRP 110 -20.401   8.904  -3.352
  862    HA   TRP 110           HA       TRP 110 -22.730   7.298  -2.555
  863   1HB   TRP 110          1HB       TRP 110 -23.736   8.485  -4.548
  864   2HB   TRP 110          2HB       TRP 110 -23.050   9.570  -3.342
  865    HD1  TRP 110           HD1      TRP 110 -21.280  11.231  -4.145
  866    HE1  TRP 110           HE1      TRP 110 -19.937  11.560  -6.323
  867    HE3  TRP 110           HE3      TRP 110 -22.623   7.004  -6.643
  868    HZ2  TRP 110           HZ2      TRP 110 -19.494  10.196  -8.805
  869    HZ3  TRP 110           HZ3      TRP 110 -21.737   6.533  -8.896
  870    HH2  TRP 110           HH2      TRP 110 -20.174   8.122  -9.990
  871    H    LEU 111           H        LEU 111 -23.705   5.669  -3.868
  872    HA   LEU 111           HA       LEU 111 -21.750   4.085  -5.416
  873   1HB   LEU 111          1HB       LEU 111 -23.148   3.039  -3.701
  874   2HB   LEU 111          2HB       LEU 111 -24.610   3.638  -4.480
  875    HG   LEU 111           HG       LEU 111 -23.343   2.295  -6.538
  876   1HD1  LEU 111          1HD1      LEU 111 -21.703   1.123  -5.407
  877   2HD1  LEU 111          2HD1      LEU 111 -23.048  -0.001  -5.214
  878   3HD1  LEU 111          3HD1      LEU 111 -22.618   1.093  -3.900
  879   1HD2  LEU 111          1HD2      LEU 111 -25.315   1.101  -4.569
  880   2HD2  LEU 111          2HD2      LEU 111 -25.118   0.663  -6.266
  881   3HD2  LEU 111          3HD2      LEU 111 -25.756   2.249  -5.834
  882    H    SER 112           H        SER 112 -25.232   4.471  -6.104
  883    HA   SER 112           HA       SER 112 -24.912   5.957  -8.545
  884   1HB   SER 112          1HB       SER 112 -23.730   4.051  -9.371
  885   2HB   SER 112          2HB       SER 112 -24.873   2.928  -8.633
  886    HG   SER 112           HG       SER 112 -25.182   4.560 -10.901
  887    H    ARG 113           H        ARG 113 -26.864   3.006  -8.272
  888    HA   ARG 113           HA       ARG 113 -29.308   4.657  -8.484
  889   1HB   ARG 113          1HB       ARG 113 -28.516   1.778  -8.866
  890   2HB   ARG 113          2HB       ARG 113 -30.222   2.197  -8.713
  891   1HG   ARG 113          1HG       ARG 113 -30.128   3.643 -10.625
  892   2HG   ARG 113          2HG       ARG 113 -28.366   3.569 -10.672
  893   1HD   ARG 113          1HD       ARG 113 -29.129   0.889 -10.802
  894   2HD   ARG 113          2HD       ARG 113 -30.316   1.720 -11.825
  895    HE   ARG 113           HE       ARG 113 -27.823   2.874 -12.431
  896   1HH1  ARG 113          1HH1      ARG 113 -29.302  -0.274 -12.572
  897   2HH1  ARG 113          2HH1      ARG 113 -28.345  -0.785 -13.919
  898   1HH2  ARG 113          1HH2      ARG 113 -26.593   2.187 -14.179
  899   2HH2  ARG 113          2HH2      ARG 113 -26.823   0.596 -14.823
  900    HA   PRO 114           HA       PRO 114 -29.813   4.106  -4.055
  901   1HB   PRO 114          1HB       PRO 114 -32.314   5.289  -3.915
  902   2HB   PRO 114          2HB       PRO 114 -30.790   6.195  -3.913
  903   1HG   PRO 114          1HG       PRO 114 -32.706   5.703  -6.132
  904   2HG   PRO 114          2HG       PRO 114 -31.746   7.144  -5.767
  905   1HD   PRO 114          1HD       PRO 114 -31.102   5.366  -7.727
  906   2HD   PRO 114          2HD       PRO 114 -29.898   6.340  -6.858
  907    H    ARG 115           H        ARG 115 -30.113   1.738  -5.107
  908    HA   ARG 115           HA       ARG 115 -32.957   0.889  -4.668
  909   1HB   ARG 115          1HB       ARG 115 -30.719  -0.423  -6.258
  910   2HB   ARG 115          2HB       ARG 115 -32.407  -0.935  -6.223
  911   1HG   ARG 115          1HG       ARG 115 -31.486   1.799  -7.160
  912   2HG   ARG 115          2HG       ARG 115 -31.808   0.444  -8.243
  913   1HD   ARG 115          1HD       ARG 115 -33.865   1.498  -6.274
  914   2HD   ARG 115          2HD       ARG 115 -33.766   2.037  -7.961
  915    HE   ARG 115           HE       ARG 115 -33.708  -0.831  -7.865
  916   1HH1  ARG 115          1HH1      ARG 115 -35.850   1.875  -7.412
  917   2HH1  ARG 115          2HH1      ARG 115 -37.259   0.975  -7.856
  918   1HH2  ARG 115          1HH2      ARG 115 -35.552  -1.978  -8.438
  919   2HH2  ARG 115          2HH2      ARG 115 -37.094  -1.189  -8.432
  920    H    LEU 116           H        LEU 116 -31.097   1.236  -2.478
  921    HA   LEU 116           HA       LEU 116 -30.544  -1.613  -1.721
  922   1HB   LEU 116          1HB       LEU 116 -29.231   1.043  -1.166
  923   2HB   LEU 116          2HB       LEU 116 -28.974  -0.308  -0.061
  924    HG   LEU 116           HG       LEU 116 -28.416  -1.665  -2.210
  925   1HD1  LEU 116          1HD1      LEU 116 -28.543   1.158  -3.185
  926   2HD1  LEU 116          2HD1      LEU 116 -28.949  -0.338  -4.026
  927   3HD1  LEU 116          3HD1      LEU 116 -27.260   0.127  -3.819
  928   1HD2  LEU 116          1HD2      LEU 116 -26.060  -0.456  -2.215
  929   2HD2  LEU 116          2HD2      LEU 116 -26.600  -1.349  -0.794
  930   3HD2  LEU 116          3HD2      LEU 116 -26.742   0.409  -0.837
  931    H    THR 117           H        THR 117 -33.163  -0.636  -1.384
  932    HA   THR 117           HA       THR 117 -33.408  -0.781   1.557
  933    HB   THR 117           HB       THR 117 -34.414   1.553  -0.116
  934    HG1  THR 117           HG1      THR 117 -32.823   2.668   0.788
  935   1HG2  THR 117          1HG2      THR 117 -35.868   1.972   1.550
  936   2HG2  THR 117          2HG2      THR 117 -34.554   1.954   2.726
  937   3HG2  THR 117          3HG2      THR 117 -35.393   0.457   2.318
  938    H    GLN 118           H        GLN 118 -35.515  -1.486   2.189
  939    HA   GLN 118           HA       GLN 118 -37.252  -2.381  -0.086
  940   1HB   GLN 118          1HB       GLN 118 -36.074  -4.042   1.468
  941   2HB   GLN 118          2HB       GLN 118 -37.121  -3.443   2.755
  942   1HG   GLN 118          1HG       GLN 118 -38.724  -4.002   0.436
  943   2HG   GLN 118          2HG       GLN 118 -37.729  -5.412   0.797
  944   1HE2  GLN 118          1HE2      GLN 118 -37.964  -6.390   2.970
  945   2HE2  GLN 118          2HE2      GLN 118 -39.354  -6.096   3.899
  946    H    ASN 119           H        ASN 119 -37.296   0.281   1.359
  947    HA   ASN 119           HA       ASN 119 -40.058   0.094   2.520
  948   1HB   ASN 119          1HB       ASN 119 -37.534   1.402   3.298
  949   2HB   ASN 119          2HB       ASN 119 -38.927   2.482   3.364
  950   1HD2  ASN 119          1HD2      ASN 119 -39.299   2.515   5.631
  951   2HD2  ASN 119          2HD2      ASN 119 -39.651   1.127   6.543
  952   1H    GLY 201          1H        GLY 201 -29.271  25.908  -6.089
  953   2H    GLY 201          2H        GLY 201 -28.303  25.222  -7.305
  954   3H    GLY 201          3H        GLY 201 -29.318  24.234  -6.367
  955   1HA   GLY 201          1HA       GLY 201 -29.987  26.022  -8.588
  956   2HA   GLY 201          2HA       GLY 201 -30.597  24.407  -8.225
  957    H    LYS 202           H        LYS 202 -30.959  27.821  -7.559
  958    HA   LYS 202           HA       LYS 202 -32.688  29.010  -6.473
  959   1HB   LYS 202          1HB       LYS 202 -34.091  26.424  -7.246
  960   2HB   LYS 202          2HB       LYS 202 -34.912  27.923  -6.812
  961   1HG   LYS 202          1HG       LYS 202 -34.605  28.773  -8.879
  962   2HG   LYS 202          2HG       LYS 202 -32.885  28.387  -8.844
  963   1HD   LYS 202          1HD       LYS 202 -33.321  26.112  -9.559
  964   2HD   LYS 202          2HD       LYS 202 -35.062  26.357  -9.420
  965   1HE   LYS 202          1HE       LYS 202 -34.546  28.367 -11.112
  966   2HE   LYS 202          2HE       LYS 202 -33.177  27.321 -11.534
  967   1HZ   LYS 202          1HZ       LYS 202 -36.022  26.461 -11.357
  968   2HZ   LYS 202          2HZ       LYS 202 -34.708  25.468 -11.774
  969   3HZ   LYS 202          3HZ       LYS 202 -35.173  26.737 -12.802
  970    H    ALA 203           H        ALA 203 -30.976  27.680  -4.669
  971    HA   ALA 203           HA       ALA 203 -32.694  27.449  -2.336
  972   1HB   ALA 203          1HB       ALA 203 -32.610  25.218  -3.905
  973   2HB   ALA 203          2HB       ALA 203 -32.843  25.159  -2.158
  974   3HB   ALA 203          3HB       ALA 203 -31.237  24.906  -2.842
  975    HA   PRO 204           HA       PRO 204 -28.900  28.337  -0.315
  976   1HB   PRO 204          1HB       PRO 204 -29.106  26.849   2.015
  977   2HB   PRO 204          2HB       PRO 204 -29.942  28.389   1.746
  978   1HG   PRO 204          1HG       PRO 204 -30.973  25.606   1.552
  979   2HG   PRO 204          2HG       PRO 204 -31.776  27.069   2.138
  980   1HD   PRO 204          1HD       PRO 204 -32.246  25.982  -0.312
  981   2HD   PRO 204          2HD       PRO 204 -32.404  27.718   0.030
  982    H    ARG 205           H        ARG 205 -27.091  27.451  -1.280
  983    HA   ARG 205           HA       ARG 205 -26.662  24.501  -1.080
  984   1HB   ARG 205          1HB       ARG 205 -26.565  26.243  -3.189
  985   2HB   ARG 205          2HB       ARG 205 -24.870  26.226  -2.700
  986   1HG   ARG 205          1HG       ARG 205 -26.244  23.589  -2.844
  987   2HG   ARG 205          2HG       ARG 205 -25.906  24.390  -4.379
  988   1HD   ARG 205          1HD       ARG 205 -23.549  24.469  -3.923
  989   2HD   ARG 205          2HD       ARG 205 -23.798  24.012  -2.227
  990    HE   ARG 205           HE       ARG 205 -24.939  22.064  -4.058
  991   1HH1  ARG 205          1HH1      ARG 205 -21.993  23.145  -2.548
  992   2HH1  ARG 205          2HH1      ARG 205 -21.239  21.592  -2.655
  993   1HH2  ARG 205          1HH2      ARG 205 -23.938  20.059  -4.185
  994   2HH2  ARG 205          2HH2      ARG 205 -22.330  19.857  -3.575
  995    H    LYS 206           H        LYS 206 -24.691  23.701  -0.208
  996    HA   LYS 206           HA       LYS 206 -22.983  25.728   1.201
  997   1HB   LYS 206          1HB       LYS 206 -24.030  23.013   2.075
  998   2HB   LYS 206          2HB       LYS 206 -22.812  23.918   2.973
  999   1HG   LYS 206          1HG       LYS 206 -24.358  25.772   3.291
 1000   2HG   LYS 206          2HG       LYS 206 -25.562  24.988   2.268
 1001   1HD   LYS 206          1HD       LYS 206 -24.477  23.590   4.707
 1002   2HD   LYS 206          2HD       LYS 206 -25.795  24.752   4.851
 1003   1HE   LYS 206          1HE       LYS 206 -26.129  22.760   2.680
 1004   2HE   LYS 206          2HE       LYS 206 -26.194  22.104   4.327
 1005   1HZ   LYS 206          1HZ       LYS 206 -27.752  24.396   3.244
 1006   2HZ   LYS 206          2HZ       LYS 206 -27.710  23.971   4.887
 1007   3HZ   LYS 206          3HZ       LYS 206 -28.368  22.896   3.749
 1008    H    GLN 207           H        GLN 207 -21.146  25.688  -0.102
 1009    HA   GLN 207           HA       GLN 207 -20.152  23.256  -1.356
 1010   1HB   GLN 207          1HB       GLN 207 -19.940  25.848  -1.908
 1011   2HB   GLN 207          2HB       GLN 207 -18.510  25.730  -0.883
 1012   1HG   GLN 207          1HG       GLN 207 -17.487  25.107  -2.828
 1013   2HG   GLN 207          2HG       GLN 207 -18.179  23.529  -2.452
 1014   1HE2  GLN 207          1HE2      GLN 207 -19.424  22.654  -4.112
 1015   2HE2  GLN 207          2HE2      GLN 207 -20.201  23.550  -5.326
 1016    H    LEU 208           H        LEU 208 -18.830  25.359   1.239
 1017    HA   LEU 208           HA       LEU 208 -16.780  23.438   1.981
 1018   1HB   LEU 208          1HB       LEU 208 -17.171  26.098   2.290
 1019   2HB   LEU 208          2HB       LEU 208 -17.746  25.547   3.863
 1020    HG   LEU 208           HG       LEU 208 -15.245  24.257   3.013
 1021   1HD1  LEU 208          1HD1      LEU 208 -14.093  26.091   2.400
 1022   2HD1  LEU 208          2HD1      LEU 208 -14.409  26.787   3.990
 1023   3HD1  LEU 208          3HD1      LEU 208 -15.517  27.100   2.654
 1024   1HD2  LEU 208          1HD2      LEU 208 -14.742  25.382   5.402
 1025   2HD2  LEU 208          2HD2      LEU 208 -15.679  23.896   5.244
 1026   3HD2  LEU 208          3HD2      LEU 208 -16.504  25.442   5.440
 1027    H    ALA 209           H        ALA 209 -16.728  22.206   3.973
 1028    HA   ALA 209           HA       ALA 209 -19.175  22.008   5.605
 1029   1HB   ALA 209          1HB       ALA 209 -19.419  20.654   3.419
 1030   2HB   ALA 209          2HB       ALA 209 -19.715  19.778   4.921
 1031   3HB   ALA 209          3HB       ALA 209 -18.178  19.587   4.077
 1032    H    THR 210           H        THR 210 -18.441  21.691   7.665
 1033    HA   THR 210           HA       THR 210 -15.701  21.082   8.285
 1034    HB   THR 210           HB       THR 210 -16.891  20.719  10.612
 1035    HG1  THR 210           HG1      THR 210 -18.956  20.481  10.198
 1036   1HG2  THR 210          1HG2      THR 210 -16.856  23.055  10.954
 1037   2HG2  THR 210          2HG2      THR 210 -17.368  23.393   9.300
 1038   3HG2  THR 210          3HG2      THR 210 -15.731  22.817   9.617
 1039    H    LYS 211           H        LYS 211 -18.603  19.096   7.967
 1040    HA   LYS 211           HA       LYS 211 -17.177  16.697   8.983
 1041   1HB   LYS 211          1HB       LYS 211 -19.565  17.365   9.571
 1042   2HB   LYS 211          2HB       LYS 211 -19.997  17.011   7.898
 1043   1HG   LYS 211          1HG       LYS 211 -20.141  14.818   8.381
 1044   2HG   LYS 211          2HG       LYS 211 -18.467  14.816   8.935
 1045   1HD   LYS 211          1HD       LYS 211 -19.378  14.321  10.963
 1046   2HD   LYS 211          2HD       LYS 211 -19.722  16.049  11.033
 1047   1HE   LYS 211          1HE       LYS 211 -21.782  14.728   9.495
 1048   2HE   LYS 211          2HE       LYS 211 -21.612  13.941  11.076
 1049   1HZ   LYS 211          1HZ       LYS 211 -21.608  16.890  10.778
 1050   2HZ   LYS 211          2HZ       LYS 211 -21.863  15.975  12.187
 1051   3HZ   LYS 211          3HZ       LYS 211 -23.055  16.023  10.977
 1052    H    ALA 212           H        ALA 212 -16.093  17.753   6.573
 1053    HA   ALA 212           HA       ALA 212 -17.220  16.231   4.315
 1054   1HB   ALA 212          1HB       ALA 212 -16.199  17.948   3.246
 1055   2HB   ALA 212          2HB       ALA 212 -14.632  17.370   3.812
 1056   3HB   ALA 212          3HB       ALA 212 -15.555  18.513   4.788
 1057    H    ALA 213           H        ALA 213 -16.874  14.014   4.792
 1058    HA   ALA 213           HA       ALA 213 -14.072  13.157   5.378
 1059   1HB   ALA 213          1HB       ALA 213 -15.734  12.323   6.908
 1060   2HB   ALA 213          2HB       ALA 213 -15.327  10.970   5.852
 1061   3HB   ALA 213          3HB       ALA 213 -16.816  11.878   5.589
 1062    H    ARG 214           H        ARG 214 -14.011  10.648   4.334
 1063    HA   ARG 214           HA       ARG 214 -14.561  11.031   1.409
 1064   1HB   ARG 214          1HB       ARG 214 -12.160   9.875   2.869
 1065   2HB   ARG 214          2HB       ARG 214 -12.378   9.779   1.121
 1066   1HG   ARG 214          1HG       ARG 214 -12.679  12.343   1.210
 1067   2HG   ARG 214          2HG       ARG 214 -11.996  12.238   2.832
 1068   1HD   ARG 214          1HD       ARG 214 -10.064  12.571   1.542
 1069   2HD   ARG 214          2HD       ARG 214 -10.130  10.799   1.596
 1070    HE   ARG 214           HE       ARG 214 -10.679  10.829  -0.704
 1071   1HH1  ARG 214          1HH1      ARG 214 -11.353  13.916   0.756
 1072   2HH1  ARG 214          2HH1      ARG 214 -11.791  14.654  -0.745
 1073   1HH2  ARG 214          1HH2      ARG 214 -11.253  11.808  -2.640
 1074   2HH2  ARG 214          2HH2      ARG 214 -11.736  13.471  -2.655
 1075   1HN   MLZ 215          1HN       MLZ 215 -13.118   8.198   2.992
 1076    HA   MLZ 215           HA       MLZ 215 -15.388   6.564   1.970
 1077   1HB   MLZ 215          1HB       MLZ 215 -12.512   6.248   2.605
 1078   2HB   MLZ 215          2HB       MLZ 215 -13.510   4.849   2.999
 1079   1HG   MLZ 215          1HG       MLZ 215 -13.537   6.250   0.311
 1080   2HG   MLZ 215          2HG       MLZ 215 -14.352   4.743   0.726
 1081   1HD   MLZ 215          1HD       MLZ 215 -11.392   4.935   1.147
 1082   2HD   MLZ 215          2HD       MLZ 215 -12.376   3.524   0.757
 1083   1HE   MLZ 215          1HE       MLZ 215 -11.022   5.373  -1.052
 1084   2HE   MLZ 215          2HE       MLZ 215 -12.747   5.216  -1.436
 1085    HZ   MLZ 215           HZ       MLZ 215 -12.360   2.736  -1.036
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -11.112   2.679  -3.364
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -11.590   4.373  -3.322
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -12.811   3.111  -3.206
 1089    H    SER 216           H        SER 216 -16.917   5.784   3.376
 1090    HA   SER 216           HA       SER 216 -17.998   5.239   5.397
 1091   1HB   SER 216          1HB       SER 216 -16.060   7.143   6.711
 1092   2HB   SER 216          2HB       SER 216 -17.257   7.749   5.566
 1093    HG   SER 216           HG       SER 216 -17.647   7.306   8.072
 1094    H    ALA 217           H        ALA 217 -17.565   4.313   7.635
 1095    HA   ALA 217           HA       ALA 217 -14.924   2.887   7.682
 1096   1HB   ALA 217          1HB       ALA 217 -14.679   3.593   9.841
 1097   2HB   ALA 217          2HB       ALA 217 -16.364   3.249  10.227
 1098   3HB   ALA 217          3HB       ALA 217 -15.931   4.771   9.450
 1099    HA   PRO 218           HA       PRO 218 -17.041  -0.933   8.102
 1100   1HB   PRO 218          1HB       PRO 218 -16.087  -2.037  10.464
 1101   2HB   PRO 218          2HB       PRO 218 -15.200  -2.047   8.930
 1102   1HG   PRO 218          1HG       PRO 218 -14.889  -0.274  11.294
 1103   2HG   PRO 218          2HG       PRO 218 -13.661  -0.919  10.197
 1104   1HD   PRO 218          1HD       PRO 218 -14.568   1.644  10.091
 1105   2HD   PRO 218          2HD       PRO 218 -13.962   0.767   8.671
 1106    H    ALA 219           H        ALA 219 -16.983   0.904  11.154
 1107    HA   ALA 219           HA       ALA 219 -19.883   0.679  11.420
 1108   1HB   ALA 219          1HB       ALA 219 -18.588  -1.521  12.206
 1109   2HB   ALA 219          2HB       ALA 219 -19.970  -0.916  13.119
 1110   3HB   ALA 219          3HB       ALA 219 -18.330  -0.567  13.666
 1111    H    THR 220           H        THR 220 -18.664   3.025  11.292
 1112    HA   THR 220           HA       THR 220 -18.791   4.060  14.075
 1113    HB   THR 220           HB       THR 220 -16.466   4.435  12.149
 1114    HG1  THR 220           HG1      THR 220 -15.346   3.320  13.807
 1115   1HG2  THR 220          1HG2      THR 220 -16.109   6.348  13.292
 1116   2HG2  THR 220          2HG2      THR 220 -15.779   5.348  14.707
 1117   3HG2  THR 220          3HG2      THR 220 -17.403   5.978  14.432
 1118    H    GLY 221           H        GLY 221 -20.792   5.023  13.198
 1119   1HA   GLY 221          1HA       GLY 221 -20.621   6.882  10.953
 1120   2HA   GLY 221          2HA       GLY 221 -22.024   6.643  11.994
 1121   1H    MET   1          1H        MET   1  -0.587 -11.644   6.659
 1122   2H    MET   1          2H        MET   1  -0.324 -11.082   5.078
 1123   3H    MET   1          3H        MET   1  -0.955 -10.035   6.258
 1124    HA   MET   1           HA       MET   1   1.401  -9.576   5.861
 1125   1HB   MET   1          1HB       MET   1  -0.036 -10.108   8.269
 1126   2HB   MET   1          2HB       MET   1   1.623 -10.650   8.525
 1127   1HG   MET   1          1HG       MET   1   1.670  -8.363   9.130
 1128   2HG   MET   1          2HG       MET   1   2.314  -8.382   7.488
 1129   1HE   MET   1          1HE       MET   1   0.945  -5.206   7.650
 1130   2HE   MET   1          2HE       MET   1   1.591  -6.194   8.960
 1131   3HE   MET   1          3HE       MET   1  -0.060  -5.581   9.050
 1132    H    PHE   2           H        PHE   2   1.253 -12.567   7.824
 1133    HA   PHE   2           HA       PHE   2   3.881 -13.417   6.971
 1134   1HB   PHE   2          1HB       PHE   2   3.199 -15.488   8.225
 1135   2HB   PHE   2          2HB       PHE   2   2.912 -14.008   9.138
 1136    HD1  PHE   2           HD1      PHE   2   1.238 -16.471   6.879
 1137    HD2  PHE   2           HD2      PHE   2   0.751 -13.479   9.923
 1138    HE1  PHE   2           HE1      PHE   2  -1.164 -17.056   7.071
 1139    HE2  PHE   2           HE2      PHE   2  -1.651 -14.065  10.114
 1140    HZ   PHE   2           HZ       PHE   2  -2.609 -15.853   8.688
 1141    H    ASN   3           H        ASN   3   4.435 -15.013   5.460
 1142    HA   ASN   3           HA       ASN   3   2.252 -16.287   3.878
 1143   1HB   ASN   3          1HB       ASN   3   4.013 -14.086   3.104
 1144   2HB   ASN   3          2HB       ASN   3   4.176 -15.459   2.010
 1145   1HD2  ASN   3          1HD2      ASN   3   1.751 -13.234   3.429
 1146   2HD2  ASN   3          2HD2      ASN   3   0.605 -13.441   2.194
 1147    H    ASP   4           H        ASP   4   2.898 -18.283   2.958
 1148    HA   ASP   4           HA       ASP   4   4.857 -19.839   4.213
 1149   1HB   ASP   4          1HB       ASP   4   4.558 -21.307   2.211
 1150   2HB   ASP   4          2HB       ASP   4   3.020 -20.681   2.806
 1151    H    ARG   5           H        ARG   5   5.287 -17.472   1.675
 1152    HA   ARG   5           HA       ARG   5   7.970 -18.482   0.951
 1153   1HB   ARG   5          1HB       ARG   5   6.220 -16.144   0.121
 1154   2HB   ARG   5          2HB       ARG   5   7.825 -16.422  -0.553
 1155   1HG   ARG   5          1HG       ARG   5   6.631 -18.911  -0.763
 1156   2HG   ARG   5          2HG       ARG   5   5.301 -17.807  -1.114
 1157   1HD   ARG   5          1HD       ARG   5   7.865 -17.096  -2.418
 1158   2HD   ARG   5          2HD       ARG   5   7.125 -18.605  -2.988
 1159    HE   ARG   5           HE       ARG   5   6.015 -15.916  -3.317
 1160   1HH1  ARG   5          1HH1      ARG   5   5.313 -19.315  -3.044
 1161   2HH1  ARG   5          2HH1      ARG   5   3.804 -19.181  -3.878
 1162   1HH2  ARG   5          1HH2      ARG   5   4.052 -15.769  -4.396
 1163   2HH2  ARG   5          2HH2      ARG   5   3.094 -17.191  -4.638
 1164    H    VAL   6           H        VAL   6   6.522 -15.737   2.700
 1165    HA   VAL   6           HA       VAL   6   9.134 -15.247   4.015
 1166    HB   VAL   6           HB       VAL   6   9.061 -12.857   3.320
 1167   1HG1  VAL   6          1HG1      VAL   6   9.822 -13.191   1.082
 1168   2HG1  VAL   6          2HG1      VAL   6   8.800 -14.612   0.871
 1169   3HG1  VAL   6          3HG1      VAL   6  10.202 -14.686   1.938
 1170   1HG2  VAL   6          1HG2      VAL   6   7.346 -12.757   1.173
 1171   2HG2  VAL   6          2HG2      VAL   6   6.980 -12.124   2.778
 1172   3HG2  VAL   6          3HG2      VAL   6   6.433 -13.737   2.320
 1173    H    ILE   7           H        ILE   7   8.633 -13.001   5.401
 1174    HA   ILE   7           HA       ILE   7   5.888 -12.989   6.476
 1175    HB   ILE   7           HB       ILE   7   6.927 -14.908   7.596
 1176   1HG1  ILE   7          1HG1      ILE   7   7.005 -12.594   9.542
 1177   2HG1  ILE   7          2HG1      ILE   7   5.494 -13.229   8.892
 1178   1HG2  ILE   7          1HG2      ILE   7   9.099 -14.945   8.236
 1179   2HG2  ILE   7          2HG2      ILE   7   8.971 -13.379   9.036
 1180   3HG2  ILE   7          3HG2      ILE   7   9.272 -13.461   7.301
 1181   1HD1  ILE   7          1HD1      ILE   7   7.316 -14.393  10.901
 1182   2HD1  ILE   7          2HD1      ILE   7   6.763 -15.532   9.673
 1183   3HD1  ILE   7          3HD1      ILE   7   5.589 -14.660  10.659
 1184    H    VAL   8           H        VAL   8   5.636 -11.234   8.105
 1185    HA   VAL   8           HA       VAL   8   7.507  -9.000   7.526
 1186    HB   VAL   8           HB       VAL   8   5.066  -8.746   7.197
 1187   1HG1  VAL   8          1HG1      VAL   8   3.593  -9.591   8.676
 1188   2HG1  VAL   8          2HG1      VAL   8   4.286  -8.623   9.976
 1189   3HG1  VAL   8          3HG1      VAL   8   4.952 -10.214   9.610
 1190   1HG2  VAL   8          1HG2      VAL   8   6.150  -7.168   9.553
 1191   2HG2  VAL   8          2HG2      VAL   8   4.761  -6.702   8.570
 1192   3HG2  VAL   8          3HG2      VAL   8   6.370  -6.765   7.850
 1193    H    LYS   9           H        LYS   9   8.826  -8.135   9.078
 1194    HA   LYS   9           HA       LYS   9   8.392  -8.881  11.932
 1195   1HB   LYS   9          1HB       LYS   9  10.961  -9.097  10.333
 1196   2HB   LYS   9          2HB       LYS   9  10.821  -9.394  12.065
 1197   1HG   LYS   9          1HG       LYS   9   8.810 -10.975  11.046
 1198   2HG   LYS   9          2HG       LYS   9  10.052 -11.110   9.803
 1199   1HD   LYS   9          1HD       LYS   9  11.702 -11.777  11.485
 1200   2HD   LYS   9          2HD       LYS   9  10.511 -11.561  12.767
 1201   1HE   LYS   9          1HE       LYS   9   9.073 -13.294  11.551
 1202   2HE   LYS   9          2HE       LYS   9  10.503 -13.639  10.558
 1203   1HZ   LYS   9          1HZ       LYS   9  10.378 -15.028  12.589
 1204   2HZ   LYS   9          2HZ       LYS   9  10.472 -13.620  13.534
 1205   3HZ   LYS   9          3HZ       LYS   9  11.775 -14.062  12.539
 1206    H    LYS  10           H        LYS  10   9.638  -5.592  12.742
 1207    HA   LYS  10           HA       LYS  10   8.955  -6.663  14.694
 1208   1HB   LYS  10          1HB       LYS  10   7.178  -7.529  12.471
 1209   2HB   LYS  10          2HB       LYS  10   7.039  -8.435  13.978
 1210   1HG   LYS  10          1HG       LYS  10   6.868  -5.417  13.713
 1211   2HG   LYS  10          2HG       LYS  10   5.493  -6.499  13.933
 1212   1HD   LYS  10          1HD       LYS  10   6.984  -7.312  16.011
 1213   2HD   LYS  10          2HD       LYS  10   7.580  -5.657  15.889
 1214   1HE   LYS  10          1HE       LYS  10   5.729  -5.329  17.276
 1215   2HE   LYS  10          2HE       LYS  10   4.962  -5.124  15.689
 1216   1HZ   LYS  10          1HZ       LYS  10   3.856  -6.791  17.180
 1217   2HZ   LYS  10          2HZ       LYS  10   5.250  -7.751  17.049
 1218   3HZ   LYS  10          3HZ       LYS  10   4.327  -7.401  15.667
 1219    H    SER  11           H        SER  11  11.291  -7.628  14.375
 1220    HA   SER  11           HA       SER  11  11.069 -10.621  14.373
 1221   1HB   SER  11          1HB       SER  11  13.691 -10.118  13.862
 1222   2HB   SER  11          2HB       SER  11  12.485 -10.240  12.585
 1223    HG   SER  11           HG       SER  11  12.795  -8.223  12.173
 1224    HA   PRO  12           HA       PRO  12  12.750 -10.717  18.423
 1225   1HB   PRO  12          1HB       PRO  12  14.884 -12.482  18.213
 1226   2HB   PRO  12          2HB       PRO  12  13.186 -12.980  18.325
 1227   1HG   PRO  12          1HG       PRO  12  14.956 -12.778  15.946
 1228   2HG   PRO  12          2HG       PRO  12  13.689 -13.956  16.314
 1229   1HD   PRO  12          1HD       PRO  12  13.360 -11.905  14.559
 1230   2HD   PRO  12          2HD       PRO  12  12.024 -12.606  15.497
 1231    H    LEU  13           H        LEU  13  14.901  -9.960  15.785
 1232    HA   LEU  13           HA       LEU  13  16.414  -8.126  17.567
 1233   1HB   LEU  13          1HB       LEU  13  17.325 -10.684  16.467
 1234   2HB   LEU  13          2HB       LEU  13  18.377  -9.350  15.994
 1235    HG   LEU  13           HG       LEU  13  17.501  -9.428  18.840
 1236   1HD1  LEU  13          1HD1      LEU  13  19.829 -11.133  17.991
 1237   2HD1  LEU  13          2HD1      LEU  13  18.203 -11.814  18.001
 1238   3HD1  LEU  13          3HD1      LEU  13  18.904 -11.186  19.492
 1239   1HD2  LEU  13          1HD2      LEU  13  20.314  -9.084  17.899
 1240   2HD2  LEU  13          2HD2      LEU  13  19.444  -8.225  19.169
 1241   3HD2  LEU  13          3HD2      LEU  13  19.154  -7.826  17.476
 1242    H    GLY  14           H        GLY  14  14.499  -7.817  15.292
 1243   1HA   GLY  14          1HA       GLY  14  16.285  -6.194  13.543
 1244   2HA   GLY  14          2HA       GLY  14  15.124  -7.294  12.800
 1245    H    GLY  15           H        GLY  15  15.209  -4.361  12.589
 1246   1HA   GLY  15          1HA       GLY  15  13.143  -3.218  14.249
 1247   2HA   GLY  15          2HA       GLY  15  13.758  -2.518  12.752
 1248    H    TYR  16           H        TYR  16  12.206  -2.347  11.207
 1249    HA   TYR  16           HA       TYR  16   9.988  -4.364  11.216
 1250   1HB   TYR  16          1HB       TYR  16  10.191  -1.415  10.639
 1251   2HB   TYR  16          2HB       TYR  16   8.874  -2.352   9.935
 1252    HD1  TYR  16           HD1      TYR  16   6.999  -2.997  11.236
 1253    HD2  TYR  16           HD2      TYR  16  10.528  -1.490  13.166
 1254    HE1  TYR  16           HE1      TYR  16   5.782  -2.913  13.395
 1255    HE2  TYR  16           HE2      TYR  16   9.312  -1.406  15.325
 1256    HH   TYR  16           HH       TYR  16   6.606  -1.186  15.901
 1257    H    GLY  17           H        GLY  17  11.986  -5.421   9.881
 1258   1HA   GLY  17          1HA       GLY  17  11.749  -4.575   7.023
 1259   2HA   GLY  17          2HA       GLY  17  13.087  -5.520   7.679
 1260    H    VAL  18           H        VAL  18  12.307  -6.900   5.700
 1261    HA   VAL  18           HA       VAL  18   9.977  -8.607   6.466
 1262    HB   VAL  18           HB       VAL  18  11.525  -8.109   3.903
 1263   1HG1  VAL  18          1HG1      VAL  18  10.913 -10.475   3.932
 1264   2HG1  VAL  18          2HG1      VAL  18   9.839  -9.617   2.826
 1265   3HG1  VAL  18          3HG1      VAL  18   9.270 -10.072   4.433
 1266   1HG2  VAL  18          1HG2      VAL  18   9.896  -6.388   4.565
 1267   2HG2  VAL  18          2HG2      VAL  18   8.646  -7.621   4.716
 1268   3HG2  VAL  18          3HG2      VAL  18   9.337  -7.256   3.135
 1269    H    PHE  19           H        PHE  19  10.241 -10.933   6.431
 1270    HA   PHE  19           HA       PHE  19  13.078 -11.811   6.861
 1271   1HB   PHE  19          1HB       PHE  19  10.519 -12.179   8.257
 1272   2HB   PHE  19          2HB       PHE  19  11.364 -13.701   7.977
 1273    HD1  PHE  19           HD1      PHE  19  12.716 -14.369   9.743
 1274    HD2  PHE  19           HD2      PHE  19  12.352 -10.182   8.858
 1275    HE1  PHE  19           HE1      PHE  19  14.284 -13.842  11.591
 1276    HE2  PHE  19           HE2      PHE  19  13.920  -9.655  10.705
 1277    HZ   PHE  19           HZ       PHE  19  14.886 -11.485  12.071
 1278    H    ALA  20           H        ALA  20  13.836 -13.274   5.391
 1279    HA   ALA  20           HA       ALA  20  11.972 -14.403   3.396
 1280   1HB   ALA  20          1HB       ALA  20  13.909 -13.606   2.384
 1281   2HB   ALA  20          2HB       ALA  20  14.393 -15.279   2.656
 1282   3HB   ALA  20          3HB       ALA  20  14.921 -14.016   3.768
 1283    H    ARG  21           H        ARG  21  10.868 -16.044   4.625
 1284    HA   ARG  21           HA       ARG  21  12.097 -18.003   6.297
 1285   1HB   ARG  21          1HB       ARG  21   9.574 -17.321   5.476
 1286   2HB   ARG  21          2HB       ARG  21   9.821 -18.812   4.567
 1287   1HG   ARG  21          1HG       ARG  21  10.010 -20.110   6.488
 1288   2HG   ARG  21          2HG       ARG  21  10.552 -18.752   7.475
 1289   1HD   ARG  21          1HD       ARG  21   8.351 -17.879   7.681
 1290   2HD   ARG  21          2HD       ARG  21   7.752 -18.851   6.324
 1291    HE   ARG  21           HE       ARG  21   8.858 -20.571   8.347
 1292   1HH1  ARG  21          1HH1      ARG  21   6.109 -18.546   7.665
 1293   2HH1  ARG  21          2HH1      ARG  21   5.046 -19.461   8.676
 1294   1HH2  ARG  21          1HH2      ARG  21   7.459 -21.742   9.653
 1295   2HH2  ARG  21          2HH2      ARG  21   5.802 -21.257   9.795
 1296    H    LYS  22           H        LYS  22  12.029 -17.596   2.842
 1297    HA   LYS  22           HA       LYS  22  12.890 -20.363   2.272
 1298   1HB   LYS  22          1HB       LYS  22  11.705 -18.089   0.943
 1299   2HB   LYS  22          2HB       LYS  22  13.117 -18.621   0.037
 1300   1HG   LYS  22          1HG       LYS  22  11.654 -20.130  -0.862
 1301   2HG   LYS  22          2HG       LYS  22  11.950 -21.018   0.633
 1302   1HD   LYS  22          1HD       LYS  22   9.908 -20.470   1.523
 1303   2HD   LYS  22          2HD       LYS  22   9.882 -18.885   0.750
 1304   1HE   LYS  22          1HE       LYS  22   8.807 -19.684  -1.105
 1305   2HE   LYS  22          2HE       LYS  22   9.763 -21.179  -1.124
 1306   1HZ   LYS  22          1HZ       LYS  22   8.514 -21.933   0.824
 1307   2HZ   LYS  22          2HZ       LYS  22   7.477 -21.646  -0.489
 1308   3HZ   LYS  22          3HZ       LYS  22   7.571 -20.522   0.780
 1309    H    SER  23           H        SER  23  16.297 -19.443   1.182
 1310    HA   SER  23           HA       SER  23  13.889 -21.122   0.675
 1311   1HB   SER  23          1HB       SER  23  16.118 -22.102   1.271
 1312   2HB   SER  23          2HB       SER  23  15.559 -22.631  -0.315
 1313    HG   SER  23           HG       SER  23  17.015 -21.383  -1.280
 1314    H    PHE  24           H        PHE  24  15.754 -18.569  -0.745
 1315    HA   PHE  24           HA       PHE  24  14.190 -18.871  -3.277
 1316   1HB   PHE  24          1HB       PHE  24  15.439 -16.538  -1.793
 1317   2HB   PHE  24          2HB       PHE  24  14.767 -16.378  -3.415
 1318    HD1  PHE  24           HD1      PHE  24  13.954 -15.457  -0.334
 1319    HD2  PHE  24           HD2      PHE  24  12.409 -18.100  -3.348
 1320    HE1  PHE  24           HE1      PHE  24  11.681 -15.229   0.631
 1321    HE2  PHE  24           HE2      PHE  24  10.136 -17.872  -2.383
 1322    HZ   PHE  24           HZ       PHE  24   9.772 -16.436  -0.394
 1323    H    GLU  25           H        GLU  25  15.360 -18.127  -5.274
 1324    HA   GLU  25           HA       GLU  25  18.256 -18.887  -5.147
 1325   1HB   GLU  25          1HB       GLU  25  15.962 -19.507  -6.869
 1326   2HB   GLU  25          2HB       GLU  25  17.378 -19.003  -7.792
 1327   1HG   GLU  25          1HG       GLU  25  18.716 -20.736  -6.884
 1328   2HG   GLU  25          2HG       GLU  25  17.568 -21.056  -5.585
 1329    H    LYS  26           H        LYS  26  19.066 -17.907  -7.602
 1330    HA   LYS  26           HA       LYS  26  19.194 -15.015  -7.071
 1331   1HB   LYS  26          1HB       LYS  26  20.970 -16.845  -7.921
 1332   2HB   LYS  26          2HB       LYS  26  20.370 -16.321  -9.494
 1333   1HG   LYS  26          1HG       LYS  26  20.961 -14.029  -9.039
 1334   2HG   LYS  26          2HG       LYS  26  21.327 -14.403  -7.355
 1335   1HD   LYS  26          1HD       LYS  26  23.300 -15.547  -7.905
 1336   2HD   LYS  26          2HD       LYS  26  22.789 -15.821  -9.571
 1337   1HE   LYS  26          1HE       LYS  26  22.828 -13.001  -9.186
 1338   2HE   LYS  26          2HE       LYS  26  24.348 -13.638  -8.530
 1339   1HZ   LYS  26          1HZ       LYS  26  24.675 -13.385 -10.852
 1340   2HZ   LYS  26          2HZ       LYS  26  23.184 -14.108 -11.223
 1341   3HZ   LYS  26          3HZ       LYS  26  24.451 -15.048 -10.594
 1342    H    GLY  27           H        GLY  27  17.141 -14.161  -7.650
 1343   1HA   GLY  27          1HA       GLY  27  16.127 -12.933  -9.537
 1344   2HA   GLY  27          2HA       GLY  27  16.524 -14.306 -10.570
 1345    H    GLU  28           H        GLU  28  14.877 -14.011  -7.399
 1346    HA   GLU  28           HA       GLU  28  12.624 -15.609  -8.575
 1347   1HB   GLU  28          1HB       GLU  28  14.232 -15.748  -6.082
 1348   2HB   GLU  28          2HB       GLU  28  12.500 -16.003  -5.871
 1349   1HG   GLU  28          1HG       GLU  28  14.245 -17.483  -7.863
 1350   2HG   GLU  28          2HG       GLU  28  13.705 -18.132  -6.314
 1351    H    LEU  29           H        LEU  29  10.744 -14.452  -8.676
 1352    HA   LEU  29           HA       LEU  29  10.441 -11.834  -7.503
 1353   1HB   LEU  29          1HB       LEU  29   9.340 -13.061  -9.564
 1354   2HB   LEU  29          2HB       LEU  29   8.163 -13.609  -8.369
 1355    HG   LEU  29           HG       LEU  29   7.407 -11.519  -9.430
 1356   1HD1  LEU  29          1HD1      LEU  29   6.747 -10.460  -7.454
 1357   2HD1  LEU  29          2HD1      LEU  29   8.309 -10.719  -6.677
 1358   3HD1  LEU  29          3HD1      LEU  29   7.185 -12.065  -6.868
 1359   1HD2  LEU  29          1HD2      LEU  29   9.289  -9.699  -8.231
 1360   2HD2  LEU  29          2HD2      LEU  29   8.867  -9.882  -9.933
 1361   3HD2  LEU  29          3HD2      LEU  29  10.159 -10.858  -9.236
 1362    H    VAL  30           H        VAL  30  10.653 -11.952  -5.223
 1363    HA   VAL  30           HA       VAL  30   9.375 -13.937  -3.574
 1364    HB   VAL  30           HB       VAL  30  10.358 -11.114  -3.009
 1365   1HG1  VAL  30          1HG1      VAL  30   8.840 -12.669  -1.348
 1366   2HG1  VAL  30          2HG1      VAL  30  10.026 -11.491  -0.786
 1367   3HG1  VAL  30          3HG1      VAL  30  10.466 -13.195  -0.913
 1368   1HG2  VAL  30          1HG2      VAL  30  11.875 -13.606  -2.335
 1369   2HG2  VAL  30          2HG2      VAL  30  12.483 -11.998  -2.730
 1370   3HG2  VAL  30          3HG2      VAL  30  11.882 -13.052  -4.009
 1371    H    GLU  31           H        GLU  31   8.439 -10.648  -4.582
 1372    HA   GLU  31           HA       GLU  31   5.611 -11.253  -4.241
 1373   1HB   GLU  31          1HB       GLU  31   6.949 -10.678  -1.933
 1374   2HB   GLU  31          2HB       GLU  31   6.476  -9.054  -2.434
 1375   1HG   GLU  31          1HG       GLU  31   4.193 -10.604  -2.881
 1376   2HG   GLU  31          2HG       GLU  31   4.831 -11.200  -1.348
 1377    H    GLU  32           H        GLU  32   4.273  -9.290  -4.765
 1378    HA   GLU  32           HA       GLU  32   5.711  -6.984  -5.928
 1379   1HB   GLU  32          1HB       GLU  32   4.758  -7.427  -8.173
 1380   2HB   GLU  32          2HB       GLU  32   5.764  -8.778  -7.651
 1381   1HG   GLU  32          1HG       GLU  32   3.559  -9.780  -6.716
 1382   2HG   GLU  32          2HG       GLU  32   2.754  -8.603  -7.753
 1383    H    CYS  33           H        CYS  33   4.376  -5.162  -5.978
 1384    HA   CYS  33           HA       CYS  33   1.442  -5.535  -5.611
 1385   1HB   CYS  33          1HB       CYS  33   3.417  -4.170  -3.767
 1386   2HB   CYS  33          2HB       CYS  33   1.702  -3.759  -3.736
 1387    HG   CYS  33           HG       CYS  33   1.352  -5.786  -2.371
 1388    H    LEU  34           H        LEU  34   0.540  -3.061  -5.410
 1389    HA   LEU  34           HA       LEU  34   1.520  -1.724  -7.873
 1390   1HB   LEU  34          1HB       LEU  34  -0.973  -2.205  -6.545
 1391   2HB   LEU  34          2HB       LEU  34  -0.743  -0.459  -6.641
 1392    HG   LEU  34           HG       LEU  34  -0.279  -0.669  -9.068
 1393   1HD1  LEU  34          1HD1      LEU  34  -1.310  -3.470  -9.061
 1394   2HD1  LEU  34          2HD1      LEU  34   0.370  -3.228  -8.583
 1395   3HD1  LEU  34          3HD1      LEU  34  -0.181  -2.692 -10.170
 1396   1HD2  LEU  34          1HD2      LEU  34  -2.570  -1.131  -9.754
 1397   2HD2  LEU  34          2HD2      LEU  34  -2.599  -0.286  -8.207
 1398   3HD2  LEU  34          3HD2      LEU  34  -2.870  -2.027  -8.265
 1399    H    CYS  35           H        CYS  35   1.446   0.769  -7.752
 1400    HA   CYS  35           HA       CYS  35   2.231   1.849  -5.093
 1401   1HB   CYS  35          1HB       CYS  35   3.904   1.737  -7.620
 1402   2HB   CYS  35          2HB       CYS  35   4.257   2.868  -6.313
 1403    HG   CYS  35           HG       CYS  35   4.072   0.256  -4.991
 1404    H    ILE  36           H        ILE  36   2.798   4.365  -5.578
 1405    HA   ILE  36           HA       ILE  36   0.655   5.376  -7.423
 1406    HB   ILE  36           HB       ILE  36   1.637   6.500  -4.774
 1407   1HG1  ILE  36          1HG1      ILE  36  -0.909   4.991  -5.443
 1408   2HG1  ILE  36          2HG1      ILE  36   0.443   4.348  -4.512
 1409   1HG2  ILE  36          1HG2      ILE  36   0.669   8.370  -5.637
 1410   2HG2  ILE  36          2HG2      ILE  36  -0.848   7.549  -5.268
 1411   3HG2  ILE  36          3HG2      ILE  36  -0.173   7.464  -6.895
 1412   1HD1  ILE  36          1HD1      ILE  36  -0.630   6.950  -3.578
 1413   2HD1  ILE  36          2HD1      ILE  36  -0.099   5.551  -2.646
 1414   3HD1  ILE  36          3HD1      ILE  36  -1.704   5.566  -3.377
 1415    H    VAL  37           H        VAL  37   1.227   7.140  -8.734
 1416    HA   VAL  37           HA       VAL  37   4.092   8.017  -8.560
 1417    HB   VAL  37           HB       VAL  37   2.227   7.839 -10.957
 1418   1HG1  VAL  37          1HG1      VAL  37   4.257   9.482 -10.886
 1419   2HG1  VAL  37          2HG1      VAL  37   4.075   8.424 -12.286
 1420   3HG1  VAL  37          3HG1      VAL  37   5.233   8.019 -11.018
 1421   1HG2  VAL  37          1HG2      VAL  37   3.956   5.872  -9.601
 1422   2HG2  VAL  37          2HG2      VAL  37   4.219   5.993 -11.341
 1423   3HG2  VAL  37          3HG2      VAL  37   2.615   5.610 -10.716
 1424    H    ARG  38           H        ARG  38   3.916   9.976  -7.465
 1425    HA   ARG  38           HA       ARG  38   2.072  12.014  -8.669
 1426   1HB   ARG  38          1HB       ARG  38   2.945  11.719  -5.775
 1427   2HB   ARG  38          2HB       ARG  38   1.754  12.859  -6.393
 1428   1HG   ARG  38          1HG       ARG  38   1.434   9.867  -6.707
 1429   2HG   ARG  38          2HG       ARG  38   0.826  10.737  -5.299
 1430   1HD   ARG  38          1HD       ARG  38  -0.196  12.314  -7.240
 1431   2HD   ARG  38          2HD       ARG  38  -0.157  10.770  -8.113
 1432    HE   ARG  38           HE       ARG  38  -1.148  10.249  -5.505
 1433   1HH1  ARG  38          1HH1      ARG  38  -2.058  12.001  -8.373
 1434   2HH1  ARG  38          2HH1      ARG  38  -3.752  11.827  -8.073
 1435   1HH2  ARG  38          1HH2      ARG  38  -3.352  10.037  -5.138
 1436   2HH2  ARG  38          2HH2      ARG  38  -4.482  10.724  -6.257
 1437    H    HIS  39           H        HIS  39   2.908  14.256  -8.462
 1438    HA   HIS  39           HA       HIS  39   5.786  14.387  -8.967
 1439   1HB   HIS  39          1HB       HIS  39   3.398  16.205  -8.987
 1440   2HB   HIS  39          2HB       HIS  39   5.001  16.939  -8.964
 1441    HD1  HIS  39           HD1      HIS  39   4.047  17.674 -11.485
 1442    HD2  HIS  39           HD2      HIS  39   5.224  13.711 -10.943
 1443    HE1  HIS  39           HE1      HIS  39   4.437  16.720 -13.798
 1444    H    ASN  40           H        ASN  40   7.008  16.264  -7.797
 1445    HA   ASN  40           HA       ASN  40   7.223  15.647  -5.007
 1446   1HB   ASN  40          1HB       ASN  40   8.160  18.049  -6.623
 1447   2HB   ASN  40          2HB       ASN  40   8.830  17.530  -5.077
 1448   1HD2  ASN  40          1HD2      ASN  40   9.786  17.530  -8.127
 1449   2HD2  ASN  40          2HD2      ASN  40  10.512  16.002  -8.264
 1450    H    ASP  41           H        ASP  41   7.456  18.722  -4.407
 1451    HA   ASP  41           HA       ASP  41   6.098  20.412  -3.489
 1452   1HB   ASP  41          1HB       ASP  41   4.913  19.691  -5.822
 1453   2HB   ASP  41          2HB       ASP  41   3.630  19.257  -4.693
 1454    H    ASP  42           H        ASP  42   3.259  19.995  -2.765
 1455    HA   ASP  42           HA       ASP  42   3.396  19.212  -0.120
 1456   1HB   ASP  42          1HB       ASP  42   1.166  18.743  -2.133
 1457   2HB   ASP  42          2HB       ASP  42   0.949  18.779  -0.383
 1458    H    TRP  43           H        TRP  43   2.980  17.052  -2.915
 1459    HA   TRP  43           HA       TRP  43   2.346  14.646  -1.580
 1460   1HB   TRP  43          1HB       TRP  43   2.293  14.884  -3.990
 1461   2HB   TRP  43          2HB       TRP  43   4.005  15.297  -4.040
 1462    HD1  TRP  43           HD1      TRP  43   5.514  13.382  -4.689
 1463    HE1  TRP  43           HE1      TRP  43   5.418  10.811  -4.552
 1464    HE3  TRP  43           HE3      TRP  43   1.037  12.792  -2.303
 1465    HZ2  TRP  43           HZ2      TRP  43   3.677   8.777  -3.566
 1466    HZ3  TRP  43           HZ3      TRP  43   0.185  10.525  -1.776
 1467    HH2  TRP  43           HH2      TRP  43   1.498   8.517  -2.404
 1468    H    GLY  44           H        GLY  44   5.632  15.670  -2.616
 1469   1HA   GLY  44          1HA       GLY  44   7.046  13.638  -1.263
 1470   2HA   GLY  44          2HA       GLY  44   7.728  15.214  -1.662
 1471    H    THR  45           H        THR  45   5.721  16.668  -0.044
 1472    HA   THR  45           HA       THR  45   7.140  16.593   2.486
 1473    HB   THR  45           HB       THR  45   4.575  17.960   1.593
 1474    HG1  THR  45           HG1      THR  45   5.850  19.380   0.724
 1475   1HG2  THR  45          1HG2      THR  45   4.448  18.884   3.650
 1476   2HG2  THR  45          2HG2      THR  45   6.163  19.294   3.635
 1477   3HG2  THR  45          3HG2      THR  45   5.643  17.696   4.171
 1478    H    ALA  46           H        ALA  46   3.599  16.328   2.007
 1479    HA   ALA  46           HA       ALA  46   2.924  15.183   4.448
 1480   1HB   ALA  46          1HB       ALA  46   1.084  15.676   3.152
 1481   2HB   ALA  46          2HB       ALA  46   1.183  13.960   2.757
 1482   3HB   ALA  46          3HB       ALA  46   1.873  15.159   1.662
 1483    H    LEU  47           H        LEU  47   3.988  13.434   1.516
 1484    HA   LEU  47           HA       LEU  47   3.943  10.872   3.001
 1485   1HB   LEU  47          1HB       LEU  47   4.258  11.817   0.163
 1486   2HB   LEU  47          2HB       LEU  47   4.799  10.193   0.584
 1487    HG   LEU  47           HG       LEU  47   2.452  10.179  -0.196
 1488   1HD1  LEU  47          1HD1      LEU  47   2.319   9.709   2.767
 1489   2HD1  LEU  47          2HD1      LEU  47   3.417   8.738   1.787
 1490   3HD1  LEU  47          3HD1      LEU  47   1.685   8.718   1.453
 1491   1HD2  LEU  47          1HD2      LEU  47   1.728  11.730   2.285
 1492   2HD2  LEU  47          2HD2      LEU  47   0.749  11.426   0.850
 1493   3HD2  LEU  47          3HD2      LEU  47   2.093  12.566   0.776
 1494    H    GLU  48           H        GLU  48   6.050  13.238   3.284
 1495    HA   GLU  48           HA       GLU  48   8.565  12.285   2.353
 1496   1HB   GLU  48          1HB       GLU  48   9.460  13.818   4.077
 1497   2HB   GLU  48          2HB       GLU  48   8.095  14.553   3.240
 1498   1HG   GLU  48          1HG       GLU  48   7.176  14.905   5.269
 1499   2HG   GLU  48          2HG       GLU  48   6.937  13.162   5.379
 1500    H    ASP  49           H        ASP  49   8.487   9.949   2.742
 1501    HA   ASP  49           HA       ASP  49   9.826   9.106   5.139
 1502   1HB   ASP  49          1HB       ASP  49   7.095   9.600   5.454
 1503   2HB   ASP  49          2HB       ASP  49   7.173   7.852   5.230
 1504    H    TYR  50           H        TYR  50   7.169   7.567   3.300
 1505    HA   TYR  50           HA       TYR  50   9.135   5.485   2.401
 1506   1HB   TYR  50          1HB       TYR  50   6.115   5.333   2.744
 1507   2HB   TYR  50          2HB       TYR  50   7.200   3.980   2.432
 1508    HD1  TYR  50           HD1      TYR  50   5.270   5.107   4.914
 1509    HD2  TYR  50           HD2      TYR  50   9.453   4.436   4.203
 1510    HE1  TYR  50           HE1      TYR  50   5.645   4.860   7.352
 1511    HE2  TYR  50           HE2      TYR  50   9.827   4.189   6.642
 1512    HH   TYR  50           HH       TYR  50   8.067   3.438   8.705
 1513    H    LEU  51           H        LEU  51   9.321   7.500   0.716
 1514    HA   LEU  51           HA       LEU  51   7.303   7.067  -1.454
 1515   1HB   LEU  51          1HB       LEU  51   9.092   9.347  -0.591
 1516   2HB   LEU  51          2HB       LEU  51   8.374   9.326  -2.200
 1517    HG   LEU  51           HG       LEU  51   6.859   9.187   0.425
 1518   1HD1  LEU  51          1HD1      LEU  51   5.932  11.376  -0.860
 1519   2HD1  LEU  51          2HD1      LEU  51   7.588  11.364  -1.465
 1520   3HD1  LEU  51          3HD1      LEU  51   7.284  11.437   0.271
 1521   1HD2  LEU  51          1HD2      LEU  51   5.570   7.945  -1.098
 1522   2HD2  LEU  51          2HD2      LEU  51   6.033   8.959  -2.463
 1523   3HD2  LEU  51          3HD2      LEU  51   4.907   9.571  -1.252
 1524    H    PHE  52           H        PHE  52   8.060   5.745  -3.043
 1525    HA   PHE  52           HA       PHE  52  10.965   5.475  -3.547
 1526   1HB   PHE  52          1HB       PHE  52   8.408   4.101  -4.223
 1527   2HB   PHE  52          2HB       PHE  52   9.688   3.978  -5.430
 1528    HD1  PHE  52           HD1      PHE  52  11.446   2.441  -5.144
 1529    HD2  PHE  52           HD2      PHE  52   9.032   3.554  -1.770
 1530    HE1  PHE  52           HE1      PHE  52  12.582   0.722  -3.764
 1531    HE2  PHE  52           HE2      PHE  52  10.167   1.836  -0.390
 1532    HZ   PHE  52           HZ       PHE  52  11.942   0.419  -1.386
 1533    H    SER  53           H        SER  53  11.483   7.552  -4.438
 1534    HA   SER  53           HA       SER  53   9.874   8.535  -6.716
 1535   1HB   SER  53          1HB       SER  53  11.168  10.572  -6.337
 1536   2HB   SER  53          2HB       SER  53  10.646   9.947  -4.773
 1537    HG   SER  53           HG       SER  53  13.183   9.667  -5.998
 1538    H    ARG  54           H        ARG  54  10.683   8.797  -8.798
 1539    HA   ARG  54           HA       ARG  54  13.285   7.429  -9.381
 1540   1HB   ARG  54          1HB       ARG  54  10.780   6.882 -10.297
 1541   2HB   ARG  54          2HB       ARG  54  11.301   8.045 -11.517
 1542   1HG   ARG  54          1HG       ARG  54  13.006   6.677 -12.289
 1543   2HG   ARG  54          2HG       ARG  54  13.195   5.861 -10.737
 1544   1HD   ARG  54          1HD       ARG  54  12.113   4.191 -11.966
 1545   2HD   ARG  54          2HD       ARG  54  10.709   5.032 -11.283
 1546    HE   ARG  54           HE       ARG  54  11.278   6.460 -13.591
 1547   1HH1  ARG  54          1HH1      ARG  54  10.684   3.109 -12.860
 1548   2HH1  ARG  54          2HH1      ARG  54   9.998   2.778 -14.412
 1549   1HH2  ARG  54          1HH2      ARG  54  10.383   6.005 -15.600
 1550   2HH2  ARG  54          2HH2      ARG  54   9.828   4.403 -15.953
 1551    H    LYS  55           H        LYS  55  14.038   8.430 -11.719
 1552    HA   LYS  55           HA       LYS  55  14.694  11.210 -11.137
 1553   1HB   LYS  55          1HB       LYS  55  15.745   9.052 -12.576
 1554   2HB   LYS  55          2HB       LYS  55  15.296  10.216 -13.822
 1555   1HG   LYS  55          1HG       LYS  55  16.854  11.026 -11.361
 1556   2HG   LYS  55          2HG       LYS  55  17.653  10.452 -12.825
 1557   1HD   LYS  55          1HD       LYS  55  15.655  12.412 -13.521
 1558   2HD   LYS  55          2HD       LYS  55  16.727  13.074 -12.286
 1559   1HE   LYS  55          1HE       LYS  55  17.878  13.578 -14.288
 1560   2HE   LYS  55          2HE       LYS  55  18.635  12.051 -13.796
 1561   1HZ   LYS  55          1HZ       LYS  55  16.476  12.481 -15.782
 1562   2HZ   LYS  55          2HZ       LYS  55  16.751  10.957 -15.083
 1563   3HZ   LYS  55          3HZ       LYS  55  17.968  11.701 -16.006
 1564    H    ASN  56           H        ASN  56  12.282  11.790 -11.171
 1565    HA   ASN  56           HA       ASN  56  10.875  11.886 -13.700
 1566   1HB   ASN  56          1HB       ASN  56  11.166  14.585 -13.430
 1567   2HB   ASN  56          2HB       ASN  56  12.741  14.043 -12.854
 1568   1HD2  ASN  56          1HD2      ASN  56  10.587  12.751 -15.448
 1569   2HD2  ASN  56          2HD2      ASN  56  11.762  12.834 -16.669
 1570    H    MET  57           H        MET  57  10.540  11.320 -10.746
 1571    HA   MET  57           HA       MET  57   8.825  13.451  -9.710
 1572   1HB   MET  57          1HB       MET  57   6.804  11.991  -9.947
 1573   2HB   MET  57          2HB       MET  57   7.445  12.520 -11.491
 1574   1HG   MET  57          1HG       MET  57   8.528   9.970 -10.418
 1575   2HG   MET  57          2HG       MET  57   6.845   9.943 -10.943
 1576   1HE   MET  57          1HE       MET  57   6.227  11.528 -12.899
 1577   2HE   MET  57          2HE       MET  57   6.125   9.909 -13.590
 1578   3HE   MET  57          3HE       MET  57   6.890  11.210 -14.502
 1579    H    SER  58           H        SER  58   7.236  12.067  -8.014
 1580    HA   SER  58           HA       SER  58   9.047  10.247  -6.471
 1581   1HB   SER  58          1HB       SER  58   7.767  11.478  -4.494
 1582   2HB   SER  58          2HB       SER  58   9.167  12.238  -5.251
 1583    HG   SER  58           HG       SER  58   7.903  13.772  -5.861
 1584    H    ALA  59           H        ALA  59   8.029   8.294  -6.150
 1585    HA   ALA  59           HA       ALA  59   5.045   8.220  -6.373
 1586   1HB   ALA  59          1HB       ALA  59   5.580   6.588  -7.853
 1587   2HB   ALA  59          2HB       ALA  59   6.186   5.631  -6.501
 1588   3HB   ALA  59          3HB       ALA  59   7.281   6.683  -7.397
 1589    H    MET  60           H        MET  60   4.024   6.421  -5.032
 1590    HA   MET  60           HA       MET  60   5.165   6.466  -2.269
 1591   1HB   MET  60          1HB       MET  60   2.701   7.130  -3.285
 1592   2HB   MET  60          2HB       MET  60   2.426   5.457  -2.807
 1593   1HG   MET  60          1HG       MET  60   3.702   7.480  -0.956
 1594   2HG   MET  60          2HG       MET  60   1.959   7.228  -1.021
 1595   1HE   MET  60          1HE       MET  60   4.149   6.842   1.424
 1596   2HE   MET  60          2HE       MET  60   3.322   5.537   2.275
 1597   3HE   MET  60          3HE       MET  60   2.393   6.872   1.593
 1598    H    ALA  61           H        ALA  61   5.347   4.479  -1.097
 1599    HA   ALA  61           HA       ALA  61   5.715   2.088  -2.773
 1600   1HB   ALA  61          1HB       ALA  61   6.949   3.157  -0.583
 1601   2HB   ALA  61          2HB       ALA  61   7.075   1.455  -1.030
 1602   3HB   ALA  61          3HB       ALA  61   5.906   1.963   0.190
 1603    H    LEU  62           H        LEU  62   3.445   1.717  -3.345
 1604    HA   LEU  62           HA       LEU  62   1.405   0.570  -3.067
 1605   1HB   LEU  62          1HB       LEU  62   0.940   1.417  -0.333
 1606   2HB   LEU  62          2HB       LEU  62   1.661   2.733  -1.258
 1607    HG   LEU  62           HG       LEU  62  -0.071   2.250  -3.062
 1608   1HD1  LEU  62          1HD1      LEU  62  -1.915   1.044  -1.143
 1609   2HD1  LEU  62          2HD1      LEU  62  -0.538  -0.002  -1.491
 1610   3HD1  LEU  62          3HD1      LEU  62  -1.564   0.572  -2.806
 1611   1HD2  LEU  62          1HD2      LEU  62  -0.198   4.069  -1.259
 1612   2HD2  LEU  62          2HD2      LEU  62  -1.306   2.996  -0.406
 1613   3HD2  LEU  62          3HD2      LEU  62  -1.725   3.603  -2.007
 1614    H    GLY  63           H        GLY  63   3.007  -1.389  -2.884
 1615   1HA   GLY  63          1HA       GLY  63   2.030  -3.098  -0.782
 1616   2HA   GLY  63          2HA       GLY  63   3.293  -3.519  -1.937
 1617    H    PHE  64           H        PHE  64   4.584  -4.482  -0.288
 1618    HA   PHE  64           HA       PHE  64   5.427  -2.909   2.043
 1619   1HB   PHE  64          1HB       PHE  64   5.800  -5.651   0.890
 1620   2HB   PHE  64          2HB       PHE  64   6.981  -5.095   2.076
 1621    HD1  PHE  64           HD1      PHE  64   3.308  -4.429   1.780
 1622    HD2  PHE  64           HD2      PHE  64   6.472  -6.172   4.103
 1623    HE1  PHE  64           HE1      PHE  64   1.700  -4.915   3.604
 1624    HE2  PHE  64           HE2      PHE  64   4.865  -6.659   5.928
 1625    HZ   PHE  64           HZ       PHE  64   2.479  -6.030   5.678
 1626    H    GLY  65           H        GLY  65   6.158  -1.428  -0.168
 1627   1HA   GLY  65          1HA       GLY  65   8.926  -2.079  -0.917
 1628   2HA   GLY  65          2HA       GLY  65   8.011  -0.671  -1.458
 1629    H    ALA  66           H        ALA  66   7.261  -0.145   1.446
 1630    HA   ALA  66           HA       ALA  66   9.565   1.567   2.053
 1631   1HB   ALA  66          1HB       ALA  66   7.169   1.079   3.820
 1632   2HB   ALA  66          2HB       ALA  66   6.970   1.938   2.292
 1633   3HB   ALA  66          3HB       ALA  66   8.040   2.586   3.536
 1634    H    ILE  67           H        ILE  67   7.844  -1.073   3.751
 1635    HA   ILE  67           HA       ILE  67   9.324  -1.336   6.056
 1636    HB   ILE  67           HB       ILE  67   8.843  -3.836   5.781
 1637   1HG1  ILE  67          1HG1      ILE  67   7.259  -4.302   3.829
 1638   2HG1  ILE  67          2HG1      ILE  67   7.870  -2.825   3.097
 1639   1HG2  ILE  67          1HG2      ILE  67   7.270  -2.190   6.791
 1640   2HG2  ILE  67          2HG2      ILE  67   6.437  -3.508   5.968
 1641   3HG2  ILE  67          3HG2      ILE  67   6.564  -1.927   5.196
 1642   1HD1  ILE  67          1HD1      ILE  67  10.030  -4.518   4.070
 1643   2HD1  ILE  67          2HD1      ILE  67   9.786  -3.828   2.466
 1644   3HD1  ILE  67          3HD1      ILE  67   9.016  -5.354   2.894
 1645    H    PHE  68           H        PHE  68  10.501  -2.051   2.824
 1646    HA   PHE  68           HA       PHE  68  12.682  -3.758   3.508
 1647   1HB   PHE  68          1HB       PHE  68  12.186  -1.708   1.327
 1648   2HB   PHE  68          2HB       PHE  68  13.605  -2.752   1.335
 1649    HD1  PHE  68           HD1      PHE  68  12.528  -5.296   2.363
 1650    HD2  PHE  68           HD2      PHE  68  10.824  -2.500  -0.420
 1651    HE1  PHE  68           HE1      PHE  68  11.192  -7.119   1.349
 1652    HE2  PHE  68           HE2      PHE  68   9.488  -4.327  -1.434
 1653    HZ   PHE  68           HZ       PHE  68   9.672  -6.636  -0.549
 1654    H    ASN  69           H        ASN  69  14.130  -3.192   5.097
 1655    HA   ASN  69           HA       ASN  69  14.859  -0.398   5.606
 1656   1HB   ASN  69          1HB       ASN  69  15.734  -3.102   6.681
 1657   2HB   ASN  69          2HB       ASN  69  16.326  -1.570   7.325
 1658   1HD2  ASN  69          1HD2      ASN  69  14.292  -3.829   8.282
 1659   2HD2  ASN  69          2HD2      ASN  69  13.009  -2.907   8.903
 1660    H    HIS  70           H        HIS  70  17.446  -0.227   6.051
 1661    HA   HIS  70           HA       HIS  70  18.724  -0.842   3.421
 1662   1HB   HIS  70          1HB       HIS  70  18.442   1.500   4.679
 1663   2HB   HIS  70          2HB       HIS  70  19.895   0.958   5.519
 1664    HD1  HIS  70           HD1      HIS  70  20.366   3.325   3.793
 1665    HD2  HIS  70           HD2      HIS  70  20.504  -0.540   2.237
 1666    HE1  HIS  70           HE1      HIS  70  21.735   3.457   1.667
 1667    H    SER  71           H        SER  71  20.084  -2.592   3.444
 1668    HA   SER  71           HA       SER  71  21.517  -3.221   6.006
 1669   1HB   SER  71          1HB       SER  71  19.729  -4.817   5.335
 1670   2HB   SER  71          2HB       SER  71  20.533  -5.051   3.783
 1671    HG   SER  71           HG       SER  71  21.758  -6.442   4.727
 1672    H    LYS  72           H        LYS  72  23.669  -4.188   5.714
 1673    HA   LYS  72           HA       LYS  72  25.222  -2.891   3.631
 1674   1HB   LYS  72          1HB       LYS  72  25.950  -3.401   5.982
 1675   2HB   LYS  72          2HB       LYS  72  25.937  -5.117   5.576
 1676   1HG   LYS  72          1HG       LYS  72  28.088  -4.824   4.933
 1677   2HG   LYS  72          2HG       LYS  72  27.428  -3.996   3.524
 1678   1HD   LYS  72          1HD       LYS  72  27.797  -1.875   4.434
 1679   2HD   LYS  72          2HD       LYS  72  27.808  -2.480   6.091
 1680   1HE   LYS  72          1HE       LYS  72  29.931  -3.616   4.372
 1681   2HE   LYS  72          2HE       LYS  72  30.081  -1.877   4.687
 1682   1HZ   LYS  72          1HZ       LYS  72  31.031  -3.436   6.439
 1683   2HZ   LYS  72          2HZ       LYS  72  29.422  -3.820   6.827
 1684   3HZ   LYS  72          3HZ       LYS  72  29.979  -2.224   6.993
 1685    H    ASP  73           H        ASP  73  23.607  -5.961   3.917
 1686    HA   ASP  73           HA       ASP  73  24.720  -6.748   1.261
 1687   1HB   ASP  73          1HB       ASP  73  25.913  -7.798   3.276
 1688   2HB   ASP  73          2HB       ASP  73  24.400  -8.644   3.607
 1689    HA   PRO  74           HA       PRO  74  20.064  -7.208   1.853
 1690   1HB   PRO  74          1HB       PRO  74  19.979  -5.711  -0.697
 1691   2HB   PRO  74          2HB       PRO  74  19.093  -5.406   0.806
 1692   1HG   PRO  74          1HG       PRO  74  21.110  -3.834  -0.060
 1693   2HG   PRO  74          2HG       PRO  74  20.734  -4.069   1.652
 1694   1HD   PRO  74          1HD       PRO  74  22.944  -5.215   0.023
 1695   2HD   PRO  74          2HD       PRO  74  22.923  -4.744   1.736
 1696    H    ASN  75           H        ASN  75  19.716  -9.305   1.196
 1697    HA   ASN  75           HA       ASN  75  20.842 -10.270  -1.367
 1698   1HB   ASN  75          1HB       ASN  75  19.263 -11.596   0.872
 1699   2HB   ASN  75          2HB       ASN  75  20.047 -12.451  -0.456
 1700   1HD2  ASN  75          1HD2      ASN  75  20.722 -12.754   2.398
 1701   2HD2  ASN  75          2HD2      ASN  75  22.335 -12.257   2.573
 1702    H    ALA  76           H        ALA  76  18.431  -8.350  -1.158
 1703    HA   ALA  76           HA       ALA  76  16.804  -9.738  -3.185
 1704   1HB   ALA  76          1HB       ALA  76  16.179  -9.869  -0.427
 1705   2HB   ALA  76          2HB       ALA  76  15.140 -10.347  -1.769
 1706   3HB   ALA  76          3HB       ALA  76  15.043  -8.711  -1.118
 1707    H    ARG  77           H        ARG  77  15.745  -8.234  -4.515
 1708    HA   ARG  77           HA       ARG  77  15.769  -5.371  -3.635
 1709   1HB   ARG  77          1HB       ARG  77  17.486  -6.591  -5.486
 1710   2HB   ARG  77          2HB       ARG  77  16.282  -5.775  -6.482
 1711   1HG   ARG  77          1HG       ARG  77  16.688  -3.670  -5.298
 1712   2HG   ARG  77          2HG       ARG  77  17.831  -4.473  -4.220
 1713   1HD   ARG  77          1HD       ARG  77  19.085  -3.326  -5.984
 1714   2HD   ARG  77          2HD       ARG  77  19.207  -5.074  -6.259
 1715    HE   ARG  77           HE       ARG  77  16.882  -4.242  -7.603
 1716   1HH1  ARG  77          1HH1      ARG  77  20.293  -3.549  -7.707
 1717   2HH1  ARG  77          2HH1      ARG  77  20.277  -3.173  -9.394
 1718   1HH2  ARG  77          1HH2      ARG  77  16.889  -3.747  -9.794
 1719   2HH2  ARG  77          2HH2      ARG  77  18.367  -3.283 -10.569
 1720    H    HIS  78           H        HIS  78  14.727  -4.352  -6.065
 1721    HA   HIS  78           HA       HIS  78  12.165  -5.832  -6.466
 1722   1HB   HIS  78          1HB       HIS  78  10.983  -3.655  -6.055
 1723   2HB   HIS  78          2HB       HIS  78  11.852  -4.227  -4.632
 1724    HD1  HIS  78           HD1      HIS  78  14.254  -3.092  -4.207
 1725    HD2  HIS  78           HD2      HIS  78  11.826  -1.165  -6.995
 1726    HE1  HIS  78           HE1      HIS  78  15.231  -0.778  -4.529
 1727    H    GLU  79           H        GLU  79  10.889  -4.793  -8.299
 1728    HA   GLU  79           HA       GLU  79  12.707  -3.507 -10.309
 1729   1HB   GLU  79          1HB       GLU  79  12.037  -6.070 -10.436
 1730   2HB   GLU  79          2HB       GLU  79  10.514  -5.431 -11.053
 1731   1HG   GLU  79          1HG       GLU  79  11.914  -5.834 -12.964
 1732   2HG   GLU  79          2HG       GLU  79  11.884  -4.087 -12.719
 1733    H    LEU  80           H        LEU  80  11.483  -2.253 -11.965
 1734    HA   LEU  80           HA       LEU  80   8.756  -1.420 -11.039
 1735   1HB   LEU  80          1HB       LEU  80  11.276   0.134 -11.527
 1736   2HB   LEU  80          2HB       LEU  80   9.738   0.910 -11.907
 1737    HG   LEU  80           HG       LEU  80  10.296  -0.420  -9.244
 1738   1HD1  LEU  80          1HD1      LEU  80  11.815   1.321  -9.101
 1739   2HD1  LEU  80          2HD1      LEU  80  10.350   2.167  -8.606
 1740   3HD1  LEU  80          3HD1      LEU  80  10.938   2.319 -10.261
 1741   1HD2  LEU  80          1HD2      LEU  80   8.428   1.505  -8.827
 1742   2HD2  LEU  80          2HD2      LEU  80   8.023  -0.162  -9.236
 1743   3HD2  LEU  80          3HD2      LEU  80   8.058   1.072 -10.496
 1744    H    THR  81           H        THR  81   7.304  -1.504 -12.707
 1745    HA   THR  81           HA       THR  81   8.092  -2.207 -15.397
 1746    HB   THR  81           HB       THR  81   5.564  -1.606 -15.718
 1747    HG1  THR  81           HG1      THR  81   5.062  -0.371 -14.050
 1748   1HG2  THR  81          1HG2      THR  81   6.585  -3.680 -13.762
 1749   2HG2  THR  81          2HG2      THR  81   6.242  -3.898 -15.478
 1750   3HG2  THR  81          3HG2      THR  81   4.919  -3.643 -14.340
 1751    H    ALA  82           H        ALA  82   6.594  -0.637 -17.072
 1752    HA   ALA  82           HA       ALA  82   8.225   1.611 -17.613
 1753   1HB   ALA  82          1HB       ALA  82   6.081   0.240 -18.735
 1754   2HB   ALA  82          2HB       ALA  82   6.849   1.667 -19.432
 1755   3HB   ALA  82          3HB       ALA  82   5.409   1.842 -18.429
 1756    H    GLY  83           H        GLY  83   8.472   2.828 -15.631
 1757   1HA   GLY  83          1HA       GLY  83   7.777   5.010 -14.749
 1758   2HA   GLY  83          2HA       GLY  83   6.100   4.526 -15.004
 1759    H    LEU  84           H        LEU  84   6.317   5.365 -12.576
 1760    HA   LEU  84           HA       LEU  84   7.275   3.259 -10.728
 1761   1HB   LEU  84          1HB       LEU  84   6.064   6.030 -10.446
 1762   2HB   LEU  84          2HB       LEU  84   6.507   5.036  -9.059
 1763    HG   LEU  84           HG       LEU  84   8.515   5.521 -11.242
 1764   1HD1  LEU  84          1HD1      LEU  84   8.769   7.344  -8.980
 1765   2HD1  LEU  84          2HD1      LEU  84   7.279   7.624  -9.881
 1766   3HD1  LEU  84          3HD1      LEU  84   8.836   7.692 -10.708
 1767   1HD2  LEU  84          1HD2      LEU  84   8.470   4.677  -8.372
 1768   2HD2  LEU  84          2HD2      LEU  84   9.896   5.530  -8.963
 1769   3HD2  LEU  84          3HD2      LEU  84   9.398   4.017  -9.720
 1770    H    LYS  85           H        LYS  85   5.218   2.203 -12.238
 1771    HA   LYS  85           HA       LYS  85   2.720   2.536 -10.650
 1772   1HB   LYS  85          1HB       LYS  85   3.432   1.236 -13.300
 1773   2HB   LYS  85          2HB       LYS  85   1.812   1.185 -12.606
 1774   1HG   LYS  85          1HG       LYS  85   2.279   3.831 -12.406
 1775   2HG   LYS  85          2HG       LYS  85   3.292   3.474 -13.805
 1776   1HD   LYS  85          1HD       LYS  85   1.412   2.497 -14.987
 1777   2HD   LYS  85          2HD       LYS  85   0.387   2.642 -13.559
 1778   1HE   LYS  85          1HE       LYS  85  -0.195   4.729 -14.225
 1779   2HE   LYS  85          2HE       LYS  85   1.504   5.226 -14.103
 1780   1HZ   LYS  85          1HZ       LYS  85   0.836   5.483 -16.369
 1781   2HZ   LYS  85          2HZ       LYS  85   0.163   3.924 -16.417
 1782   3HZ   LYS  85          3HZ       LYS  85   1.846   4.119 -16.297
 1783    H    ARG  86           H        ARG  86   3.862  -0.386 -12.316
 1784    HA   ARG  86           HA       ARG  86   3.034  -2.045 -10.058
 1785   1HB   ARG  86          1HB       ARG  86   3.028  -2.401 -12.685
 1786   2HB   ARG  86          2HB       ARG  86   4.665  -2.994 -12.401
 1787   1HG   ARG  86          1HG       ARG  86   3.878  -4.939 -11.576
 1788   2HG   ARG  86          2HG       ARG  86   2.840  -4.086 -10.433
 1789   1HD   ARG  86          1HD       ARG  86   1.247  -3.683 -12.414
 1790   2HD   ARG  86          2HD       ARG  86   2.206  -4.898 -13.282
 1791    HE   ARG  86           HE       ARG  86   1.432  -5.747 -10.594
 1792   1HH1  ARG  86          1HH1      ARG  86   0.475  -5.554 -13.936
 1793   2HH1  ARG  86          2HH1      ARG  86  -0.629  -6.879 -13.811
 1794   1HH2  ARG  86          1HH2      ARG  86  -0.007  -7.464 -10.457
 1795   2HH2  ARG  86          2HH2      ARG  86  -0.901  -7.954 -11.857
 1796    H    MET  87           H        MET  87   4.340  -2.771  -8.434
 1797    HA   MET  87           HA       MET  87   7.300  -2.383  -8.727
 1798   1HB   MET  87          1HB       MET  87   5.287  -1.707  -6.721
 1799   2HB   MET  87          2HB       MET  87   6.609  -2.636  -6.015
 1800   1HG   MET  87          1HG       MET  87   8.179  -1.026  -7.265
 1801   2HG   MET  87          2HG       MET  87   6.757  -0.012  -7.504
 1802   1HE   MET  87          1HE       MET  87   8.867  -1.997  -5.159
 1803   2HE   MET  87          2HE       MET  87   7.397  -2.306  -4.235
 1804   3HE   MET  87          3HE       MET  87   8.672  -1.296  -3.553
 1805    H    ARG  88           H        ARG  88   8.560  -4.215  -8.505
 1806    HA   ARG  88           HA       ARG  88   7.198  -6.711  -7.540
 1807   1HB   ARG  88          1HB       ARG  88   9.408  -6.326  -9.594
 1808   2HB   ARG  88          2HB       ARG  88   8.645  -7.861  -9.181
 1809   1HG   ARG  88          1HG       ARG  88   6.528  -7.138 -10.053
 1810   2HG   ARG  88          2HG       ARG  88   7.093  -5.475 -10.214
 1811   1HD   ARG  88          1HD       ARG  88   7.354  -6.231 -12.414
 1812   2HD   ARG  88          2HD       ARG  88   8.949  -6.637 -11.752
 1813    HE   ARG  88           HE       ARG  88   8.343  -8.912 -11.935
 1814   1HH1  ARG  88          1HH1      ARG  88   5.503  -6.903 -11.804
 1815   2HH1  ARG  88          2HH1      ARG  88   4.419  -8.232 -12.027
 1816   1HH2  ARG  88          1HH2      ARG  88   6.915 -10.620 -12.222
 1817   2HH2  ARG  88          2HH2      ARG  88   5.210 -10.321 -12.261
 1818    H    ILE  89           H        ILE  89   8.726  -8.309  -6.561
 1819    HA   ILE  89           HA       ILE  89  11.128  -7.005  -5.325
 1820    HB   ILE  89           HB       ILE  89   9.051  -8.835  -4.064
 1821   1HG1  ILE  89          1HG1      ILE  89   9.685  -5.925  -3.495
 1822   2HG1  ILE  89          2HG1      ILE  89   8.341  -6.460  -4.504
 1823   1HG2  ILE  89          1HG2      ILE  89  11.458  -7.445  -2.847
 1824   2HG2  ILE  89          2HG2      ILE  89  11.338  -9.175  -3.169
 1825   3HG2  ILE  89          3HG2      ILE  89  10.281  -8.425  -1.973
 1826   1HD1  ILE  89          1HD1      ILE  89   7.093  -7.050  -2.708
 1827   2HD1  ILE  89          2HD1      ILE  89   8.238  -6.101  -1.760
 1828   3HD1  ILE  89          3HD1      ILE  89   8.456  -7.844  -1.921
 1829    H    PHE  90           H        PHE  90  12.658  -8.105  -6.613
 1830    HA   PHE  90           HA       PHE  90  12.438 -11.040  -6.947
 1831   1HB   PHE  90          1HB       PHE  90  14.110  -8.777  -8.015
 1832   2HB   PHE  90          2HB       PHE  90  14.695 -10.431  -8.195
 1833    HD1  PHE  90           HD1      PHE  90  12.275  -7.952  -9.312
 1834    HD2  PHE  90           HD2      PHE  90  13.299 -12.123  -9.411
 1835    HE1  PHE  90           HE1      PHE  90  10.745  -8.282 -11.236
 1836    HE2  PHE  90           HE2      PHE  90  11.769 -12.452 -11.335
 1837    HZ   PHE  90           HZ       PHE  90  10.492 -10.532 -12.248
 1838    H    THR  91           H        THR  91  14.859 -12.065  -6.756
 1839    HA   THR  91           HA       THR  91  15.793 -11.349  -3.998
 1840    HB   THR  91           HB       THR  91  16.357 -14.058  -5.040
 1841    HG1  THR  91           HG1      THR  91  14.063 -14.586  -4.531
 1842   1HG2  THR  91          1HG2      THR  91  15.461 -14.633  -2.798
 1843   2HG2  THR  91          2HG2      THR  91  15.067 -12.931  -2.552
 1844   3HG2  THR  91          3HG2      THR  91  16.751 -13.430  -2.741
 1845    H    ILE  92           H        ILE  92  17.388  -9.871  -5.041
 1846    HA   ILE  92           HA       ILE  92  19.383 -10.781  -6.874
 1847    HB   ILE  92           HB       ILE  92  20.674  -8.837  -5.862
 1848   1HG1  ILE  92          1HG1      ILE  92  18.341  -7.911  -4.352
 1849   2HG1  ILE  92          2HG1      ILE  92  19.096  -9.336  -3.647
 1850   1HG2  ILE  92          1HG2      ILE  92  17.774  -8.404  -6.633
 1851   2HG2  ILE  92          2HG2      ILE  92  19.154  -8.470  -7.730
 1852   3HG2  ILE  92          3HG2      ILE  92  18.997  -7.134  -6.588
 1853   1HD1  ILE  92          1HD1      ILE  92  21.185  -8.253  -3.409
 1854   2HD1  ILE  92          2HD1      ILE  92  20.015  -7.018  -2.943
 1855   3HD1  ILE  92          3HD1      ILE  92  20.747  -6.978  -4.547
 1856    H    LYS  93           H        LYS  93  20.290 -12.686  -6.386
 1857    HA   LYS  93           HA       LYS  93  21.999 -14.056  -5.465
 1858   1HB   LYS  93          1HB       LYS  93  21.901 -12.358  -2.959
 1859   2HB   LYS  93          2HB       LYS  93  23.184 -13.434  -3.483
 1860   1HG   LYS  93          1HG       LYS  93  22.463 -10.723  -4.600
 1861   2HG   LYS  93          2HG       LYS  93  24.003 -11.271  -3.959
 1862   1HD   LYS  93          1HD       LYS  93  24.606 -11.650  -6.099
 1863   2HD   LYS  93          2HD       LYS  93  23.525 -13.041  -6.046
 1864   1HE   LYS  93          1HE       LYS  93  22.177 -12.045  -7.573
 1865   2HE   LYS  93          2HE       LYS  93  21.954 -10.667  -6.478
 1866   1HZ   LYS  93          1HZ       LYS  93  24.314 -11.096  -8.241
 1867   2HZ   LYS  93          2HZ       LYS  93  24.055  -9.761  -7.224
 1868   3HZ   LYS  93          3HZ       LYS  93  23.047 -10.014  -8.566
 1869    HA   PRO  94           HA       PRO  94  18.758 -16.669  -3.888
 1870   1HB   PRO  94          1HB       PRO  94  21.215 -18.174  -3.025
 1871   2HB   PRO  94          2HB       PRO  94  19.728 -18.793  -3.775
 1872   1HG   PRO  94          1HG       PRO  94  21.902 -18.434  -5.222
 1873   2HG   PRO  94          2HG       PRO  94  20.315 -18.005  -5.869
 1874   1HD   PRO  94          1HD       PRO  94  22.509 -16.242  -4.911
 1875   2HD   PRO  94          2HD       PRO  94  21.292 -15.955  -6.171
 1876    H    ILE  95           H        ILE  95  17.866 -17.076  -1.808
 1877    HA   ILE  95           HA       ILE  95  19.434 -15.930   0.470
 1878    HB   ILE  95           HB       ILE  95  16.487 -15.857  -0.240
 1879   1HG1  ILE  95          1HG1      ILE  95  18.534 -13.665   0.214
 1880   2HG1  ILE  95          2HG1      ILE  95  18.021 -14.247  -1.370
 1881   1HG2  ILE  95          1HG2      ILE  95  17.845 -15.578   2.358
 1882   2HG2  ILE  95          2HG2      ILE  95  16.137 -15.833   2.007
 1883   3HG2  ILE  95          3HG2      ILE  95  16.817 -14.207   1.944
 1884   1HD1  ILE  95          1HD1      ILE  95  16.461 -12.694   0.673
 1885   2HD1  ILE  95          2HD1      ILE  95  15.610 -13.741  -0.463
 1886   3HD1  ILE  95          3HD1      ILE  95  16.608 -12.416  -1.063
 1887    H    ALA  96           H        ALA  96  19.183 -17.003   2.519
 1888    HA   ALA  96           HA       ALA  96  18.354 -19.857   2.280
 1889   1HB   ALA  96          1HB       ALA  96  20.003 -18.281   4.290
 1890   2HB   ALA  96          2HB       ALA  96  20.627 -19.361   3.043
 1891   3HB   ALA  96          3HB       ALA  96  19.708 -20.017   4.398
 1892    H    ILE  97           H        ILE  97  17.111 -20.792   4.098
 1893    HA   ILE  97           HA       ILE  97  14.803 -19.261   4.810
 1894    HB   ILE  97           HB       ILE  97  16.045 -21.792   5.952
 1895   1HG1  ILE  97          1HG1      ILE  97  13.658 -22.136   4.367
 1896   2HG1  ILE  97          2HG1      ILE  97  14.852 -21.218   3.450
 1897   1HG2  ILE  97          1HG2      ILE  97  13.753 -20.245   6.806
 1898   2HG2  ILE  97          2HG2      ILE  97  14.427 -21.712   7.518
 1899   3HG2  ILE  97          3HG2      ILE  97  13.236 -21.827   6.222
 1900   1HD1  ILE  97          1HD1      ILE  97  14.929 -24.033   4.364
 1901   2HD1  ILE  97          2HD1      ILE  97  16.437 -23.140   4.559
 1902   3HD1  ILE  97          3HD1      ILE  97  15.697 -23.282   2.965
 1903    H    GLY  98           H        GLY  98  14.787 -17.584   6.248
 1904   1HA   GLY  98          1HA       GLY  98  14.923 -16.927   8.618
 1905   2HA   GLY  98          2HA       GLY  98  16.403 -17.878   8.742
 1906    H    GLU  99           H        GLU  99  15.800 -15.826   5.961
 1907    HA   GLU  99           HA       GLU  99  18.099 -14.122   6.828
 1908   1HB   GLU  99          1HB       GLU  99  16.871 -15.001   4.220
 1909   2HB   GLU  99          2HB       GLU  99  17.829 -13.522   4.253
 1910   1HG   GLU  99          1HG       GLU  99  18.754 -16.277   5.127
 1911   2HG   GLU  99          2HG       GLU  99  19.259 -15.424   3.670
 1912    H    GLU 100           H        GLU 100  17.832 -11.790   5.742
 1913    HA   GLU 100           HA       GLU 100  15.079 -10.815   6.437
 1914   1HB   GLU 100          1HB       GLU 100  16.748 -10.061   8.030
 1915   2HB   GLU 100          2HB       GLU 100  17.845  -9.586   6.734
 1916   1HG   GLU 100          1HG       GLU 100  16.759  -7.615   6.371
 1917   2HG   GLU 100          2HG       GLU 100  15.168  -8.342   6.594
 1918    H    ILE 101           H        ILE 101  13.996 -10.009   4.690
 1919    HA   ILE 101           HA       ILE 101  15.472  -9.448   2.192
 1920    HB   ILE 101           HB       ILE 101  12.523  -9.433   2.930
 1921   1HG1  ILE 101          1HG1      ILE 101  14.197 -11.509   1.488
 1922   2HG1  ILE 101          2HG1      ILE 101  13.648 -11.638   3.159
 1923   1HG2  ILE 101          1HG2      ILE 101  13.261  -8.066   0.894
 1924   2HG2  ILE 101          2HG2      ILE 101  12.061  -9.322   0.589
 1925   3HG2  ILE 101          3HG2      ILE 101  13.752  -9.598   0.172
 1926   1HD1  ILE 101          1HD1      ILE 101  11.557 -11.030   1.138
 1927   2HD1  ILE 101          2HD1      ILE 101  11.482 -12.081   2.551
 1928   3HD1  ILE 101          3HD1      ILE 101  12.253 -12.649   1.070
 1929    H    THR 102           H        THR 102  16.040  -7.420   1.609
 1930    HA   THR 102           HA       THR 102  14.452  -5.072   2.444
 1931    HB   THR 102           HB       THR 102  16.634  -4.079   3.393
 1932    HG1  THR 102           HG1      THR 102  18.299  -5.357   3.579
 1933   1HG2  THR 102          1HG2      THR 102  14.668  -5.032   4.726
 1934   2HG2  THR 102          2HG2      THR 102  16.220  -4.984   5.564
 1935   3HG2  THR 102          3HG2      THR 102  15.625  -6.504   4.893
 1936    H    ILE 103           H        ILE 103  15.692  -3.020   1.510
 1937    HA   ILE 103           HA       ILE 103  17.188  -3.743  -0.972
 1938    HB   ILE 103           HB       ILE 103  15.668  -2.294  -2.261
 1939   1HG1  ILE 103          1HG1      ILE 103  13.499  -1.911  -0.509
 1940   2HG1  ILE 103          2HG1      ILE 103  14.928  -1.420   0.402
 1941   1HG2  ILE 103          1HG2      ILE 103  13.665  -3.686  -2.152
 1942   2HG2  ILE 103          2HG2      ILE 103  14.106  -4.240  -0.537
 1943   3HG2  ILE 103          3HG2      ILE 103  15.090  -4.700  -1.926
 1944   1HD1  ILE 103          1HD1      ILE 103  13.730  -0.221  -2.040
 1945   2HD1  ILE 103          2HD1      ILE 103  15.492  -0.272  -1.983
 1946   3HD1  ILE 103          3HD1      ILE 103  14.593   0.556  -0.712
 1947    H    SER 104           H        SER 104  18.401  -1.905  -1.857
 1948    HA   SER 104           HA       SER 104  19.405  -0.117   0.247
 1949   1HB   SER 104          1HB       SER 104  20.548  -1.408  -1.802
 1950   2HB   SER 104          2HB       SER 104  20.155   0.088  -2.650
 1951    HG   SER 104           HG       SER 104  21.702   1.034  -1.623
 1952    H    TYR 105           H        TYR 105  19.994   2.192  -1.190
 1953    HA   TYR 105           HA       TYR 105  17.280   3.260  -1.896
 1954   1HB   TYR 105          1HB       TYR 105  19.560   4.376  -0.241
 1955   2HB   TYR 105          2HB       TYR 105  18.250   5.396  -0.839
 1956    HD1  TYR 105           HD1      TYR 105  15.886   3.740  -0.625
 1957    HD2  TYR 105           HD2      TYR 105  19.229   4.039   2.055
 1958    HE1  TYR 105           HE1      TYR 105  14.448   2.991   1.250
 1959    HE2  TYR 105           HE2      TYR 105  17.791   3.290   3.932
 1960    HH   TYR 105           HH       TYR 105  15.397   1.742   3.906
 1961    H    GLY 106           H        GLY 106  20.448   4.877  -1.980
 1962   1HA   GLY 106          1HA       GLY 106  21.435   4.591  -4.464
 1963   2HA   GLY 106          2HA       GLY 106  19.972   5.503  -4.832
 1964    H    ASP 107           H        ASP 107  21.244   7.314  -5.561
 1965    HA   ASP 107           HA       ASP 107  23.338   8.631  -4.258
 1966   1HB   ASP 107          1HB       ASP 107  20.983   9.484  -5.936
 1967   2HB   ASP 107          2HB       ASP 107  22.095  10.704  -5.317
 1968    H    ASP 108           H        ASP 108  19.843   9.302  -3.824
 1969    HA   ASP 108           HA       ASP 108  20.314  11.005  -1.494
 1970   1HB   ASP 108          1HB       ASP 108  18.164  10.184  -3.282
 1971   2HB   ASP 108          2HB       ASP 108  17.629  10.144  -1.602
 1972    H    TYR 109           H        TYR 109  18.439  10.143   0.337
 1973    HA   TYR 109           HA       TYR 109  18.341   8.724   2.231
 1974   1HB   TYR 109          1HB       TYR 109  17.976   7.246  -0.308
 1975   2HB   TYR 109          2HB       TYR 109  18.286   6.229   1.100
 1976    HD1  TYR 109           HD1      TYR 109  16.420   5.531   2.301
 1977    HD2  TYR 109           HD2      TYR 109  16.298   9.306   0.256
 1978    HE1  TYR 109           HE1      TYR 109  14.082   5.863   3.055
 1979    HE2  TYR 109           HE2      TYR 109  13.959   9.639   1.010
 1980    HH   TYR 109           HH       TYR 109  12.032   8.148   1.728
 1981    H    TRP 110           H        TRP 110  20.420   9.075   3.175
 1982    HA   TRP 110           HA       TRP 110  22.741   7.499   2.296
 1983   1HB   TRP 110          1HB       TRP 110  23.795   8.690   4.262
 1984   2HB   TRP 110          2HB       TRP 110  23.058   9.771   3.083
 1985    HD1  TRP 110           HD1      TRP 110  21.294  11.406   3.950
 1986    HE1  TRP 110           HE1      TRP 110  20.018  11.709   6.171
 1987    HE3  TRP 110           HE3      TRP 110  22.769   7.186   6.384
 1988    HZ2  TRP 110           HZ2      TRP 110  19.672  10.329   8.660
 1989    HZ3  TRP 110           HZ3      TRP 110  21.962   6.694   8.661
 1990    HH2  TRP 110           HH2      TRP 110  20.415   8.258   9.813
 1991    H    LEU 111           H        LEU 111  23.777   5.877   3.569
 1992    HA   LEU 111           HA       LEU 111  21.894   4.261   5.171
 1993   1HB   LEU 111          1HB       LEU 111  23.248   3.240   3.407
 1994   2HB   LEU 111          2HB       LEU 111  24.727   3.854   4.142
 1995    HG   LEU 111           HG       LEU 111  23.544   2.487   6.234
 1996   1HD1  LEU 111          1HD1      LEU 111  21.883   1.299   5.151
 1997   2HD1  LEU 111          2HD1      LEU 111  23.235   0.193   4.909
 1998   3HD1  LEU 111          3HD1      LEU 111  22.748   1.287   3.614
 1999   1HD2  LEU 111          1HD2      LEU 111  25.466   1.327   4.196
 2000   2HD2  LEU 111          2HD2      LEU 111  25.329   0.878   5.897
 2001   3HD2  LEU 111          3HD2      LEU 111  25.933   2.474   5.452
 2002    H    SER 112           H        SER 112  25.390   4.688   5.749
 2003    HA   SER 112           HA       SER 112  25.131   6.159   8.206
 2004   1HB   SER 112          1HB       SER 112  24.000   4.235   9.061
 2005   2HB   SER 112          2HB       SER 112  25.132   3.131   8.281
 2006    HG   SER 112           HG       SER 112  25.494   4.756  10.546
 2007    H    ARG 113           H        ARG 113  27.107   3.233   7.855
 2008    HA   ARG 113           HA       ARG 113  29.540   4.916   7.998
 2009   1HB   ARG 113          1HB       ARG 113  28.795   2.024   8.392
 2010   2HB   ARG 113          2HB       ARG 113  30.490   2.466   8.186
 2011   1HG   ARG 113          1HG       ARG 113  30.439   3.902  10.106
 2012   2HG   ARG 113          2HG       ARG 113  28.681   3.806  10.210
 2013   1HD   ARG 113          1HD       ARG 113  29.481   1.135  10.303
 2014   2HD   ARG 113          2HD       ARG 113  30.690   1.976  11.291
 2015    HE   ARG 113           HE       ARG 113  28.203   3.096  11.982
 2016   1HH1  ARG 113          1HH1      ARG 113  29.725  -0.034  12.061
 2017   2HH1  ARG 113          2HH1      ARG 113  28.819  -0.562  13.435
 2018   1HH2  ARG 113          1HH2      ARG 113  27.039   2.387  13.766
 2019   2HH2  ARG 113          2HH2      ARG 113  27.309   0.796  14.395
 2020    HA   PRO 114           HA       PRO 114  29.908   4.389   3.552
 2021   1HB   PRO 114          1HB       PRO 114  32.387   5.604   3.338
 2022   2HB   PRO 114          2HB       PRO 114  30.854   6.491   3.389
 2023   1HG   PRO 114          1HG       PRO 114  32.846   6.014   5.543
 2024   2HG   PRO 114          2HG       PRO 114  31.857   7.443   5.216
 2025   1HD   PRO 114          1HD       PRO 114  31.298   5.649   7.187
 2026   2HD   PRO 114          2HD       PRO 114  30.055   6.612   6.362
 2027    H    ARG 115           H        ARG 115  30.271   2.021   4.583
 2028    HA   ARG 115           HA       ARG 115  33.110   1.210   4.049
 2029   1HB   ARG 115          1HB       ARG 115  30.940  -0.137   5.703
 2030   2HB   ARG 115          2HB       ARG 115  32.632  -0.628   5.613
 2031   1HG   ARG 115          1HG       ARG 115  31.708   2.090   6.592
 2032   2HG   ARG 115          2HG       ARG 115  32.081   0.735   7.657
 2033   1HD   ARG 115          1HD       ARG 115  34.061   1.823   5.628
 2034   2HD   ARG 115          2HD       ARG 115  34.010   2.354   7.319
 2035    HE   ARG 115           HE       ARG 115  33.984  -0.515   7.213
 2036   1HH1  ARG 115          1HH1      ARG 115  36.077   2.220   6.704
 2037   2HH1  ARG 115          2HH1      ARG 115  37.510   1.336   7.097
 2038   1HH2  ARG 115          1HH2      ARG 115  35.859  -1.641   7.720
 2039   2HH2  ARG 115          2HH2      ARG 115  37.391  -0.833   7.669
 2040    H    LEU 116           H        LEU 116  31.176   1.543   1.922
 2041    HA   LEU 116           HA       LEU 116  30.634  -1.311   1.169
 2042   1HB   LEU 116          1HB       LEU 116  29.270   1.332   0.669
 2043   2HB   LEU 116          2HB       LEU 116  28.996  -0.017  -0.433
 2044    HG   LEU 116           HG       LEU 116  28.524  -1.390   1.726
 2045   1HD1  LEU 116          1HD1      LEU 116  28.647   1.429   2.709
 2046   2HD1  LEU 116          2HD1      LEU 116  29.098  -0.065   3.530
 2047   3HD1  LEU 116          3HD1      LEU 116  27.398   0.380   3.380
 2048   1HD2  LEU 116          1HD2      LEU 116  26.155  -0.211   1.813
 2049   2HD2  LEU 116          2HD2      LEU 116  26.660  -1.091   0.370
 2050   3HD2  LEU 116          3HD2      LEU 116  26.781   0.668   0.417
 2051    H    THR 117           H        THR 117  33.228  -0.298   0.753
 2052    HA   THR 117           HA       THR 117  33.381  -0.428  -2.195
 2053    HB   THR 117           HB       THR 117  34.411   1.911  -0.544
 2054    HG1  THR 117           HG1      THR 117  32.778   3.010  -1.391
 2055   1HG2  THR 117          1HG2      THR 117  35.805   2.356  -2.254
 2056   2HG2  THR 117          2HG2      THR 117  34.454   2.326  -3.387
 2057   3HG2  THR 117          3HG2      THR 117  35.325   0.838  -3.014
 2058    H    GLN 118           H        GLN 118  35.475  -1.104  -2.898
 2059    HA   GLN 118           HA       GLN 118  37.294  -1.986  -0.684
 2060   1HB   GLN 118          1HB       GLN 118  36.089  -3.655  -2.207
 2061   2HB   GLN 118          2HB       GLN 118  37.086  -3.038  -3.524
 2062   1HG   GLN 118          1HG       GLN 118  38.769  -3.586  -1.260
 2063   2HG   GLN 118          2HG       GLN 118  37.781  -5.008  -1.595
 2064   1HE2  GLN 118          1HE2      GLN 118  37.958  -5.973  -3.780
 2065   2HE2  GLN 118          2HE2      GLN 118  39.314  -5.657  -4.751
 2066    H    ASN 119           H        ASN 119  37.260   0.682  -2.117
 2067    HA   ASN 119           HA       ASN 119  39.984   0.535  -3.367
 2068   1HB   ASN 119          1HB       ASN 119  37.421   1.813  -4.058
 2069   2HB   ASN 119          2HB       ASN 119  38.797   2.912  -4.162
 2070   1HD2  ASN 119          1HD2      ASN 119  39.097   2.959  -6.441
 2071   2HD2  ASN 119          2HD2      ASN 119  39.436   1.580  -7.370
 2072   1H    GLY 201          1H        GLY 201  29.161  26.174   5.706
 2073   2H    GLY 201          2H        GLY 201  28.242  25.471   6.948
 2074   3H    GLY 201          3H        GLY 201  29.237  24.499   5.974
 2075   1HA   GLY 201          1HA       GLY 201  29.956  26.286   8.181
 2076   2HA   GLY 201          2HA       GLY 201  30.573  24.680   7.791
 2077    H    LYS 202           H        LYS 202  30.872  28.101   7.129
 2078    HA   LYS 202           HA       LYS 202  32.550  29.317   5.994
 2079   1HB   LYS 202          1HB       LYS 202  34.009  26.745   6.710
 2080   2HB   LYS 202          2HB       LYS 202  34.797  28.256   6.257
 2081   1HG   LYS 202          1HG       LYS 202  34.546  29.094   8.337
 2082   2HG   LYS 202          2HG       LYS 202  32.830  28.687   8.354
 2083   1HD   LYS 202          1HD       LYS 202  33.318  26.414   9.045
 2084   2HD   LYS 202          2HD       LYS 202  35.050  26.681   8.851
 2085   1HE   LYS 202          1HE       LYS 202  34.564  28.677  10.568
 2086   2HE   LYS 202          2HE       LYS 202  33.222  27.613  11.029
 2087   1HZ   LYS 202          1HZ       LYS 202  36.070  26.789  10.757
 2088   2HZ   LYS 202          2HZ       LYS 202  34.783  25.778  11.211
 2089   3HZ   LYS 202          3HZ       LYS 202  35.266  27.048  12.230
 2090    H    ALA 203           H        ALA 203  30.797  27.973   4.240
 2091    HA   ALA 203           HA       ALA 203  32.442  27.774   1.852
 2092   1HB   ALA 203          1HB       ALA 203  32.436  25.535   3.412
 2093   2HB   ALA 203          2HB       ALA 203  32.614  25.486   1.658
 2094   3HB   ALA 203          3HB       ALA 203  31.034  25.211   2.393
 2095    HA   PRO 204           HA       PRO 204  28.574  28.623  -0.042
 2096   1HB   PRO 204          1HB       PRO 204  28.724  27.148  -2.385
 2097   2HB   PRO 204          2HB       PRO 204  29.548  28.697  -2.135
 2098   1HG   PRO 204          1HG       PRO 204  30.620  25.926  -1.987
 2099   2HG   PRO 204          2HG       PRO 204  31.386  27.402  -2.591
 2100   1HD   PRO 204          1HD       PRO 204  31.947  26.310  -0.163
 2101   2HD   PRO 204          2HD       PRO 204  32.074  28.049  -0.502
 2102    H    ARG 205           H        ARG 205  26.809  27.710   0.977
 2103    HA   ARG 205           HA       ARG 205  26.410  24.756   0.776
 2104   1HB   ARG 205          1HB       ARG 205  26.359  26.487   2.895
 2105   2HB   ARG 205          2HB       ARG 205  24.650  26.452   2.461
 2106   1HG   ARG 205          1HG       ARG 205  26.060  23.831   2.549
 2107   2HG   ARG 205          2HG       ARG 205  25.762  24.621   4.097
 2108   1HD   ARG 205          1HD       ARG 205  23.391  24.673   3.718
 2109   2HD   ARG 205          2HD       ARG 205  23.591  24.227   2.013
 2110    HE   ARG 205           HE       ARG 205  24.814  22.284   3.796
 2111   1HH1  ARG 205          1HH1      ARG 205  21.808  23.335   2.387
 2112   2HH1  ARG 205          2HH1      ARG 205  21.077  21.772   2.511
 2113   1HH2  ARG 205          1HH2      ARG 205  23.843  20.266   3.946
 2114   2HH2  ARG 205          2HH2      ARG 205  22.218  20.047   3.387
 2115    H    LYS 206           H        LYS 206  24.423  23.936  -0.036
 2116    HA   LYS 206           HA       LYS 206  22.645  25.947  -1.380
 2117   1HB   LYS 206          1HB       LYS 206  23.697  23.249  -2.300
 2118   2HB   LYS 206          2HB       LYS 206  22.439  24.143  -3.154
 2119   1HG   LYS 206          1HG       LYS 206  23.951  26.017  -3.512
 2120   2HG   LYS 206          2HG       LYS 206  25.197  25.243  -2.532
 2121   1HD   LYS 206          1HD       LYS 206  24.051  23.842  -4.942
 2122   2HD   LYS 206          2HD       LYS 206  25.350  25.022  -5.122
 2123   1HE   LYS 206          1HE       LYS 206  25.778  23.025  -2.973
 2124   2HE   LYS 206          2HE       LYS 206  25.798  22.377  -4.624
 2125   1HZ   LYS 206          1HZ       LYS 206  27.361  24.683  -3.581
 2126   2HZ   LYS 206          2HZ       LYS 206  27.272  24.265  -5.224
 2127   3HZ   LYS 206          3HZ       LYS 206  27.980  23.194  -4.113
 2128    H    GLN 207           H        GLN 207  20.851  25.878  -0.019
 2129    HA   GLN 207           HA       GLN 207  19.929  23.428   1.255
 2130   1HB   GLN 207          1HB       GLN 207  19.702  26.015   1.826
 2131   2HB   GLN 207          2HB       GLN 207  18.242  25.883   0.847
 2132   1HG   GLN 207          1HG       GLN 207  17.289  25.240   2.821
 2133   2HG   GLN 207          2HG       GLN 207  17.988  23.672   2.415
 2134   1HE2  GLN 207          1HE2      GLN 207  19.297  22.806   4.030
 2135   2HE2  GLN 207          2HE2      GLN 207  20.101  23.706   5.223
 2136    H    LEU 208           H        LEU 208  18.498  25.526  -1.286
 2137    HA   LEU 208           HA       LEU 208  16.449  23.583  -1.971
 2138   1HB   LEU 208          1HB       LEU 208  16.796  26.248  -2.279
 2139   2HB   LEU 208          2HB       LEU 208  17.328  25.711  -3.873
 2140    HG   LEU 208           HG       LEU 208  14.872  24.386  -2.949
 2141   1HD1  LEU 208          1HD1      LEU 208  13.716  26.203  -2.291
 2142   2HD1  LEU 208          2HD1      LEU 208  13.973  26.910  -3.887
 2143   3HD1  LEU 208          3HD1      LEU 208  15.119  27.232  -2.585
 2144   1HD2  LEU 208          1HD2      LEU 208  14.278  25.515  -5.316
 2145   2HD2  LEU 208          2HD2      LEU 208  15.238  24.041  -5.194
 2146   3HD2  LEU 208          3HD2      LEU 208  16.037  25.598  -5.410
 2147    H    ALA 209           H        ALA 209  16.348  22.359  -3.965
 2148    HA   ALA 209           HA       ALA 209  18.743  22.199  -5.676
 2149   1HB   ALA 209          1HB       ALA 209  19.074  20.838  -3.506
 2150   2HB   ALA 209          2HB       ALA 209  19.333  19.972  -5.021
 2151   3HB   ALA 209          3HB       ALA 209  17.826  19.759  -4.129
 2152    H    THR 210           H        THR 210  17.947  21.881  -7.714
 2153    HA   THR 210           HA       THR 210  15.197  21.240  -8.248
 2154    HB   THR 210           HB       THR 210  16.316  20.902 -10.613
 2155    HG1  THR 210           HG1      THR 210  18.396  20.688 -10.267
 2156   1HG2  THR 210          1HG2      THR 210  16.241  23.239 -10.943
 2157   2HG2  THR 210          2HG2      THR 210  16.801  23.576  -9.306
 2158   3HG2  THR 210          3HG2      THR 210  15.163  22.981  -9.571
 2159    H    LYS 211           H        LYS 211  18.132  19.289  -8.033
 2160    HA   LYS 211           HA       LYS 211  16.704  16.876  -9.014
 2161   1HB   LYS 211          1HB       LYS 211  19.064  17.578  -9.675
 2162   2HB   LYS 211          2HB       LYS 211  19.553  17.222  -8.019
 2163   1HG   LYS 211          1HG       LYS 211  19.708  15.033  -8.516
 2164   2HG   LYS 211          2HG       LYS 211  18.018  15.012  -9.016
 2165   1HD   LYS 211          1HD       LYS 211  18.870  14.537 -11.075
 2166   2HD   LYS 211          2HD       LYS 211  19.189  16.270 -11.148
 2167   1HE   LYS 211          1HE       LYS 211  21.314  14.968  -9.683
 2168   2HE   LYS 211          2HE       LYS 211  21.103  14.186 -11.261
 2169   1HZ   LYS 211          1HZ       LYS 211  21.072  17.133 -10.949
 2170   2HZ   LYS 211          2HZ       LYS 211  21.293  16.228 -12.369
 2171   3HZ   LYS 211          3HZ       LYS 211  22.523  16.285 -11.199
 2172    H    ALA 212           H        ALA 212  15.685  17.909  -6.565
 2173    HA   ALA 212           HA       ALA 212  16.903  16.392  -4.351
 2174   1HB   ALA 212          1HB       ALA 212  15.895  18.091  -3.242
 2175   2HB   ALA 212          2HB       ALA 212  14.318  17.496  -3.760
 2176   3HB   ALA 212          3HB       ALA 212  15.195  18.654  -4.760
 2177    H    ALA 213           H        ALA 213  16.568  14.173  -4.828
 2178    HA   ALA 213           HA       ALA 213  13.761  13.283  -5.327
 2179   1HB   ALA 213          1HB       ALA 213  15.382  12.476  -6.914
 2180   2HB   ALA 213          2HB       ALA 213  15.027  11.114  -5.852
 2181   3HB   ALA 213          3HB       ALA 213  16.512  12.039  -5.632
 2182    H    ARG 214           H        ARG 214  13.764  10.769  -4.294
 2183    HA   ARG 214           HA       ARG 214  14.403  11.146  -1.387
 2184   1HB   ARG 214          1HB       ARG 214  11.971   9.966  -2.774
 2185   2HB   ARG 214          2HB       ARG 214  12.246   9.865  -1.035
 2186   1HG   ARG 214          1HG       ARG 214  12.512  12.433  -1.121
 2187   2HG   ARG 214          2HG       ARG 214  11.779  12.327  -2.721
 2188   1HD   ARG 214          1HD       ARG 214   9.886  12.630  -1.368
 2189   2HD   ARG 214          2HD       ARG 214   9.972  10.860  -1.432
 2190    HE   ARG 214           HE       ARG 214  10.594  10.886   0.849
 2191   1HH1  ARG 214          1HH1      ARG 214  11.182  13.988  -0.617
 2192   2HH1  ARG 214          2HH1      ARG 214  11.659  14.725   0.872
 2193   1HH2  ARG 214          1HH2      ARG 214  11.217  11.864   2.770
 2194   2HH2  ARG 214          2HH2      ARG 214  11.680  13.533   2.777
 2195   1HN   MLZ 215          1HN       MLZ 215  12.950   8.305  -2.940
 2196    HA   MLZ 215           HA       MLZ 215  15.267   6.692  -1.996
 2197   1HB   MLZ 215          1HB       MLZ 215  12.375   6.343  -2.538
 2198   2HB   MLZ 215          2HB       MLZ 215  13.378   4.959  -2.971
 2199   1HG   MLZ 215          1HG       MLZ 215  13.475   6.348  -0.278
 2200   2HG   MLZ 215          2HG       MLZ 215  14.294   4.853  -0.727
 2201   1HD   MLZ 215          1HD       MLZ 215  11.320   5.010  -1.051
 2202   2HD   MLZ 215          2HD       MLZ 215  12.334   3.610  -0.700
 2203   1HE   MLZ 215          1HE       MLZ 215  11.016   5.434   1.161
 2204   2HE   MLZ 215          2HE       MLZ 215  12.754   5.297   1.488
 2205    HZ   MLZ 215           HZ       MLZ 215  12.386   2.814   1.090
 2206   1HCM  MLZ 215          1HCM      MLZ 215  11.212   2.730   3.453
 2207   2HCM  MLZ 215          2HCM      MLZ 215  11.668   4.433   3.403
 2208   3HCM  MLZ 215          3HCM      MLZ 215  12.902   3.184   3.242
 2209    H    SER 216           H        SER 216  16.758   5.943  -3.451
 2210    HA   SER 216           HA       SER 216  17.782   5.415  -5.509
 2211   1HB   SER 216          1HB       SER 216  15.780   7.301  -6.752
 2212   2HB   SER 216          2HB       SER 216  17.005   7.917  -5.643
 2213    HG   SER 216           HG       SER 216  17.319   7.489  -8.163
 2214    H    ALA 217           H        ALA 217  17.289   4.494  -7.737
 2215    HA   ALA 217           HA       ALA 217  14.665   3.035  -7.706
 2216   1HB   ALA 217          1HB       ALA 217  14.342   3.747  -9.853
 2217   2HB   ALA 217          2HB       ALA 217  16.019   3.425 -10.295
 2218   3HB   ALA 217          3HB       ALA 217  15.592   4.939  -9.497
 2219    HA   PRO 218           HA       PRO 218  16.815  -0.757  -8.212
 2220   1HB   PRO 218          1HB       PRO 218  15.799  -1.863 -10.547
 2221   2HB   PRO 218          2HB       PRO 218  14.962  -1.890  -8.985
 2222   1HG   PRO 218          1HG       PRO 218  14.553  -0.112 -11.330
 2223   2HG   PRO 218          2HG       PRO 218  13.369  -0.776 -10.197
 2224   1HD   PRO 218          1HD       PRO 218  14.248   1.797 -10.109
 2225   2HD   PRO 218          2HD       PRO 218  13.698   0.907  -8.674
 2226    H    ALA 219           H        ALA 219  16.635   1.092 -11.252
 2227    HA   ALA 219           HA       ALA 219  19.528   0.905 -11.611
 2228   1HB   ALA 219          1HB       ALA 219  18.236  -1.307 -12.366
 2229   2HB   ALA 219          2HB       ALA 219  19.580  -0.681 -13.320
 2230   3HB   ALA 219          3HB       ALA 219  17.920  -0.350 -13.813
 2231    H    THR 220           H        THR 220  18.286   3.235 -11.433
 2232    HA   THR 220           HA       THR 220  18.310   4.284 -14.214
 2233    HB   THR 220           HB       THR 220  16.043   4.621 -12.213
 2234    HG1  THR 220           HG1      THR 220  14.884   3.499 -13.840
 2235   1HG2  THR 220          1HG2      THR 220  15.626   6.534 -13.335
 2236   2HG2  THR 220          2HG2      THR 220  15.263   5.536 -14.743
 2237   3HG2  THR 220          3HG2      THR 220  16.887   6.185 -14.517
 2238    H    GLY 221           H        GLY 221  20.326   5.268 -13.397
 2239   1HA   GLY 221          1HA       GLY 221  20.204   7.114 -11.140
 2240   2HA   GLY 221          2HA       GLY 221  21.576   6.897 -12.226
 2241   1HN   SAH 301          1HN       SAH 301 -10.513  -1.052  -7.994
 2242   2HN   SAH 301          2HN       SAH 301  -9.142  -0.594  -8.889
 2243    HA   SAH 301           HA       SAH 301  -9.898   1.820  -8.238
 2244   1HB   SAH 301          1HB       SAH 301 -11.402  -0.123  -6.552
 2245   2HB   SAH 301          2HB       SAH 301 -10.716   1.263  -5.706
 2246   1HG   SAH 301          1HG       SAH 301 -13.126   1.295  -7.003
 2247   2HG   SAH 301          2HG       SAH 301 -12.053   1.918  -8.257
 2248   1H5*  SAH 301          1H5*      SAH 301 -14.423   2.674  -6.390
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.161   3.974  -5.228
 2250    H4*  SAH 301           H4*      SAH 301 -13.535   5.220  -7.508
 2251    H3*  SAH 301           H3*      SAH 301 -15.718   5.108  -5.611
 2252   *HO3  SAH 301          *HO3      SAH 301 -15.870   7.357  -6.667
 2253    H2*  SAH 301           H2*      SAH 301 -17.506   4.867  -6.934
 2254   *HO2  SAH 301          *HO2      SAH 301 -17.997   6.442  -8.335
 2255    H1*  SAH 301           H1*      SAH 301 -16.353   4.742  -9.564
 2256    H8   SAH 301           H8       SAH 301 -16.110   1.744  -7.242
 2257   1HN6  SAH 301          1HN6      SAH 301 -21.824   0.247  -8.809
 2258   2HN6  SAH 301          2HN6      SAH 301 -20.716   0.128  -7.461
 2259    H2   SAH 301           H2       SAH 301 -20.864   4.231 -10.724
 2260   1HN   SAH 302          1HN       SAH 302  10.804  -1.023   8.083
 2261   2HN   SAH 302          2HN       SAH 302   9.462  -0.589   9.026
 2262    HA   SAH 302           HA       SAH 302  10.170   1.837   8.365
 2263   1HB   SAH 302          1HB       SAH 302  11.639  -0.081   6.619
 2264   2HB   SAH 302          2HB       SAH 302  10.909   1.300   5.802
 2265   1HG   SAH 302          1HG       SAH 302  13.360   1.357   7.021
 2266   2HG   SAH 302          2HG       SAH 302  12.321   1.961   8.311
 2267   1H5*  SAH 302          1H5*      SAH 302  14.619   2.755   6.373
 2268   2H5*  SAH 302          2H5*      SAH 302  14.304   4.056   5.227
 2269    H4*  SAH 302           H4*      SAH 302  13.737   5.285   7.531
 2270    H3*  SAH 302           H3*      SAH 302  15.859   5.208   5.565
 2271   *HO3  SAH 302          *HO3      SAH 302  16.018   7.454   6.624
 2272    H2*  SAH 302           H2*      SAH 302  17.691   4.984   6.829
 2273   *HO2  SAH 302          *HO2      SAH 302  18.207   6.559   8.220
 2274    H1*  SAH 302           H1*      SAH 302  16.625   4.833   9.494
 2275    H8   SAH 302           H8       SAH 302  16.343   1.841   7.166
 2276   1HN6  SAH 302          1HN6      SAH 302  22.124   0.410   8.542
 2277   2HN6  SAH 302          2HN6      SAH 302  20.975   0.283   7.229
 2278    H2   SAH 302           H2       SAH 302  21.176   4.374  10.506
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  -2.711  -9.925  -4.945
    2   2H    MET   1          2H        MET   1  -1.246  -9.199  -5.404
    3   3H    MET   1          3H        MET   1  -1.237 -10.686  -4.583
    4    HA   MET   1           HA       MET   1  -2.404 -10.278  -7.289
    5   1HB   MET   1          1HB       MET   1   0.317 -10.764  -6.219
    6   2HB   MET   1          2HB       MET   1  -0.152 -11.800  -7.558
    7   1HG   MET   1          1HG       MET   1   0.638 -10.031  -8.773
    8   2HG   MET   1          2HG       MET   1  -1.012  -9.470  -8.524
    9   1HE   MET   1          1HE       MET   1   0.757  -6.405  -8.601
   10   2HE   MET   1          2HE       MET   1  -0.840  -6.460  -7.853
   11   3HE   MET   1          3HE       MET   1  -0.452  -7.551  -9.185
   12    H    PHE   2           H        PHE   2  -1.692 -12.815  -8.177
   13    HA   PHE   2           HA       PHE   2  -3.759 -14.483  -7.271
   14   1HB   PHE   2          1HB       PHE   2  -2.499 -16.231  -8.478
   15   2HB   PHE   2          2HB       PHE   2  -2.416 -14.708  -9.360
   16    HD1  PHE   2           HD1      PHE   2  -0.550 -17.112  -7.288
   17    HD2  PHE   2           HD2      PHE   2  -0.345 -13.409  -9.455
   18    HE1  PHE   2           HE1      PHE   2   1.925 -17.173  -7.155
   19    HE2  PHE   2           HE2      PHE   2   2.131 -13.470  -9.322
   20    HZ   PHE   2           HZ       PHE   2   3.266 -15.351  -8.172
   21    H    ASN   3           H        ASN   3  -4.005 -15.795  -5.500
   22    HA   ASN   3           HA       ASN   3  -1.625 -16.724  -3.993
   23   1HB   ASN   3          1HB       ASN   3  -2.224 -14.495  -3.091
   24   2HB   ASN   3          2HB       ASN   3  -3.876 -15.050  -2.826
   25   1HD2  ASN   3          1HD2      ASN   3  -4.172 -15.511  -0.642
   26   2HD2  ASN   3          2HD2      ASN   3  -3.028 -16.263   0.361
   27    H    ASP   4           H        ASP   4  -2.246 -18.410  -2.392
   28    HA   ASP   4           HA       ASP   4  -4.231 -20.234  -3.414
   29   1HB   ASP   4          1HB       ASP   4  -2.770 -20.095  -0.749
   30   2HB   ASP   4          2HB       ASP   4  -3.562 -21.528  -1.404
   31    H    ARG   5           H        ARG   5  -5.869 -18.215  -3.204
   32    HA   ARG   5           HA       ARG   5  -7.937 -18.921  -1.394
   33   1HB   ARG   5          1HB       ARG   5  -5.750 -17.413  -0.255
   34   2HB   ARG   5          2HB       ARG   5  -7.207 -16.419  -0.231
   35   1HG   ARG   5          1HG       ARG   5  -8.287 -18.717   0.622
   36   2HG   ARG   5          2HG       ARG   5  -6.637 -18.989   1.177
   37   1HD   ARG   5          1HD       ARG   5  -8.274 -16.503   1.796
   38   2HD   ARG   5          2HD       ARG   5  -8.015 -17.851   2.919
   39    HE   ARG   5           HE       ARG   5  -5.486 -17.002   1.878
   40   1HH1  ARG   5          1HH1      ARG   5  -8.031 -15.954   4.009
   41   2HH1  ARG   5          2HH1      ARG   5  -6.970 -14.999   4.985
   42   1HH2  ARG   5          1HH2      ARG   5  -4.129 -15.756   3.160
   43   2HH2  ARG   5          2HH2      ARG   5  -4.777 -14.886   4.510
   44    H    VAL   6           H        VAL   6  -6.283 -16.320  -3.117
   45    HA   VAL   6           HA       VAL   6  -8.796 -15.566  -4.477
   46    HB   VAL   6           HB       VAL   6  -8.462 -13.158  -3.741
   47   1HG1  VAL   6          1HG1      VAL   6  -8.878 -14.886  -1.317
   48   2HG1  VAL   6          2HG1      VAL   6 -10.019 -14.960  -2.660
   49   3HG1  VAL   6          3HG1      VAL   6  -9.753 -13.437  -1.813
   50   1HG2  VAL   6          1HG2      VAL   6  -7.106 -12.785  -1.711
   51   2HG2  VAL   6          2HG2      VAL   6  -6.108 -13.370  -3.042
   52   3HG2  VAL   6          3HG2      VAL   6  -6.588 -14.470  -1.749
   53    H    ILE   7           H        ILE   7  -8.068 -13.340  -5.777
   54    HA   ILE   7           HA       ILE   7  -5.261 -13.416  -6.645
   55    HB   ILE   7           HB       ILE   7  -6.222 -15.337  -7.829
   56   1HG1  ILE   7          1HG1      ILE   7  -6.000 -12.956  -9.697
   57   2HG1  ILE   7          2HG1      ILE   7  -4.629 -13.861  -9.055
   58   1HG2  ILE   7          1HG2      ILE   7  -8.333 -15.358  -8.642
   59   2HG2  ILE   7          2HG2      ILE   7  -8.112 -13.813  -9.464
   60   3HG2  ILE   7          3HG2      ILE   7  -8.562 -13.848  -7.759
   61   1HD1  ILE   7          1HD1      ILE   7  -6.255 -14.478 -11.335
   62   2HD1  ILE   7          2HD1      ILE   7  -6.474 -15.750 -10.132
   63   3HD1  ILE   7          3HD1      ILE   7  -4.856 -15.360 -10.719
   64    H    VAL   8           H        VAL   8  -4.881 -11.701  -8.336
   65    HA   VAL   8           HA       VAL   8  -6.637  -9.389  -7.806
   66    HB   VAL   8           HB       VAL   8  -4.180  -9.212  -7.690
   67   1HG1  VAL   8          1HG1      VAL   8  -2.849 -10.204  -9.211
   68   2HG1  VAL   8          2HG1      VAL   8  -3.621  -9.319 -10.527
   69   3HG1  VAL   8          3HG1      VAL   8  -4.296 -10.853  -9.980
   70   1HG2  VAL   8          1HG2      VAL   8  -5.657  -7.711  -9.846
   71   2HG2  VAL   8          2HG2      VAL   8  -3.945  -7.393  -9.560
   72   3HG2  VAL   8          3HG2      VAL   8  -5.116  -7.140  -8.267
   73    H    LYS   9           H        LYS   9  -8.297  -8.936  -9.140
   74    HA   LYS   9           HA       LYS   9  -7.969  -9.290 -12.054
   75   1HB   LYS   9          1HB       LYS   9 -10.073 -10.590 -10.318
   76   2HB   LYS   9          2HB       LYS   9 -10.224 -10.465 -12.071
   77   1HG   LYS   9          1HG       LYS   9  -7.920 -11.564 -12.204
   78   2HG   LYS   9          2HG       LYS   9  -8.111 -11.936 -10.493
   79   1HD   LYS   9          1HD       LYS   9  -9.631 -13.578 -10.905
   80   2HD   LYS   9          2HD       LYS   9 -10.455 -12.627 -12.141
   81   1HE   LYS   9          1HE       LYS   9  -8.541 -13.134 -13.707
   82   2HE   LYS   9          2HE       LYS   9  -7.902 -14.235 -12.475
   83   1HZ   LYS   9          1HZ       LYS   9 -10.484 -14.376 -13.918
   84   2HZ   LYS   9          2HZ       LYS   9 -10.262 -15.177 -12.436
   85   3HZ   LYS   9          3HZ       LYS   9  -9.293 -15.577 -13.772
   86    H    LYS  10           H        LYS  10 -10.011  -6.331 -12.198
   87    HA   LYS  10           HA       LYS  10  -8.813  -6.580 -14.178
   88   1HB   LYS  10          1HB       LYS  10  -7.116  -7.079 -11.975
   89   2HB   LYS  10          2HB       LYS  10  -6.721  -8.310 -13.175
   90   1HG   LYS  10          1HG       LYS  10  -6.893  -5.334 -13.739
   91   2HG   LYS  10          2HG       LYS  10  -5.392  -6.227 -13.492
   92   1HD   LYS  10          1HD       LYS  10  -5.453  -7.127 -15.577
   93   2HD   LYS  10          2HD       LYS  10  -7.185  -7.443 -15.485
   94   1HE   LYS  10          1HE       LYS  10  -7.702  -5.490 -16.551
   95   2HE   LYS  10          2HE       LYS  10  -6.489  -4.573 -15.638
   96   1HZ   LYS  10          1HZ       LYS  10  -5.692  -4.706 -17.852
   97   2HZ   LYS  10          2HZ       LYS  10  -6.053  -6.361 -17.970
   98   3HZ   LYS  10          3HZ       LYS  10  -4.785  -5.838 -16.969
   99    H    SER  11           H        SER  11 -10.942  -8.365 -13.784
  100    HA   SER  11           HA       SER  11 -10.009 -11.049 -14.627
  101   1HB   SER  11          1HB       SER  11 -12.112 -11.706 -13.873
  102   2HB   SER  11          2HB       SER  11 -11.937 -10.217 -12.948
  103    HG   SER  11           HG       SER  11 -13.863 -10.015 -13.926
  104    HA   PRO  12           HA       PRO  12 -11.150 -10.983 -18.889
  105   1HB   PRO  12          1HB       PRO  12 -13.948 -11.940 -18.468
  106   2HB   PRO  12          2HB       PRO  12 -12.676 -12.608 -19.506
  107   1HG   PRO  12          1HG       PRO  12 -13.393 -13.761 -17.191
  108   2HG   PRO  12          2HG       PRO  12 -11.734 -13.807 -17.797
  109   1HD   PRO  12          1HD       PRO  12 -12.884 -12.238 -15.567
  110   2HD   PRO  12          2HD       PRO  12 -11.229 -12.839 -15.795
  111    H    LEU  13           H        LEU  13 -11.313  -8.833 -19.485
  112    HA   LEU  13           HA       LEU  13 -12.301  -6.738 -19.951
  113   1HB   LEU  13          1HB       LEU  13 -14.406  -8.859 -20.235
  114   2HB   LEU  13          2HB       LEU  13 -14.900  -7.172 -20.378
  115    HG   LEU  13           HG       LEU  13 -14.304  -8.132 -22.583
  116   1HD1  LEU  13          1HD1      LEU  13 -13.297  -6.195 -23.278
  117   2HD1  LEU  13          2HD1      LEU  13 -12.028  -6.297 -22.058
  118   3HD1  LEU  13          3HD1      LEU  13 -13.627  -5.696 -21.619
  119   1HD2  LEU  13          1HD2      LEU  13 -12.616  -9.751 -21.666
  120   2HD2  LEU  13          2HD2      LEU  13 -11.516  -8.394 -21.420
  121   3HD2  LEU  13          3HD2      LEU  13 -12.026  -8.832 -23.051
  122    H    GLY  14           H        GLY  14 -11.828  -6.877 -17.272
  123   1HA   GLY  14          1HA       GLY  14 -14.274  -5.611 -16.134
  124   2HA   GLY  14          2HA       GLY  14 -13.453  -6.866 -15.210
  125    H    GLY  15           H        GLY  15 -13.714  -4.323 -14.134
  126   1HA   GLY  15          1HA       GLY  15 -11.331  -2.726 -14.646
  127   2HA   GLY  15          2HA       GLY  15 -12.485  -2.478 -13.336
  128    H    TYR  16           H        TYR  16 -10.428  -2.152 -12.038
  129    HA   TYR  16           HA       TYR  16  -8.938  -4.654 -11.458
  130   1HB   TYR  16          1HB       TYR  16  -8.595  -1.721 -11.150
  131   2HB   TYR  16          2HB       TYR  16  -7.896  -2.698  -9.859
  132    HD1  TYR  16           HD1      TYR  16  -6.105  -4.303 -10.310
  133    HD2  TYR  16           HD2      TYR  16  -7.772  -1.883 -13.443
  134    HE1  TYR  16           HE1      TYR  16  -4.193  -4.886 -11.776
  135    HE2  TYR  16           HE2      TYR  16  -5.859  -2.467 -14.910
  136    HH   TYR  16           HH       TYR  16  -3.192  -3.331 -14.194
  137    H    GLY  17           H        GLY  17 -10.290  -5.907 -10.157
  138   1HA   GLY  17          1HA       GLY  17 -10.971  -4.745  -7.494
  139   2HA   GLY  17          2HA       GLY  17 -12.168  -5.706  -8.367
  140    H    VAL  18           H        VAL  18 -12.031  -7.212  -6.443
  141    HA   VAL  18           HA       VAL  18  -9.532  -8.877  -6.548
  142    HB   VAL  18           HB       VAL  18 -11.623  -8.383  -4.401
  143   1HG1  VAL  18          1HG1      VAL  18  -9.086 -10.021  -4.149
  144   2HG1  VAL  18          2HG1      VAL  18 -10.660 -10.751  -4.469
  145   3HG1  VAL  18          3HG1      VAL  18 -10.387  -9.864  -2.969
  146   1HG2  VAL  18          1HG2      VAL  18  -9.565  -7.480  -3.208
  147   2HG2  VAL  18          2HG2      VAL  18 -10.126  -6.526  -4.582
  148   3HG2  VAL  18          3HG2      VAL  18  -8.728  -7.587  -4.757
  149    H    PHE  19           H        PHE  19  -9.745 -11.062  -7.021
  150    HA   PHE  19           HA       PHE  19 -12.496 -12.022  -7.704
  151   1HB   PHE  19          1HB       PHE  19  -9.935 -12.095  -8.957
  152   2HB   PHE  19          2HB       PHE  19 -10.346 -13.756  -8.531
  153    HD1  PHE  19           HD1      PHE  19 -11.586 -14.974 -10.073
  154    HD2  PHE  19           HD2      PHE  19 -12.026 -10.702  -9.939
  155    HE1  PHE  19           HE1      PHE  19 -13.159 -15.076 -11.988
  156    HE2  PHE  19           HE2      PHE  19 -13.599 -10.805 -11.854
  157    HZ   PHE  19           HZ       PHE  19 -14.163 -12.992 -12.882
  158    H    ALA  20           H        ALA  20 -13.302 -13.865  -6.677
  159    HA   ALA  20           HA       ALA  20 -11.709 -14.865  -4.360
  160   1HB   ALA  20          1HB       ALA  20 -13.992 -15.620  -3.612
  161   2HB   ALA  20          2HB       ALA  20 -14.657 -14.938  -5.097
  162   3HB   ALA  20          3HB       ALA  20 -13.901 -13.883  -3.903
  163    H    ARG  21           H        ARG  21 -10.427 -16.453  -5.507
  164    HA   ARG  21           HA       ARG  21 -11.458 -18.435  -7.291
  165   1HB   ARG  21          1HB       ARG  21  -9.033 -17.704  -6.041
  166   2HB   ARG  21          2HB       ARG  21  -9.320 -19.375  -5.557
  167   1HG   ARG  21          1HG       ARG  21  -9.187 -20.169  -7.725
  168   2HG   ARG  21          2HG       ARG  21  -9.754 -18.653  -8.426
  169   1HD   ARG  21          1HD       ARG  21  -7.626 -17.901  -8.687
  170   2HD   ARG  21          2HD       ARG  21  -7.215 -18.311  -7.011
  171    HE   ARG  21           HE       ARG  21  -7.426 -20.771  -8.304
  172   1HH1  ARG  21          1HH1      ARG  21  -5.584 -17.854  -8.770
  173   2HH1  ARG  21          2HH1      ARG  21  -4.246 -18.683  -9.485
  174   1HH2  ARG  21          1HH2      ARG  21  -5.676 -21.825  -9.237
  175   2HH2  ARG  21          2HH2      ARG  21  -4.295 -20.913  -9.749
  176    H    LYS  22           H        LYS  22 -11.551 -18.101  -3.818
  177    HA   LYS  22           HA       LYS  22 -12.516 -20.877  -3.417
  178   1HB   LYS  22          1HB       LYS  22 -11.295 -18.685  -1.892
  179   2HB   LYS  22          2HB       LYS  22 -12.578 -19.507  -1.023
  180   1HG   LYS  22          1HG       LYS  22 -11.518 -21.620  -1.209
  181   2HG   LYS  22          2HG       LYS  22 -10.381 -21.015  -2.413
  182   1HD   LYS  22          1HD       LYS  22  -9.072 -20.936  -0.513
  183   2HD   LYS  22          2HD       LYS  22  -9.747 -19.316  -0.495
  184   1HE   LYS  22          1HE       LYS  22 -10.082 -20.117   1.723
  185   2HE   LYS  22          2HE       LYS  22 -11.651 -20.375   0.941
  186   1HZ   LYS  22          1HZ       LYS  22 -10.946 -22.407   2.015
  187   2HZ   LYS  22          2HZ       LYS  22  -9.451 -22.362   1.210
  188   3HZ   LYS  22          3HZ       LYS  22 -10.880 -22.621   0.331
  189    H    SER  23           H        SER  23 -15.819 -19.774  -2.133
  190    HA   SER  23           HA       SER  23 -13.410 -21.466  -1.568
  191   1HB   SER  23          1HB       SER  23 -16.005 -22.304  -0.502
  192   2HB   SER  23          2HB       SER  23 -16.047 -22.060  -2.248
  193    HG   SER  23           HG       SER  23 -14.895 -24.036  -0.820
  194    H    PHE  24           H        PHE  24 -15.559 -19.085  -0.252
  195    HA   PHE  24           HA       PHE  24 -14.301 -19.477   2.443
  196   1HB   PHE  24          1HB       PHE  24 -15.228 -17.056   0.875
  197   2HB   PHE  24          2HB       PHE  24 -14.777 -16.962   2.563
  198    HD1  PHE  24           HD1      PHE  24 -13.578 -16.468  -0.644
  199    HD2  PHE  24           HD2      PHE  24 -12.449 -18.324   3.062
  200    HE1  PHE  24           HE1      PHE  24 -11.191 -16.311  -1.293
  201    HE2  PHE  24           HE2      PHE  24 -10.061 -18.167   2.412
  202    HZ   PHE  24           HZ       PHE  24  -9.433 -17.160   0.234
  203    H    GLU  25           H        GLU  25 -15.650 -18.843   4.280
  204    HA   GLU  25           HA       GLU  25 -18.529 -19.473   3.799
  205   1HB   GLU  25          1HB       GLU  25 -16.690 -20.583   5.451
  206   2HB   GLU  25          2HB       GLU  25 -17.325 -19.334   6.519
  207   1HG   GLU  25          1HG       GLU  25 -19.656 -20.220   5.657
  208   2HG   GLU  25          2HG       GLU  25 -18.736 -21.673   5.281
  209    H    LYS  26           H        LYS  26 -20.009 -18.278   5.454
  210    HA   LYS  26           HA       LYS  26 -19.710 -15.434   5.076
  211   1HB   LYS  26          1HB       LYS  26 -21.855 -16.566   5.121
  212   2HB   LYS  26          2HB       LYS  26 -21.541 -17.099   6.753
  213   1HG   LYS  26          1HG       LYS  26 -21.591 -14.845   7.602
  214   2HG   LYS  26          2HG       LYS  26 -21.652 -14.188   5.967
  215   1HD   LYS  26          1HD       LYS  26 -23.856 -15.171   5.611
  216   2HD   LYS  26          2HD       LYS  26 -23.786 -15.970   7.182
  217   1HE   LYS  26          1HE       LYS  26 -23.325 -13.049   7.283
  218   2HE   LYS  26          2HE       LYS  26 -24.957 -13.528   6.781
  219   1HZ   LYS  26          1HZ       LYS  26 -23.543 -14.753   9.088
  220   2HZ   LYS  26          2HZ       LYS  26 -25.186 -14.896   8.683
  221   3HZ   LYS  26          3HZ       LYS  26 -24.578 -13.417   9.257
  222    H    GLY  27           H        GLY  27 -17.549 -15.180   6.166
  223   1HA   GLY  27          1HA       GLY  27 -17.256 -13.778   8.347
  224   2HA   GLY  27          2HA       GLY  27 -17.738 -15.276   9.141
  225    H    GLU  28           H        GLU  28 -15.633 -14.894   6.290
  226    HA   GLU  28           HA       GLU  28 -13.432 -16.133   7.907
  227   1HB   GLU  28          1HB       GLU  28 -14.418 -16.516   5.082
  228   2HB   GLU  28          2HB       GLU  28 -12.759 -16.934   5.510
  229   1HG   GLU  28          1HG       GLU  28 -13.901 -18.182   7.528
  230   2HG   GLU  28          2HG       GLU  28 -15.321 -18.144   6.489
  231    H    LEU  29           H        LEU  29 -11.248 -15.452   7.272
  232    HA   LEU  29           HA       LEU  29 -11.165 -12.614   6.430
  233   1HB   LEU  29          1HB       LEU  29 -10.021 -13.745   8.471
  234   2HB   LEU  29          2HB       LEU  29  -8.882 -14.406   7.301
  235    HG   LEU  29           HG       LEU  29  -8.087 -12.282   8.329
  236   1HD1  LEU  29          1HD1      LEU  29  -8.683 -11.667   5.455
  237   2HD1  LEU  29          2HD1      LEU  29  -7.698 -13.076   5.848
  238   3HD1  LEU  29          3HD1      LEU  29  -7.175 -11.467   6.347
  239   1HD2  LEU  29          1HD2      LEU  29  -9.968 -10.654   6.731
  240   2HD2  LEU  29          2HD2      LEU  29  -9.309 -10.356   8.339
  241   3HD2  LEU  29          3HD2      LEU  29 -10.676 -11.453   8.134
  242    H    VAL  30           H        VAL  30 -10.564 -12.058   4.375
  243    HA   VAL  30           HA       VAL  30  -9.615 -14.188   2.540
  244    HB   VAL  30           HB       VAL  30 -10.503 -11.305   2.144
  245   1HG1  VAL  30          1HG1      VAL  30 -10.190 -13.498   0.077
  246   2HG1  VAL  30          2HG1      VAL  30  -8.965 -12.264   0.373
  247   3HG1  VAL  30          3HG1      VAL  30 -10.561 -11.799  -0.214
  248   1HG2  VAL  30          1HG2      VAL  30 -11.961 -13.681   2.711
  249   2HG2  VAL  30          2HG2      VAL  30 -12.242 -13.293   1.013
  250   3HG2  VAL  30          3HG2      VAL  30 -12.605 -12.102   2.261
  251    H    GLU  31           H        GLU  31  -8.643 -10.909   3.608
  252    HA   GLU  31           HA       GLU  31  -5.820 -11.585   3.465
  253   1HB   GLU  31          1HB       GLU  31  -6.652 -11.357   1.048
  254   2HB   GLU  31          2HB       GLU  31  -6.891  -9.644   1.394
  255   1HG   GLU  31          1HG       GLU  31  -4.717  -9.708   0.487
  256   2HG   GLU  31          2HG       GLU  31  -4.425  -9.702   2.227
  257    H    GLU  32           H        GLU  32  -4.510  -9.871   4.308
  258    HA   GLU  32           HA       GLU  32  -5.879  -7.341   5.080
  259   1HB   GLU  32          1HB       GLU  32  -5.095  -7.706   7.426
  260   2HB   GLU  32          2HB       GLU  32  -6.219  -8.963   6.908
  261   1HG   GLU  32          1HG       GLU  32  -4.124 -10.291   6.202
  262   2HG   GLU  32          2HG       GLU  32  -3.214  -9.130   7.169
  263    H    CYS  33           H        CYS  33  -4.375  -5.611   5.413
  264    HA   CYS  33           HA       CYS  33  -1.479  -6.230   5.107
  265   1HB   CYS  33          1HB       CYS  33  -3.261  -5.373   3.047
  266   2HB   CYS  33          2HB       CYS  33  -2.186  -4.025   3.415
  267    HG   CYS  33           HG       CYS  33  -0.293  -6.155   3.203
  268    H    LEU  34           H        LEU  34  -0.736  -3.518   4.628
  269    HA   LEU  34           HA       LEU  34  -1.269  -2.375   7.325
  270   1HB   LEU  34          1HB       LEU  34   0.915  -2.516   5.383
  271   2HB   LEU  34          2HB       LEU  34   0.685  -0.886   6.016
  272    HG   LEU  34           HG       LEU  34   2.241  -2.192   7.426
  273   1HD1  LEU  34          1HD1      LEU  34   1.340  -1.487   9.466
  274   2HD1  LEU  34          2HD1      LEU  34  -0.304  -1.920   8.997
  275   3HD1  LEU  34          3HD1      LEU  34   0.463  -0.490   8.305
  276   1HD2  LEU  34          1HD2      LEU  34   0.012  -3.920   8.386
  277   2HD2  LEU  34          2HD2      LEU  34   1.741  -4.257   8.314
  278   3HD2  LEU  34          3HD2      LEU  34   0.763  -4.349   6.850
  279    H    CYS  35           H        CYS  35  -1.206   0.163   7.256
  280    HA   CYS  35           HA       CYS  35  -2.514   1.313   4.858
  281   1HB   CYS  35          1HB       CYS  35  -3.767   0.762   7.529
  282   2HB   CYS  35          2HB       CYS  35  -4.244   2.232   6.680
  283    HG   CYS  35           HG       CYS  35  -5.058   0.762   4.677
  284    H    ILE  36           H        ILE  36  -2.460   3.672   4.908
  285    HA   ILE  36           HA       ILE  36  -0.313   4.710   6.697
  286    HB   ILE  36           HB       ILE  36  -1.754   5.985   4.343
  287   1HG1  ILE  36          1HG1      ILE  36   0.938   4.597   4.322
  288   2HG1  ILE  36          2HG1      ILE  36  -0.555   3.785   3.851
  289   1HG2  ILE  36          1HG2      ILE  36  -0.644   7.712   5.474
  290   2HG2  ILE  36          2HG2      ILE  36   0.564   7.193   4.298
  291   3HG2  ILE  36          3HG2      ILE  36   0.681   6.661   5.975
  292   1HD1  ILE  36          1HD1      ILE  36  -0.807   5.067   1.936
  293   2HD1  ILE  36          2HD1      ILE  36   0.952   5.028   2.045
  294   3HD1  ILE  36          3HD1      ILE  36   0.064   6.441   2.616
  295    H    VAL  37           H        VAL  37  -0.691   6.908   7.685
  296    HA   VAL  37           HA       VAL  37  -3.563   7.539   8.181
  297    HB   VAL  37           HB       VAL  37  -1.448   7.010  10.302
  298   1HG1  VAL  37          1HG1      VAL  37  -2.861   8.493  11.370
  299   2HG1  VAL  37          2HG1      VAL  37  -3.750   6.997  11.655
  300   3HG1  VAL  37          3HG1      VAL  37  -4.238   8.079  10.349
  301   1HG2  VAL  37          1HG2      VAL  37  -3.741   5.381   9.212
  302   2HG2  VAL  37          2HG2      VAL  37  -3.125   5.113  10.842
  303   3HG2  VAL  37          3HG2      VAL  37  -2.064   4.892   9.451
  304    H    ARG  38           H        ARG  38  -3.517   9.639   7.399
  305    HA   ARG  38           HA       ARG  38  -1.335  11.447   8.389
  306   1HB   ARG  38          1HB       ARG  38  -2.777  11.039   5.855
  307   2HB   ARG  38          2HB       ARG  38  -2.600  12.731   6.315
  308   1HG   ARG  38          1HG       ARG  38  -0.360  10.694   6.115
  309   2HG   ARG  38          2HG       ARG  38  -0.665  12.009   4.982
  310   1HD   ARG  38          1HD       ARG  38   0.455  13.454   6.314
  311   2HD   ARG  38          2HD       ARG  38  -0.526  13.025   7.705
  312    HE   ARG  38           HE       ARG  38   1.399  10.951   7.003
  313   1HH1  ARG  38          1HH1      ARG  38   0.932  13.955   8.701
  314   2HH1  ARG  38          2HH1      ARG  38   2.231  13.661   9.804
  315   1HH2  ARG  38          1HH2      ARG  38   3.080  10.592   8.446
  316   2HH2  ARG  38          2HH2      ARG  38   3.439  11.772   9.663
  317    H    HIS  39           H        HIS  39  -2.614  13.879   7.881
  318    HA   HIS  39           HA       HIS  39  -5.026  13.780   9.663
  319   1HB   HIS  39          1HB       HIS  39  -2.583  15.576   9.647
  320   2HB   HIS  39          2HB       HIS  39  -4.050  15.991  10.534
  321    HD1  HIS  39           HD1      HIS  39  -0.961  14.094  10.840
  322    HD2  HIS  39           HD2      HIS  39  -4.781  13.840  12.489
  323    HE1  HIS  39           HE1      HIS  39  -0.762  12.608  12.882
  324    H    ASN  40           H        ASN  40  -5.772  13.796   7.143
  325    HA   ASN  40           HA       ASN  40  -6.862  15.028   5.445
  326   1HB   ASN  40          1HB       ASN  40  -6.988  17.015   7.744
  327   2HB   ASN  40          2HB       ASN  40  -8.089  16.952   6.368
  328   1HD2  ASN  40          1HD2      ASN  40  -9.360  14.834   6.142
  329   2HD2  ASN  40          2HD2      ASN  40  -9.803  14.021   7.565
  330    H    ASP  41           H        ASP  41  -6.860  17.993   5.322
  331    HA   ASP  41           HA       ASP  41  -5.588  19.716   4.345
  332   1HB   ASP  41          1HB       ASP  41  -3.278  18.264   5.691
  333   2HB   ASP  41          2HB       ASP  41  -3.337  19.965   5.240
  334    H    ASP  42           H        ASP  42  -2.693  19.195   3.522
  335    HA   ASP  42           HA       ASP  42  -2.977  18.642   0.825
  336   1HB   ASP  42          1HB       ASP  42  -0.778  18.113   2.830
  337   2HB   ASP  42          2HB       ASP  42  -0.533  17.799   1.112
  338    H    TRP  43           H        TRP  43  -2.888  16.293   3.453
  339    HA   TRP  43           HA       TRP  43  -2.399  13.935   1.892
  340   1HB   TRP  43          1HB       TRP  43  -2.202  14.062   4.333
  341   2HB   TRP  43          2HB       TRP  43  -3.913  14.453   4.476
  342    HD1  TRP  43           HD1      TRP  43  -5.397  12.493   5.016
  343    HE1  TRP  43           HE1      TRP  43  -5.272   9.935   4.719
  344    HE3  TRP  43           HE3      TRP  43  -0.973  12.115   2.497
  345    HZ2  TRP  43           HZ2      TRP  43  -3.525   7.989   3.569
  346    HZ3  TRP  43           HZ3      TRP  43  -0.109   9.899   1.812
  347    HH2  TRP  43           HH2      TRP  43  -1.374   7.836   2.343
  348    H    GLY  44           H        GLY  44  -5.434  15.528   2.919
  349   1HA   GLY  44          1HA       GLY  44  -7.192  13.607   1.723
  350   2HA   GLY  44          2HA       GLY  44  -7.631  15.264   2.138
  351    H    THR  45           H        THR  45  -5.728  16.606   0.497
  352    HA   THR  45           HA       THR  45  -7.117  16.635  -2.022
  353    HB   THR  45           HB       THR  45  -4.405  17.704  -1.152
  354    HG1  THR  45           HG1      THR  45  -5.516  19.214  -0.230
  355   1HG2  THR  45          1HG2      THR  45  -5.519  17.583  -3.726
  356   2HG2  THR  45          2HG2      THR  45  -4.179  18.606  -3.207
  357   3HG2  THR  45          3HG2      THR  45  -5.829  19.229  -3.173
  358    H    ALA  46           H        ALA  46  -3.655  15.863  -1.472
  359    HA   ALA  46           HA       ALA  46  -3.160  14.667  -3.975
  360   1HB   ALA  46          1HB       ALA  46  -1.517  15.331  -2.187
  361   2HB   ALA  46          2HB       ALA  46  -1.215  13.715  -2.828
  362   3HB   ALA  46          3HB       ALA  46  -2.007  13.910  -1.264
  363    H    LEU  47           H        LEU  47  -3.830  12.915  -0.908
  364    HA   LEU  47           HA       LEU  47  -4.477  10.478  -2.460
  365   1HB   LEU  47          1HB       LEU  47  -4.301  11.131   0.505
  366   2HB   LEU  47          2HB       LEU  47  -4.636   9.522  -0.124
  367    HG   LEU  47           HG       LEU  47  -2.301   9.540   0.312
  368   1HD1  LEU  47          1HD1      LEU  47  -2.014  10.319  -2.535
  369   2HD1  LEU  47          2HD1      LEU  47  -3.192   9.051  -2.201
  370   3HD1  LEU  47          3HD1      LEU  47  -1.511   8.841  -1.713
  371   1HD2  LEU  47          1HD2      LEU  47  -1.712  11.946  -1.337
  372   2HD2  LEU  47          2HD2      LEU  47  -0.910  11.350   0.116
  373   3HD2  LEU  47          3HD2      LEU  47  -2.438  12.216   0.247
  374    H    GLU  48           H        GLU  48  -6.359  12.418  -3.042
  375    HA   GLU  48           HA       GLU  48  -8.636  12.330  -1.233
  376   1HB   GLU  48          1HB       GLU  48  -9.717  13.510  -3.154
  377   2HB   GLU  48          2HB       GLU  48  -8.143  14.203  -2.764
  378   1HG   GLU  48          1HG       GLU  48  -7.610  13.893  -4.938
  379   2HG   GLU  48          2HG       GLU  48  -7.545  12.169  -4.574
  380    H    ASP  49           H        ASP  49  -7.370   9.934  -3.198
  381    HA   ASP  49           HA       ASP  49 -10.059   8.679  -3.531
  382   1HB   ASP  49          1HB       ASP  49  -9.163   7.765  -5.661
  383   2HB   ASP  49          2HB       ASP  49  -9.112   9.526  -5.667
  384    H    TYR  50           H        TYR  50  -9.980   6.328  -3.374
  385    HA   TYR  50           HA       TYR  50  -9.266   4.319  -2.339
  386   1HB   TYR  50          1HB       TYR  50  -6.542   5.458  -3.079
  387   2HB   TYR  50          2HB       TYR  50  -6.944   3.758  -2.860
  388    HD1  TYR  50           HD1      TYR  50  -9.214   3.110  -4.317
  389    HD2  TYR  50           HD2      TYR  50  -6.305   6.118  -5.290
  390    HE1  TYR  50           HE1      TYR  50  -9.868   2.970  -6.703
  391    HE2  TYR  50           HE2      TYR  50  -6.960   5.977  -7.677
  392    HH   TYR  50           HH       TYR  50  -9.004   3.467  -8.876
  393    H    LEU  51           H        LEU  51  -9.333   6.979  -0.806
  394    HA   LEU  51           HA       LEU  51  -7.430   6.244   1.392
  395   1HB   LEU  51          1HB       LEU  51  -7.281   8.456   0.032
  396   2HB   LEU  51          2HB       LEU  51  -8.733   8.934   0.913
  397    HG   LEU  51           HG       LEU  51  -7.370   8.211   3.030
  398   1HD1  LEU  51          1HD1      LEU  51  -4.907   9.140   1.884
  399   2HD1  LEU  51          2HD1      LEU  51  -5.478   7.754   0.955
  400   3HD1  LEU  51          3HD1      LEU  51  -5.228   7.607   2.694
  401   1HD2  LEU  51          1HD2      LEU  51  -7.517  10.679   1.489
  402   2HD2  LEU  51          2HD2      LEU  51  -6.033  10.600   2.445
  403   3HD2  LEU  51          3HD2      LEU  51  -7.605  10.446   3.236
  404    H    PHE  52           H        PHE  52  -8.425   5.481   3.204
  405    HA   PHE  52           HA       PHE  52 -11.341   5.865   3.581
  406   1HB   PHE  52          1HB       PHE  52  -9.157   4.269   4.966
  407   2HB   PHE  52          2HB       PHE  52 -10.837   4.260   5.500
  408    HD1  PHE  52           HD1      PHE  52 -12.365   2.765   4.531
  409    HD2  PHE  52           HD2      PHE  52  -8.725   3.711   2.455
  410    HE1  PHE  52           HE1      PHE  52 -12.901   1.060   2.813
  411    HE2  PHE  52           HE2      PHE  52  -9.262   2.006   0.737
  412    HZ   PHE  52           HZ       PHE  52 -11.350   0.680   0.916
  413    H    SER  53           H        SER  53 -11.992   7.660   4.720
  414    HA   SER  53           HA       SER  53 -10.045   9.010   6.510
  415   1HB   SER  53          1HB       SER  53 -12.633   9.673   5.127
  416   2HB   SER  53          2HB       SER  53 -12.081  10.685   6.457
  417    HG   SER  53           HG       SER  53 -10.430   9.989   4.275
  418    H    ARG  54           H        ARG  54 -10.310   9.121   8.717
  419    HA   ARG  54           HA       ARG  54 -12.641   7.658   9.891
  420   1HB   ARG  54          1HB       ARG  54  -9.968   7.250  10.135
  421   2HB   ARG  54          2HB       ARG  54 -10.213   8.385  11.462
  422   1HG   ARG  54          1HG       ARG  54 -12.003   6.938  12.363
  423   2HG   ARG  54          2HG       ARG  54 -11.740   5.797  11.042
  424   1HD   ARG  54          1HD       ARG  54 -10.248   4.808  12.470
  425   2HD   ARG  54          2HD       ARG  54  -9.184   6.165  12.042
  426    HE   ARG  54           HE       ARG  54 -11.094   6.900  14.104
  427   1HH1  ARG  54          1HH1      ARG  54  -8.076   5.272  13.511
  428   2HH1  ARG  54          2HH1      ARG  54  -7.485   5.549  15.113
  429   1HH2  ARG  54          1HH2      ARG  54 -10.306   7.248  16.177
  430   2HH2  ARG  54          2HH2      ARG  54  -8.737   6.659  16.612
  431    H    LYS  55           H        LYS  55 -13.154   8.560  12.199
  432    HA   LYS  55           HA       LYS  55 -13.751  11.410  11.939
  433   1HB   LYS  55          1HB       LYS  55 -14.140   9.405  14.199
  434   2HB   LYS  55          2HB       LYS  55 -14.932  10.976  14.084
  435   1HG   LYS  55          1HG       LYS  55 -15.236   9.347  11.660
  436   2HG   LYS  55          2HG       LYS  55 -15.949   8.604  13.092
  437   1HD   LYS  55          1HD       LYS  55 -16.510  11.466  12.946
  438   2HD   LYS  55          2HD       LYS  55 -17.113  10.600  11.533
  439   1HE   LYS  55          1HE       LYS  55 -18.891  10.453  13.118
  440   2HE   LYS  55          2HE       LYS  55 -18.062   8.890  13.260
  441   1HZ   LYS  55          1HZ       LYS  55 -16.634   9.985  14.989
  442   2HZ   LYS  55          2HZ       LYS  55 -18.255   9.766  15.447
  443   3HZ   LYS  55          3HZ       LYS  55 -17.708  11.300  14.964
  444    H    ASN  56           H        ASN  56 -11.493  12.152  11.908
  445    HA   ASN  56           HA       ASN  56  -9.960  11.886  14.431
  446   1HB   ASN  56          1HB       ASN  56 -11.469  13.775  14.801
  447   2HB   ASN  56          2HB       ASN  56  -9.840  14.401  14.555
  448   1HD2  ASN  56          1HD2      ASN  56 -12.960  13.870  12.869
  449   2HD2  ASN  56          2HD2      ASN  56 -12.707  15.067  11.691
  450    H    MET  57           H        MET  57  -9.812  11.357  11.341
  451    HA   MET  57           HA       MET  57  -7.713  13.069  10.336
  452   1HB   MET  57          1HB       MET  57  -5.800  11.721  10.819
  453   2HB   MET  57          2HB       MET  57  -6.687  11.835  12.333
  454   1HG   MET  57          1HG       MET  57  -7.795   9.612  11.047
  455   2HG   MET  57          2HG       MET  57  -6.066   9.496  10.732
  456   1HE   MET  57          1HE       MET  57  -4.536   9.858  14.270
  457   2HE   MET  57          2HE       MET  57  -5.274  11.305  13.582
  458   3HE   MET  57          3HE       MET  57  -4.375  10.196  12.546
  459    H    SER  58           H        SER  58  -6.306  10.828   8.992
  460    HA   SER  58           HA       SER  58  -8.447   9.483   7.452
  461   1HB   SER  58          1HB       SER  58  -6.386  11.077   5.957
  462   2HB   SER  58          2HB       SER  58  -8.007  10.613   5.446
  463    HG   SER  58           HG       SER  58  -8.867  12.190   6.651
  464    H    ALA  59           H        ALA  59  -7.486   7.904   5.867
  465    HA   ALA  59           HA       ALA  59  -4.642   7.194   6.335
  466   1HB   ALA  59          1HB       ALA  59  -5.544   5.946   8.093
  467   2HB   ALA  59          2HB       ALA  59  -5.680   4.779   6.777
  468   3HB   ALA  59          3HB       ALA  59  -7.088   5.721   7.270
  469    H    MET  60           H        MET  60  -3.858   5.653   4.723
  470    HA   MET  60           HA       MET  60  -5.543   5.616   2.252
  471   1HB   MET  60          1HB       MET  60  -3.324   6.651   2.107
  472   2HB   MET  60          2HB       MET  60  -2.578   5.209   2.794
  473   1HG   MET  60          1HG       MET  60  -2.289   5.182   0.373
  474   2HG   MET  60          2HG       MET  60  -3.398   3.894   0.841
  475   1HE   MET  60          1HE       MET  60  -3.693   7.878  -0.682
  476   2HE   MET  60          2HE       MET  60  -3.703   6.922  -2.164
  477   3HE   MET  60          3HE       MET  60  -2.451   6.654  -0.950
  478    H    ALA  61           H        ALA  61  -5.604   3.596   0.994
  479    HA   ALA  61           HA       ALA  61  -5.776   1.218   2.725
  480   1HB   ALA  61          1HB       ALA  61  -6.355   0.399   0.188
  481   2HB   ALA  61          2HB       ALA  61  -6.617   2.134   0.021
  482   3HB   ALA  61          3HB       ALA  61  -7.525   1.217   1.223
  483    H    LEU  62           H        LEU  62  -3.590   0.675   3.200
  484    HA   LEU  62           HA       LEU  62  -1.524  -0.392   2.824
  485   1HB   LEU  62          1HB       LEU  62  -0.895   0.600   0.249
  486   2HB   LEU  62          2HB       LEU  62  -1.897   1.835   1.010
  487    HG   LEU  62           HG       LEU  62  -0.413   1.656   3.048
  488   1HD1  LEU  62          1HD1      LEU  62   0.529  -0.611   1.685
  489   2HD1  LEU  62          2HD1      LEU  62   1.199   0.085   3.161
  490   3HD1  LEU  62          3HD1      LEU  62   1.845   0.559   1.589
  491   1HD2  LEU  62          1HD2      LEU  62   1.162   2.361   0.566
  492   2HD2  LEU  62          2HD2      LEU  62   1.253   3.109   2.159
  493   3HD2  LEU  62          3HD2      LEU  62  -0.169   3.362   1.146
  494    H    GLY  63           H        GLY  63  -3.018  -2.388   2.497
  495   1HA   GLY  63          1HA       GLY  63  -1.989  -3.930   0.330
  496   2HA   GLY  63          2HA       GLY  63  -3.327  -4.417   1.366
  497    H    PHE  64           H        PHE  64  -4.926  -5.039  -0.007
  498    HA   PHE  64           HA       PHE  64  -5.381  -3.596  -2.546
  499   1HB   PHE  64          1HB       PHE  64  -6.657  -6.012  -1.208
  500   2HB   PHE  64          2HB       PHE  64  -7.012  -5.477  -2.850
  501    HD1  PHE  64           HD1      PHE  64  -4.351  -6.792  -0.619
  502    HD2  PHE  64           HD2      PHE  64  -5.505  -5.913  -4.662
  503    HE1  PHE  64           HE1      PHE  64  -2.377  -8.039  -1.452
  504    HE2  PHE  64           HE2      PHE  64  -3.530  -7.162  -5.496
  505    HZ   PHE  64           HZ       PHE  64  -1.967  -8.224  -3.890
  506    H    GLY  65           H        GLY  65  -5.952  -2.069  -0.136
  507   1HA   GLY  65          1HA       GLY  65  -8.837  -2.142   0.302
  508   2HA   GLY  65          2HA       GLY  65  -7.722  -0.943   0.954
  509    H    ALA  66           H        ALA  66  -6.690  -0.612  -1.944
  510    HA   ALA  66           HA       ALA  66  -8.612   1.524  -2.637
  511   1HB   ALA  66          1HB       ALA  66  -5.928   0.655  -3.771
  512   2HB   ALA  66          2HB       ALA  66  -6.173   1.905  -2.552
  513   3HB   ALA  66          3HB       ALA  66  -6.772   2.145  -4.193
  514    H    ILE  67           H        ILE  67  -7.105  -1.289  -4.280
  515    HA   ILE  67           HA       ILE  67  -8.401  -1.047  -6.768
  516    HB   ILE  67           HB       ILE  67  -8.010  -3.557  -6.849
  517   1HG1  ILE  67          1HG1      ILE  67  -6.432  -3.886  -4.550
  518   2HG1  ILE  67          2HG1      ILE  67  -7.920  -3.131  -3.978
  519   1HG2  ILE  67          1HG2      ILE  67  -5.893  -1.594  -5.995
  520   2HG2  ILE  67          2HG2      ILE  67  -6.202  -2.261  -7.599
  521   3HG2  ILE  67          3HG2      ILE  67  -5.477  -3.272  -6.348
  522   1HD1  ILE  67          1HD1      ILE  67  -8.795  -5.219  -4.035
  523   2HD1  ILE  67          2HD1      ILE  67  -7.488  -5.832  -5.047
  524   3HD1  ILE  67          3HD1      ILE  67  -8.856  -4.997  -5.784
  525    H    PHE  68           H        PHE  68  -9.812  -1.921  -3.716
  526    HA   PHE  68           HA       PHE  68 -11.905  -3.637  -4.369
  527   1HB   PHE  68          1HB       PHE  68 -11.520  -1.307  -2.517
  528   2HB   PHE  68          2HB       PHE  68 -13.126  -2.020  -2.631
  529    HD1  PHE  68           HD1      PHE  68 -10.597  -2.037  -0.493
  530    HD2  PHE  68           HD2      PHE  68 -12.582  -4.868  -3.042
  531    HE1  PHE  68           HE1      PHE  68  -9.872  -3.885   0.994
  532    HE2  PHE  68           HE2      PHE  68 -11.856  -6.715  -1.555
  533    HZ   PHE  68           HZ       PHE  68 -10.502  -6.223   0.463
  534    H    ASN  69           H        ASN  69 -13.749  -3.482  -5.614
  535    HA   ASN  69           HA       ASN  69 -14.203  -0.949  -7.106
  536   1HB   ASN  69          1HB       ASN  69 -15.354  -3.753  -7.378
  537   2HB   ASN  69          2HB       ASN  69 -15.554  -2.447  -8.545
  538   1HD2  ASN  69          1HD2      ASN  69 -14.416  -4.414  -9.832
  539   2HD2  ASN  69          2HD2      ASN  69 -12.723  -4.307  -9.914
  540    H    HIS  70           H        HIS  70 -16.892  -1.237  -7.715
  541    HA   HIS  70           HA       HIS  70 -18.190  -0.664  -5.084
  542   1HB   HIS  70          1HB       HIS  70 -18.228   1.114  -6.771
  543   2HB   HIS  70          2HB       HIS  70 -18.873  -0.001  -7.974
  544    HD1  HIS  70           HD1      HIS  70 -21.264   0.620  -8.331
  545    HD2  HIS  70           HD2      HIS  70 -20.238   0.730  -4.291
  546    HE1  HIS  70           HE1      HIS  70 -23.395   1.140  -7.064
  547    H    SER  71           H        SER  71 -20.363  -1.577  -4.736
  548    HA   SER  71           HA       SER  71 -21.521  -3.520  -6.534
  549   1HB   SER  71          1HB       SER  71 -19.378  -4.622  -5.728
  550   2HB   SER  71          2HB       SER  71 -20.058  -4.602  -4.101
  551    HG   SER  71           HG       SER  71 -21.377  -5.747  -6.326
  552    H    LYS  72           H        LYS  72 -23.650  -3.649  -5.956
  553    HA   LYS  72           HA       LYS  72 -24.752  -2.310  -3.698
  554   1HB   LYS  72          1HB       LYS  72 -25.605  -3.549  -6.032
  555   2HB   LYS  72          2HB       LYS  72 -26.286  -4.583  -4.776
  556   1HG   LYS  72          1HG       LYS  72 -27.963  -3.011  -4.861
  557   2HG   LYS  72          2HG       LYS  72 -26.901  -2.188  -3.720
  558   1HD   LYS  72          1HD       LYS  72 -25.849  -0.978  -5.622
  559   2HD   LYS  72          2HD       LYS  72 -26.984  -1.758  -6.722
  560   1HE   LYS  72          1HE       LYS  72 -28.198  -0.393  -4.372
  561   2HE   LYS  72          2HE       LYS  72 -27.480   0.660  -5.606
  562   1HZ   LYS  72          1HZ       LYS  72 -29.754   0.111  -6.203
  563   2HZ   LYS  72          2HZ       LYS  72 -29.418  -1.549  -6.084
  564   3HZ   LYS  72          3HZ       LYS  72 -28.683  -0.619  -7.300
  565    H    ASP  73           H        ASP  73 -23.822  -5.703  -4.189
  566    HA   ASP  73           HA       ASP  73 -24.355  -6.185  -1.275
  567   1HB   ASP  73          1HB       ASP  73 -25.005  -7.636  -3.783
  568   2HB   ASP  73          2HB       ASP  73 -24.424  -8.651  -2.464
  569    HA   PRO  74           HA       PRO  74 -19.824  -6.685  -2.194
  570   1HB   PRO  74          1HB       PRO  74 -19.078  -5.768   0.329
  571   2HB   PRO  74          2HB       PRO  74 -19.198  -4.749  -1.115
  572   1HG   PRO  74          1HG       PRO  74 -21.107  -5.089   1.135
  573   2HG   PRO  74          2HG       PRO  74 -20.720  -3.645   0.191
  574   1HD   PRO  74          1HD       PRO  74 -22.991  -5.088  -0.168
  575   2HD   PRO  74          2HD       PRO  74 -22.202  -4.184  -1.478
  576    H    ASN  75           H        ASN  75 -19.862  -8.958  -2.074
  577    HA   ASN  75           HA       ASN  75 -20.743 -10.569   0.063
  578   1HB   ASN  75          1HB       ASN  75 -18.419 -10.998  -1.852
  579   2HB   ASN  75          2HB       ASN  75 -19.310 -12.268  -1.013
  580   1HD2  ASN  75          1HD2      ASN  75 -21.121 -13.089  -2.095
  581   2HD2  ASN  75          2HD2      ASN  75 -21.874 -12.343  -3.421
  582    H    ALA  76           H        ALA  76 -17.869  -8.610  -0.177
  583    HA   ALA  76           HA       ALA  76 -16.950  -9.725   2.451
  584   1HB   ALA  76          1HB       ALA  76 -15.196 -10.480   1.200
  585   2HB   ALA  76          2HB       ALA  76 -14.683  -8.793   1.155
  586   3HB   ALA  76          3HB       ALA  76 -15.634  -9.462  -0.172
  587    H    ARG  77           H        ARG  77 -15.624  -8.125   3.689
  588    HA   ARG  77           HA       ARG  77 -16.048  -5.282   2.898
  589   1HB   ARG  77          1HB       ARG  77 -17.959  -6.095   4.295
  590   2HB   ARG  77          2HB       ARG  77 -16.815  -6.527   5.565
  591   1HG   ARG  77          1HG       ARG  77 -16.174  -4.229   5.878
  592   2HG   ARG  77          2HG       ARG  77 -17.048  -3.728   4.430
  593   1HD   ARG  77          1HD       ARG  77 -19.188  -4.297   5.481
  594   2HD   ARG  77          2HD       ARG  77 -18.344  -4.918   6.912
  595    HE   ARG  77           HE       ARG  77 -17.343  -2.335   6.547
  596   1HH1  ARG  77          1HH1      ARG  77 -20.476  -3.779   7.011
  597   2HH1  ARG  77          2HH1      ARG  77 -21.122  -2.386   7.806
  598   1HH2  ARG  77          1HH2      ARG  77 -18.205  -0.538   7.581
  599   2HH2  ARG  77          2HH2      ARG  77 -19.849  -0.564   8.127
  600    H    HIS  78           H        HIS  78 -14.602  -3.821   4.067
  601    HA   HIS  78           HA       HIS  78 -12.072  -5.138   4.844
  602   1HB   HIS  78          1HB       HIS  78 -11.237  -2.803   4.706
  603   2HB   HIS  78          2HB       HIS  78 -12.160  -3.227   3.265
  604    HD1  HIS  78           HD1      HIS  78 -14.439  -2.065   2.913
  605    HD2  HIS  78           HD2      HIS  78 -12.535  -0.931   6.444
  606    HE1  HIS  78           HE1      HIS  78 -15.706  -0.059   3.797
  607    H    GLU  79           H        GLU  79 -10.923  -4.263   6.825
  608    HA   GLU  79           HA       GLU  79 -12.731  -3.276   8.971
  609   1HB   GLU  79          1HB       GLU  79 -12.599  -5.882   8.691
  610   2HB   GLU  79          2HB       GLU  79 -10.996  -5.708   9.404
  611   1HG   GLU  79          1HG       GLU  79 -12.685  -6.163  11.144
  612   2HG   GLU  79          2HG       GLU  79 -11.988  -4.557  11.351
  613    H    LEU  80           H        LEU  80 -11.476  -2.586  10.895
  614    HA   LEU  80           HA       LEU  80  -8.605  -2.002  10.240
  615   1HB   LEU  80          1HB       LEU  80 -10.836  -0.353  11.450
  616   2HB   LEU  80          2HB       LEU  80  -9.145   0.097  11.673
  617    HG   LEU  80           HG       LEU  80 -10.226  -0.482   8.920
  618   1HD1  LEU  80          1HD1      LEU  80 -10.129   2.296  10.086
  619   2HD1  LEU  80          2HD1      LEU  80 -11.581   1.306  10.236
  620   3HD1  LEU  80          3HD1      LEU  80 -10.968   1.737   8.639
  621   1HD2  LEU  80          1HD2      LEU  80  -8.386   1.050   8.288
  622   2HD2  LEU  80          2HD2      LEU  80  -7.790  -0.315   9.233
  623   3HD2  LEU  80          3HD2      LEU  80  -7.988   1.264   9.993
  624    H    THR  81           H        THR  81  -7.139  -2.128  12.011
  625    HA   THR  81           HA       THR  81  -7.873  -3.962  14.140
  626    HB   THR  81           HB       THR  81  -5.457  -3.117  14.858
  627    HG1  THR  81           HG1      THR  81  -4.894  -1.508  13.646
  628   1HG2  THR  81          1HG2      THR  81  -4.608  -4.874  13.616
  629   2HG2  THR  81          2HG2      THR  81  -5.493  -4.411  12.162
  630   3HG2  THR  81          3HG2      THR  81  -6.330  -5.231  13.480
  631    H    ALA  82           H        ALA  82  -9.712  -2.237  14.729
  632    HA   ALA  82           HA       ALA  82 -10.529  -0.692  16.318
  633   1HB   ALA  82          1HB       ALA  82  -9.347  -0.891  18.487
  634   2HB   ALA  82          2HB       ALA  82  -7.970  -1.630  17.670
  635   3HB   ALA  82          3HB       ALA  82  -9.518  -2.474  17.728
  636    H    GLY  83           H        GLY  83  -8.925   0.460  14.204
  637   1HA   GLY  83          1HA       GLY  83  -8.504   3.071  15.138
  638   2HA   GLY  83          2HA       GLY  83  -6.944   2.261  15.272
  639    H    LEU  84           H        LEU  84  -5.771   3.039  13.567
  640    HA   LEU  84           HA       LEU  84  -6.926   2.679  10.828
  641   1HB   LEU  84          1HB       LEU  84  -6.524   5.096  12.216
  642   2HB   LEU  84          2HB       LEU  84  -5.162   4.989  11.101
  643    HG   LEU  84           HG       LEU  84  -6.699   4.640   9.221
  644   1HD1  LEU  84          1HD1      LEU  84  -8.592   4.227  11.429
  645   2HD1  LEU  84          2HD1      LEU  84  -8.668   3.653   9.764
  646   3HD1  LEU  84          3HD1      LEU  84  -9.218   5.281  10.161
  647   1HD2  LEU  84          1HD2      LEU  84  -7.171   6.869   9.004
  648   2HD2  LEU  84          2HD2      LEU  84  -6.243   6.997  10.498
  649   3HD2  LEU  84          3HD2      LEU  84  -8.005   6.947  10.556
  650    H    LYS  85           H        LYS  85  -4.822   1.309  12.641
  651    HA   LYS  85           HA       LYS  85  -2.290   1.816  11.254
  652   1HB   LYS  85          1HB       LYS  85  -3.109  -0.344  13.232
  653   2HB   LYS  85          2HB       LYS  85  -1.464   0.179  12.874
  654   1HG   LYS  85          1HG       LYS  85  -3.616   1.975  14.032
  655   2HG   LYS  85          2HG       LYS  85  -2.367   1.174  14.986
  656   1HD   LYS  85          1HD       LYS  85  -0.823   2.706  14.400
  657   2HD   LYS  85          2HD       LYS  85  -1.248   2.592  12.695
  658   1HE   LYS  85          1HE       LYS  85  -3.309   4.016  13.263
  659   2HE   LYS  85          2HE       LYS  85  -2.525   4.334  14.822
  660   1HZ   LYS  85          1HZ       LYS  85  -1.835   6.003  13.248
  661   2HZ   LYS  85          2HZ       LYS  85  -1.383   4.820  12.116
  662   3HZ   LYS  85          3HZ       LYS  85  -0.513   4.985  13.565
  663    H    ARG  86           H        ARG  86  -4.048  -1.267  11.806
  664    HA   ARG  86           HA       ARG  86  -2.977  -2.227   9.188
  665   1HB   ARG  86          1HB       ARG  86  -3.705  -3.370  11.842
  666   2HB   ARG  86          2HB       ARG  86  -3.975  -4.411  10.445
  667   1HG   ARG  86          1HG       ARG  86  -1.579  -3.798   9.739
  668   2HG   ARG  86          2HG       ARG  86  -1.384  -3.165  11.374
  669   1HD   ARG  86          1HD       ARG  86  -2.517  -5.631  11.860
  670   2HD   ARG  86          2HD       ARG  86  -1.487  -5.963  10.455
  671    HE   ARG  86           HE       ARG  86   0.104  -4.377  12.077
  672   1HH1  ARG  86          1HH1      ARG  86  -1.696  -7.321  12.538
  673   2HH1  ARG  86          2HH1      ARG  86  -0.616  -7.920  13.749
  674   1HH2  ARG  86          1HH2      ARG  86   1.490  -5.177  13.651
  675   2HH2  ARG  86          2HH2      ARG  86   1.174  -6.717  14.376
  676    H    MET  87           H        MET  87  -4.449  -3.643   7.902
  677    HA   MET  87           HA       MET  87  -7.353  -3.001   8.278
  678   1HB   MET  87          1HB       MET  87  -5.479  -2.214   6.192
  679   2HB   MET  87          2HB       MET  87  -6.812  -3.147   5.512
  680   1HG   MET  87          1HG       MET  87  -8.383  -1.638   6.830
  681   2HG   MET  87          2HG       MET  87  -6.983  -0.622   7.174
  682   1HE   MET  87          1HE       MET  87  -9.776  -0.979   3.985
  683   2HE   MET  87          2HE       MET  87  -9.194  -2.308   4.988
  684   3HE   MET  87          3HE       MET  87  -8.581  -2.108   3.347
  685    H    ARG  88           H        ARG  88  -8.766  -4.684   7.571
  686    HA   ARG  88           HA       ARG  88  -7.444  -7.200   6.612
  687   1HB   ARG  88          1HB       ARG  88  -9.555  -6.859   8.774
  688   2HB   ARG  88          2HB       ARG  88  -8.892  -8.400   8.230
  689   1HG   ARG  88          1HG       ARG  88  -6.706  -7.847   9.045
  690   2HG   ARG  88          2HG       ARG  88  -7.165  -6.167   9.321
  691   1HD   ARG  88          1HD       ARG  88  -7.533  -6.871  11.474
  692   2HD   ARG  88          2HD       ARG  88  -9.047  -7.521  10.817
  693    HE   ARG  88           HE       ARG  88  -6.994  -9.402  10.260
  694   1HH1  ARG  88          1HH1      ARG  88  -8.645  -8.022  12.996
  695   2HH1  ARG  88          2HH1      ARG  88  -8.433  -9.431  13.975
  696   1HH2  ARG  88          1HH2      ARG  88  -6.731 -11.221  11.551
  697   2HH2  ARG  88          2HH2      ARG  88  -7.358 -11.229  13.166
  698    H    ILE  89           H        ILE  89  -9.118  -8.748   5.695
  699    HA   ILE  89           HA       ILE  89 -11.486  -7.302   4.563
  700    HB   ILE  89           HB       ILE  89  -9.560  -9.162   3.120
  701   1HG1  ILE  89          1HG1      ILE  89  -9.914  -6.160   2.865
  702   2HG1  ILE  89          2HG1      ILE  89  -8.582  -6.941   3.716
  703   1HG2  ILE  89          1HG2      ILE  89 -11.995  -9.077   2.362
  704   2HG2  ILE  89          2HG2      ILE  89 -10.802  -8.647   1.137
  705   3HG2  ILE  89          3HG2      ILE  89 -11.716  -7.383   1.959
  706   1HD1  ILE  89          1HD1      ILE  89  -9.062  -7.919   0.964
  707   2HD1  ILE  89          2HD1      ILE  89  -7.541  -7.561   1.782
  708   3HD1  ILE  89          3HD1      ILE  89  -8.495  -6.253   1.080
  709    H    PHE  90           H        PHE  90 -12.940  -8.441   5.938
  710    HA   PHE  90           HA       PHE  90 -12.830 -11.395   6.032
  711   1HB   PHE  90          1HB       PHE  90 -14.454  -9.186   7.311
  712   2HB   PHE  90          2HB       PHE  90 -14.903 -10.879   7.516
  713    HD1  PHE  90           HD1      PHE  90 -13.674 -12.325   8.967
  714    HD2  PHE  90           HD2      PHE  90 -12.188  -8.398   8.058
  715    HE1  PHE  90           HE1      PHE  90 -11.959 -12.563  10.743
  716    HE2  PHE  90           HE2      PHE  90 -10.473  -8.636   9.834
  717    HZ   PHE  90           HZ       PHE  90 -10.359 -10.719  11.177
  718    H    THR  91           H        THR  91 -15.236 -12.367   5.888
  719    HA   THR  91           HA       THR  91 -16.414 -11.383   3.309
  720    HB   THR  91           HB       THR  91 -17.143 -13.947   3.354
  721    HG1  THR  91           HG1      THR  91 -14.726 -14.030   4.807
  722   1HG2  THR  91          1HG2      THR  91 -15.648 -12.894   1.685
  723   2HG2  THR  91          2HG2      THR  91 -15.070 -14.496   2.142
  724   3HG2  THR  91          3HG2      THR  91 -14.295 -13.056   2.803
  725    H    ILE  92           H        ILE  92 -18.046 -10.072   4.299
  726    HA   ILE  92           HA       ILE  92 -19.652 -10.735   6.524
  727    HB   ILE  92           HB       ILE  92 -21.197  -9.063   5.520
  728   1HG1  ILE  92          1HG1      ILE  92 -19.424  -8.911   3.105
  729   2HG1  ILE  92          2HG1      ILE  92 -20.712 -10.115   3.144
  730   1HG2  ILE  92          1HG2      ILE  92 -18.880  -8.485   6.529
  731   2HG2  ILE  92          2HG2      ILE  92 -19.683  -7.249   5.561
  732   3HG2  ILE  92          3HG2      ILE  92 -18.380  -8.208   4.861
  733   1HD1  ILE  92          1HD1      ILE  92 -22.027  -7.890   4.051
  734   2HD1  ILE  92          2HD1      ILE  92 -22.016  -8.419   2.369
  735   3HD1  ILE  92          3HD1      ILE  92 -20.886  -7.178   2.910
  736    H    LYS  93           H        LYS  93 -19.707 -12.040   3.300
  737    HA   LYS  93           HA       LYS  93 -22.091 -13.683   4.059
  738   1HB   LYS  93          1HB       LYS  93 -21.553 -12.216   1.449
  739   2HB   LYS  93          2HB       LYS  93 -22.901 -13.322   1.714
  740   1HG   LYS  93          1HG       LYS  93 -23.040 -11.583   3.884
  741   2HG   LYS  93          2HG       LYS  93 -22.600 -10.533   2.537
  742   1HD   LYS  93          1HD       LYS  93 -24.509 -12.092   1.366
  743   2HD   LYS  93          2HD       LYS  93 -25.105 -12.032   3.025
  744   1HE   LYS  93          1HE       LYS  93 -24.900  -9.529   2.957
  745   2HE   LYS  93          2HE       LYS  93 -24.460  -9.655   1.243
  746   1HZ   LYS  93          1HZ       LYS  93 -26.855  -9.359   1.504
  747   2HZ   LYS  93          2HZ       LYS  93 -26.937 -10.737   2.494
  748   3HZ   LYS  93          3HZ       LYS  93 -26.512 -10.892   0.857
  749    HA   PRO  94           HA       PRO  94 -19.833 -17.159   2.613
  750   1HB   PRO  94          1HB       PRO  94 -22.082 -17.980   0.931
  751   2HB   PRO  94          2HB       PRO  94 -21.343 -18.832   2.285
  752   1HG   PRO  94          1HG       PRO  94 -23.774 -17.671   2.438
  753   2HG   PRO  94          2HG       PRO  94 -22.686 -17.817   3.823
  754   1HD   PRO  94          1HD       PRO  94 -23.360 -15.432   2.191
  755   2HD   PRO  94          2HD       PRO  94 -22.907 -15.546   3.907
  756    H    ILE  95           H        ILE  95 -18.791 -18.012   0.660
  757    HA   ILE  95           HA       ILE  95 -19.310 -16.494  -1.850
  758    HB   ILE  95           HB       ILE  95 -16.768 -16.595  -0.202
  759   1HG1  ILE  95          1HG1      ILE  95 -18.388 -14.327  -1.398
  760   2HG1  ILE  95          2HG1      ILE  95 -18.383 -14.804   0.300
  761   1HG2  ILE  95          1HG2      ILE  95 -17.045 -16.496  -3.110
  762   2HG2  ILE  95          2HG2      ILE  95 -15.585 -16.655  -2.119
  763   3HG2  ILE  95          3HG2      ILE  95 -16.242 -15.056  -2.471
  764   1HD1  ILE  95          1HD1      ILE  95 -16.079 -13.668  -1.305
  765   2HD1  ILE  95          2HD1      ILE  95 -15.872 -14.399   0.287
  766   3HD1  ILE  95          3HD1      ILE  95 -16.865 -12.952   0.103
  767    H    ALA  96           H        ALA  96 -19.039 -17.776  -3.633
  768    HA   ALA  96           HA       ALA  96 -18.103 -20.572  -3.222
  769   1HB   ALA  96          1HB       ALA  96 -20.311 -20.255  -4.170
  770   2HB   ALA  96          2HB       ALA  96 -19.263 -20.789  -5.485
  771   3HB   ALA  96          3HB       ALA  96 -19.693 -19.083  -5.337
  772    H    ILE  97           H        ILE  97 -16.838 -21.530  -5.045
  773    HA   ILE  97           HA       ILE  97 -14.454 -20.052  -5.625
  774    HB   ILE  97           HB       ILE  97 -15.681 -22.532  -6.890
  775   1HG1  ILE  97          1HG1      ILE  97 -13.665 -23.269  -5.123
  776   2HG1  ILE  97          2HG1      ILE  97 -14.493 -21.963  -4.281
  777   1HG2  ILE  97          1HG2      ILE  97 -13.414 -21.099  -7.670
  778   2HG2  ILE  97          2HG2      ILE  97 -13.780 -22.773  -8.085
  779   3HG2  ILE  97          3HG2      ILE  97 -12.776 -22.412  -6.681
  780   1HD1  ILE  97          1HD1      ILE  97 -16.370 -23.208  -3.970
  781   2HD1  ILE  97          2HD1      ILE  97 -15.331 -24.589  -4.326
  782   3HD1  ILE  97          3HD1      ILE  97 -16.308 -23.867  -5.605
  783    H    GLY  98           H        GLY  98 -14.521 -18.272  -6.958
  784   1HA   GLY  98          1HA       GLY  98 -14.480 -17.640  -9.371
  785   2HA   GLY  98          2HA       GLY  98 -15.967 -18.569  -9.559
  786    H    GLU  99           H        GLU  99 -15.564 -16.652  -6.685
  787    HA   GLU  99           HA       GLU  99 -17.802 -14.913  -7.576
  788   1HB   GLU  99          1HB       GLU  99 -16.513 -15.786  -5.009
  789   2HB   GLU  99          2HB       GLU  99 -17.360 -14.242  -5.004
  790   1HG   GLU  99          1HG       GLU  99 -18.509 -16.944  -5.739
  791   2HG   GLU  99          2HG       GLU  99 -18.902 -15.983  -4.321
  792    H    GLU 100           H        GLU 100 -17.501 -12.560  -6.490
  793    HA   GLU 100           HA       GLU 100 -14.746 -11.589  -7.172
  794   1HB   GLU 100          1HB       GLU 100 -16.842 -11.193  -8.763
  795   2HB   GLU 100          2HB       GLU 100 -17.219  -9.927  -7.594
  796   1HG   GLU 100          1HG       GLU 100 -14.554  -9.482  -7.994
  797   2HG   GLU 100          2HG       GLU 100 -15.035 -10.069  -9.586
  798    H    ILE 101           H        ILE 101 -13.835 -10.649  -5.408
  799    HA   ILE 101           HA       ILE 101 -15.534  -9.894  -3.118
  800    HB   ILE 101           HB       ILE 101 -12.519  -9.788  -3.470
  801   1HG1  ILE 101          1HG1      ILE 101 -14.300 -12.058  -2.538
  802   2HG1  ILE 101          2HG1      ILE 101 -13.314 -12.032  -3.991
  803   1HG2  ILE 101          1HG2      ILE 101 -12.396  -9.468  -1.203
  804   2HG2  ILE 101          2HG2      ILE 101 -13.854 -10.408  -0.892
  805   3HG2  ILE 101          3HG2      ILE 101 -13.984  -8.745  -1.463
  806   1HD1  ILE 101          1HD1      ILE 101 -11.541 -12.779  -2.831
  807   2HD1  ILE 101          2HD1      ILE 101 -12.531 -12.833  -1.372
  808   3HD1  ILE 101          3HD1      ILE 101 -11.635 -11.369  -1.776
  809    H    THR 102           H        THR 102 -16.067  -7.840  -2.629
  810    HA   THR 102           HA       THR 102 -14.443  -5.533  -3.427
  811    HB   THR 102           HB       THR 102 -17.142  -6.184  -4.670
  812    HG1  THR 102           HG1      THR 102 -15.719  -7.072  -5.966
  813   1HG2  THR 102          1HG2      THR 102 -17.166  -3.836  -4.197
  814   2HG2  THR 102          2HG2      THR 102 -16.737  -3.992  -5.900
  815   3HG2  THR 102          3HG2      THR 102 -15.487  -3.651  -4.704
  816    H    ILE 103           H        ILE 103 -15.079  -3.667  -2.213
  817    HA   ILE 103           HA       ILE 103 -17.239  -4.179  -0.194
  818    HB   ILE 103           HB       ILE 103 -15.868  -2.706   1.253
  819   1HG1  ILE 103          1HG1      ILE 103 -13.518  -2.671  -0.476
  820   2HG1  ILE 103          2HG1      ILE 103 -14.864  -1.774  -1.177
  821   1HG2  ILE 103          1HG2      ILE 103 -15.403  -5.224   0.926
  822   2HG2  ILE 103          2HG2      ILE 103 -14.124  -4.259   1.664
  823   3HG2  ILE 103          3HG2      ILE 103 -14.016  -4.713  -0.036
  824   1HD1  ILE 103          1HD1      ILE 103 -14.024  -0.100   0.153
  825   2HD1  ILE 103          2HD1      ILE 103 -13.304  -1.230   1.300
  826   3HD1  ILE 103          3HD1      ILE 103 -15.034  -0.889   1.365
  827    H    SER 104           H        SER 104 -18.333  -2.155   0.591
  828    HA   SER 104           HA       SER 104 -19.150  -0.487  -1.681
  829   1HB   SER 104          1HB       SER 104 -20.526  -1.507   0.290
  830   2HB   SER 104          2HB       SER 104 -19.911  -0.145   1.225
  831    HG   SER 104           HG       SER 104 -21.753   0.596   0.349
  832    H    TYR 105           H        TYR 105 -19.645   1.949  -0.282
  833    HA   TYR 105           HA       TYR 105 -16.861   2.899   0.295
  834   1HB   TYR 105          1HB       TYR 105 -19.093   4.213  -1.296
  835   2HB   TYR 105          2HB       TYR 105 -17.535   4.962  -0.950
  836    HD1  TYR 105           HD1      TYR 105 -19.080   3.812  -3.615
  837    HD2  TYR 105           HD2      TYR 105 -15.687   2.666  -1.242
  838    HE1  TYR 105           HE1      TYR 105 -18.101   2.647  -5.574
  839    HE2  TYR 105           HE2      TYR 105 -14.709   1.503  -3.200
  840    HH   TYR 105           HH       TYR 105 -14.841   1.385  -5.520
  841    H    GLY 106           H        GLY 106 -19.669   5.039   0.335
  842   1HA   GLY 106          1HA       GLY 106 -20.372   4.707   3.091
  843   2HA   GLY 106          2HA       GLY 106 -19.161   5.980   2.952
  844    H    ASP 107           H        ASP 107 -21.632   6.700   3.877
  845    HA   ASP 107           HA       ASP 107 -23.574   7.464   1.929
  846   1HB   ASP 107          1HB       ASP 107 -22.756   8.317   4.697
  847   2HB   ASP 107          2HB       ASP 107 -23.986   9.247   3.842
  848    H    ASP 108           H        ASP 108 -21.120   9.538   3.534
  849    HA   ASP 108           HA       ASP 108 -21.480  11.819   1.882
  850   1HB   ASP 108          1HB       ASP 108 -19.630  10.753   3.870
  851   2HB   ASP 108          2HB       ASP 108 -18.776  11.697   2.650
  852    H    TYR 109           H        TYR 109 -19.324   8.998   1.502
  853    HA   TYR 109           HA       TYR 109 -18.256  10.047  -1.034
  854   1HB   TYR 109          1HB       TYR 109 -17.424   8.362   1.039
  855   2HB   TYR 109          2HB       TYR 109 -17.686   7.265  -0.314
  856    HD1  TYR 109           HD1      TYR 109 -15.554   6.743  -1.144
  857    HD2  TYR 109           HD2      TYR 109 -16.546  10.833  -0.288
  858    HE1  TYR 109           HE1      TYR 109 -13.408   7.474  -2.151
  859    HE2  TYR 109           HE2      TYR 109 -14.400  11.564  -1.294
  860    HH   TYR 109           HH       TYR 109 -11.858   9.640  -1.795
  861    H    TRP 110           H        TRP 110 -21.181   9.354  -0.880
  862    HA   TRP 110           HA       TRP 110 -21.407   7.989  -3.396
  863   1HB   TRP 110          1HB       TRP 110 -20.734   6.258  -1.490
  864   2HB   TRP 110          2HB       TRP 110 -22.459   6.332  -1.123
  865    HD1  TRP 110           HD1      TRP 110 -23.800   4.600  -2.349
  866    HE1  TRP 110           HE1      TRP 110 -23.648   3.384  -4.623
  867    HE3  TRP 110           HE3      TRP 110 -19.574   6.762  -4.213
  868    HZ2  TRP 110           HZ2      TRP 110 -21.950   3.345  -6.929
  869    HZ3  TRP 110           HZ3      TRP 110 -18.709   6.122  -6.446
  870    HH2  TRP 110           HH2      TRP 110 -19.890   4.417  -7.804
  871    H    LEU 111           H        LEU 111 -23.925   7.012  -3.361
  872    HA   LEU 111           HA       LEU 111 -25.652   9.217  -3.375
  873   1HB   LEU 111          1HB       LEU 111 -25.941   6.865  -4.314
  874   2HB   LEU 111          2HB       LEU 111 -26.398   6.354  -2.689
  875    HG   LEU 111           HG       LEU 111 -28.135   8.258  -2.776
  876   1HD1  LEU 111          1HD1      LEU 111 -27.007   8.287  -5.523
  877   2HD1  LEU 111          2HD1      LEU 111 -27.749   9.592  -4.598
  878   3HD1  LEU 111          3HD1      LEU 111 -28.763   8.397  -5.406
  879   1HD2  LEU 111          1HD2      LEU 111 -28.614   5.795  -2.989
  880   2HD2  LEU 111          2HD2      LEU 111 -28.485   5.974  -4.739
  881   3HD2  LEU 111          3HD2      LEU 111 -29.758   6.819  -3.858
  882    H    SER 112           H        SER 112 -27.332   9.887  -1.875
  883    HA   SER 112           HA       SER 112 -26.485  10.009   0.882
  884   1HB   SER 112          1HB       SER 112 -27.742  11.792  -0.196
  885   2HB   SER 112          2HB       SER 112 -29.059  10.685  -0.584
  886    HG   SER 112           HG       SER 112 -28.995  12.148   1.474
  887    H    ARG 113           H        ARG 113 -26.572   8.180   2.146
  888    HA   ARG 113           HA       ARG 113 -27.437   6.241   3.177
  889   1HB   ARG 113          1HB       ARG 113 -29.380   8.341   3.035
  890   2HB   ARG 113          2HB       ARG 113 -30.225   6.809   2.810
  891   1HG   ARG 113          1HG       ARG 113 -29.393   5.941   4.874
  892   2HG   ARG 113          2HG       ARG 113 -28.213   7.241   5.028
  893   1HD   ARG 113          1HD       ARG 113 -30.764   8.481   4.782
  894   2HD   ARG 113          2HD       ARG 113 -30.924   7.188   5.986
  895    HE   ARG 113           HE       ARG 113 -28.456   8.711   6.294
  896   1HH1  ARG 113          1HH1      ARG 113 -31.857   8.604   7.028
  897   2HH1  ARG 113          2HH1      ARG 113 -31.696   9.590   8.439
  898   1HH2  ARG 113          1HH2      ARG 113 -28.273   9.990   8.130
  899   2HH2  ARG 113          2HH2      ARG 113 -29.683  10.370   9.060
  900    HA   PRO 114           HA       PRO 114 -28.392   4.314  -0.905
  901   1HB   PRO 114          1HB       PRO 114 -26.588   2.250  -0.615
  902   2HB   PRO 114          2HB       PRO 114 -26.171   3.817  -1.330
  903   1HG   PRO 114          1HG       PRO 114 -25.631   2.766   1.395
  904   2HG   PRO 114          2HG       PRO 114 -24.642   3.818   0.374
  905   1HD   PRO 114          1HD       PRO 114 -26.152   4.692   2.494
  906   2HD   PRO 114          2HD       PRO 114 -25.679   5.710   1.121
  907    H    ARG 115           H        ARG 115 -30.417   3.489  -0.306
  908    HA   ARG 115           HA       ARG 115 -30.701   1.528   1.840
  909   1HB   ARG 115          1HB       ARG 115 -32.650   2.452  -0.282
  910   2HB   ARG 115          2HB       ARG 115 -33.052   1.684   1.253
  911   1HG   ARG 115          1HG       ARG 115 -31.818   4.420   0.830
  912   2HG   ARG 115          2HG       ARG 115 -33.374   4.038   1.545
  913   1HD   ARG 115          1HD       ARG 115 -31.855   2.643   3.247
  914   2HD   ARG 115          2HD       ARG 115 -30.661   3.868   2.766
  915    HE   ARG 115           HE       ARG 115 -32.941   5.359   3.196
  916   1HH1  ARG 115          1HH1      ARG 115 -31.237   2.975   5.074
  917   2HH1  ARG 115          2HH1      ARG 115 -31.715   3.663   6.586
  918   1HH2  ARG 115          1HH2      ARG 115 -33.550   6.236   5.172
  919   2HH2  ARG 115          2HH2      ARG 115 -33.015   5.496   6.644
  920    H    LEU 116           H        LEU 116 -30.504  -0.670   1.566
  921    HA   LEU 116           HA       LEU 116 -30.728  -1.759  -1.223
  922   1HB   LEU 116          1HB       LEU 116 -28.617  -1.799   0.781
  923   2HB   LEU 116          2HB       LEU 116 -29.087  -3.439   0.337
  924    HG   LEU 116           HG       LEU 116 -28.882  -1.642  -1.971
  925   1HD1  LEU 116          1HD1      LEU 116 -26.370  -1.644  -1.928
  926   2HD1  LEU 116          2HD1      LEU 116 -26.444  -2.200  -0.256
  927   3HD1  LEU 116          3HD1      LEU 116 -27.091  -0.617  -0.689
  928   1HD2  LEU 116          1HD2      LEU 116 -28.362  -4.413  -1.187
  929   2HD2  LEU 116          2HD2      LEU 116 -27.104  -3.762  -2.238
  930   3HD2  LEU 116          3HD2      LEU 116 -28.787  -3.757  -2.768
  931    H    THR 117           H        THR 117 -32.637  -1.583   1.228
  932    HA   THR 117           HA       THR 117 -32.993  -4.312   2.152
  933    HB   THR 117           HB       THR 117 -34.932  -1.972   2.092
  934    HG1  THR 117           HG1      THR 117 -33.389  -1.105   3.233
  935   1HG2  THR 117          1HG2      THR 117 -35.969  -3.043   3.980
  936   2HG2  THR 117          2HG2      THR 117 -34.665  -4.225   4.099
  937   3HG2  THR 117          3HG2      THR 117 -35.781  -4.277   2.734
  938    H    GLN 118           H        GLN 118 -34.493  -5.854   1.400
  939    HA   GLN 118           HA       GLN 118 -35.198  -5.798  -1.391
  940   1HB   GLN 118          1HB       GLN 118 -34.773  -7.752   0.266
  941   2HB   GLN 118          2HB       GLN 118 -36.450  -7.523   0.759
  942   1HG   GLN 118          1HG       GLN 118 -37.043  -7.689  -1.731
  943   2HG   GLN 118          2HG       GLN 118 -35.400  -8.283  -1.973
  944   1HE2  GLN 118          1HE2      GLN 118 -37.034 -10.214  -2.666
  945   2HE2  GLN 118          2HE2      GLN 118 -37.314 -11.358  -1.444
  946    H    ASN 119           H        ASN 119 -37.206  -5.365  -2.366
  947    HA   ASN 119           HA       ASN 119 -38.996  -3.544  -1.008
  948   1HB   ASN 119          1HB       ASN 119 -40.240  -3.747  -3.160
  949   2HB   ASN 119          2HB       ASN 119 -38.512  -3.516  -3.430
  950   1HD2  ASN 119          1HD2      ASN 119 -41.030  -5.293  -4.591
  951   2HD2  ASN 119          2HD2      ASN 119 -40.209  -6.703  -5.058
  952   1H    GLY 201          1H        GLY 201 -38.949  34.773  -4.509
  953   2H    GLY 201          2H        GLY 201 -40.039  36.062  -4.331
  954   3H    GLY 201          3H        GLY 201 -38.985  35.661  -3.062
  955   1HA   GLY 201          1HA       GLY 201 -38.452  37.117  -5.542
  956   2HA   GLY 201          2HA       GLY 201 -37.848  37.417  -3.912
  957    H    LYS 202           H        LYS 202 -35.783  36.765  -3.511
  958    HA   LYS 202           HA       LYS 202 -34.604  34.669  -5.307
  959   1HB   LYS 202          1HB       LYS 202 -32.529  36.030  -5.193
  960   2HB   LYS 202          2HB       LYS 202 -33.871  36.980  -5.832
  961   1HG   LYS 202          1HG       LYS 202 -33.876  37.179  -2.967
  962   2HG   LYS 202          2HG       LYS 202 -32.259  37.556  -3.561
  963   1HD   LYS 202          1HD       LYS 202 -32.968  39.419  -4.715
  964   2HD   LYS 202          2HD       LYS 202 -34.563  38.740  -5.038
  965   1HE   LYS 202          1HE       LYS 202 -34.280  39.047  -2.196
  966   2HE   LYS 202          2HE       LYS 202 -33.852  40.580  -2.980
  967   1HZ   LYS 202          1HZ       LYS 202 -36.322  38.970  -3.331
  968   2HZ   LYS 202          2HZ       LYS 202 -35.871  40.190  -4.423
  969   3HZ   LYS 202          3HZ       LYS 202 -36.196  40.578  -2.802
  970    H    ALA 203           H        ALA 203 -35.800  34.489  -2.538
  971    HA   ALA 203           HA       ALA 203 -33.652  34.224  -0.623
  972   1HB   ALA 203          1HB       ALA 203 -35.471  34.050   0.715
  973   2HB   ALA 203          2HB       ALA 203 -35.973  32.567  -0.097
  974   3HB   ALA 203          3HB       ALA 203 -36.476  34.133  -0.732
  975    HA   PRO 204           HA       PRO 204 -34.192  29.488  -1.608
  976   1HB   PRO 204          1HB       PRO 204 -35.055  29.589  -4.443
  977   2HB   PRO 204          2HB       PRO 204 -35.659  28.572  -3.124
  978   1HG   PRO 204          1HG       PRO 204 -37.064  30.633  -4.146
  979   2HG   PRO 204          2HG       PRO 204 -37.192  30.124  -2.458
  980   1HD   PRO 204          1HD       PRO 204 -35.811  32.481  -3.624
  981   2HD   PRO 204          2HD       PRO 204 -36.611  32.296  -2.051
  982    H    ARG 205           H        ARG 205 -31.886  30.233  -1.564
  983    HA   ARG 205           HA       ARG 205 -30.509  29.496  -4.053
  984   1HB   ARG 205          1HB       ARG 205 -29.359  31.707  -4.200
  985   2HB   ARG 205          2HB       ARG 205 -31.103  31.865  -4.407
  986   1HG   ARG 205          1HG       ARG 205 -31.401  32.787  -2.272
  987   2HG   ARG 205          2HG       ARG 205 -29.881  32.126  -1.668
  988   1HD   ARG 205          1HD       ARG 205 -29.188  33.795  -3.851
  989   2HD   ARG 205          2HD       ARG 205 -30.358  34.706  -2.877
  990    HE   ARG 205           HE       ARG 205 -28.372  33.307  -1.257
  991   1HH1  ARG 205          1HH1      ARG 205 -29.068  36.188  -3.083
  992   2HH1  ARG 205          2HH1      ARG 205 -27.938  37.154  -2.199
  993   1HH2  ARG 205          1HH2      ARG 205 -26.912  34.582  -0.124
  994   2HH2  ARG 205          2HH2      ARG 205 -26.725  36.253  -0.536
  995    H    LYS 206           H        LYS 206 -28.169  29.271  -3.692
  996    HA   LYS 206           HA       LYS 206 -26.351  28.534  -2.376
  997   1HB   LYS 206          1HB       LYS 206 -26.823  31.089  -1.873
  998   2HB   LYS 206          2HB       LYS 206 -27.321  30.481  -0.294
  999   1HG   LYS 206          1HG       LYS 206 -25.187  29.804   0.269
 1000   2HG   LYS 206          2HG       LYS 206 -24.736  29.480  -1.405
 1001   1HD   LYS 206          1HD       LYS 206 -23.513  31.421  -0.938
 1002   2HD   LYS 206          2HD       LYS 206 -24.968  32.075  -1.690
 1003   1HE   LYS 206          1HE       LYS 206 -25.224  33.331   0.189
 1004   2HE   LYS 206          2HE       LYS 206 -25.622  31.824   1.036
 1005   1HZ   LYS 206          1HZ       LYS 206 -23.754  32.656   2.158
 1006   2HZ   LYS 206          2HZ       LYS 206 -22.976  33.122   0.722
 1007   3HZ   LYS 206          3HZ       LYS 206 -23.114  31.476   1.118
 1008    H    GLN 207           H        GLN 207 -28.139  26.632  -2.110
 1009    HA   GLN 207           HA       GLN 207 -29.222  26.328   0.587
 1010   1HB   GLN 207          1HB       GLN 207 -29.079  24.820  -1.992
 1011   2HB   GLN 207          2HB       GLN 207 -29.405  23.882  -0.534
 1012   1HG   GLN 207          1HG       GLN 207 -30.944  26.409  -0.880
 1013   2HG   GLN 207          2HG       GLN 207 -31.365  25.068  -1.946
 1014   1HE2  GLN 207          1HE2      GLN 207 -33.465  25.082  -0.630
 1015   2HE2  GLN 207          2HE2      GLN 207 -33.488  24.239   0.843
 1016    H    LEU 208           H        LEU 208 -28.645  23.799   1.367
 1017    HA   LEU 208           HA       LEU 208 -25.845  24.006   2.246
 1018   1HB   LEU 208          1HB       LEU 208 -28.107  22.039   2.756
 1019   2HB   LEU 208          2HB       LEU 208 -26.555  21.998   3.592
 1020    HG   LEU 208           HG       LEU 208 -28.092  24.570   3.546
 1021   1HD1  LEU 208          1HD1      LEU 208 -29.605  23.937   5.189
 1022   2HD1  LEU 208          2HD1      LEU 208 -28.600  22.598   5.743
 1023   3HD1  LEU 208          3HD1      LEU 208 -29.523  22.448   4.247
 1024   1HD2  LEU 208          1HD2      LEU 208 -26.630  25.133   5.187
 1025   2HD2  LEU 208          2HD2      LEU 208 -25.709  23.724   4.658
 1026   3HD2  LEU 208          3HD2      LEU 208 -26.831  23.587   6.012
 1027    H    ALA 209           H        ALA 209 -24.363  22.128   2.022
 1028    HA   ALA 209           HA       ALA 209 -24.857  20.605  -0.517
 1029   1HB   ALA 209          1HB       ALA 209 -22.661  22.271   0.515
 1030   2HB   ALA 209          2HB       ALA 209 -23.016  21.798  -1.147
 1031   3HB   ALA 209          3HB       ALA 209 -22.114  20.709  -0.093
 1032    H    THR 210           H        THR 210 -24.173  18.398  -0.525
 1033    HA   THR 210           HA       THR 210 -24.480  16.904   1.861
 1034    HB   THR 210           HB       THR 210 -23.354  15.111   0.414
 1035    HG1  THR 210           HG1      THR 210 -22.024  16.577  -0.732
 1036   1HG2  THR 210          1HG2      THR 210 -25.517  16.756  -0.933
 1037   2HG2  THR 210          2HG2      THR 210 -25.807  15.619   0.383
 1038   3HG2  THR 210          3HG2      THR 210 -25.204  15.037  -1.168
 1039    H    LYS 211           H        LYS 211 -21.688  18.566   0.588
 1040    HA   LYS 211           HA       LYS 211 -19.475  18.747   1.397
 1041   1HB   LYS 211          1HB       LYS 211 -21.067  19.411   3.323
 1042   2HB   LYS 211          2HB       LYS 211 -20.724  17.817   3.996
 1043   1HG   LYS 211          1HG       LYS 211 -18.207  18.556   3.558
 1044   2HG   LYS 211          2HG       LYS 211 -18.904  20.172   3.669
 1045   1HD   LYS 211          1HD       LYS 211 -20.080  19.131   5.819
 1046   2HD   LYS 211          2HD       LYS 211 -18.690  18.047   5.765
 1047   1HE   LYS 211          1HE       LYS 211 -17.701  19.742   6.979
 1048   2HE   LYS 211          2HE       LYS 211 -17.456  20.453   5.372
 1049   1HZ   LYS 211          1HZ       LYS 211 -19.508  21.629   5.555
 1050   2HZ   LYS 211          2HZ       LYS 211 -18.634  21.938   6.978
 1051   3HZ   LYS 211          3HZ       LYS 211 -19.919  20.827   6.995
 1052    H    ALA 212           H        ALA 212 -18.973  16.728   0.098
 1053    HA   ALA 212           HA       ALA 212 -18.917  14.145   1.447
 1054   1HB   ALA 212          1HB       ALA 212 -17.744  15.305  -1.100
 1055   2HB   ALA 212          2HB       ALA 212 -19.156  14.259  -0.947
 1056   3HB   ALA 212          3HB       ALA 212 -17.543  13.611  -0.651
 1057    H    ALA 213           H        ALA 213 -16.546  13.017   1.195
 1058    HA   ALA 213           HA       ALA 213 -14.311  14.759   1.939
 1059   1HB   ALA 213          1HB       ALA 213 -16.138  13.601   3.894
 1060   2HB   ALA 213          2HB       ALA 213 -14.838  14.765   4.149
 1061   3HB   ALA 213          3HB       ALA 213 -14.489  13.036   4.159
 1062    H    ARG 214           H        ARG 214 -15.231  11.398   2.776
 1063    HA   ARG 214           HA       ARG 214 -13.366  10.294   0.784
 1064   1HB   ARG 214          1HB       ARG 214 -12.678  10.851   3.582
 1065   2HB   ARG 214          2HB       ARG 214 -12.404   9.165   3.143
 1066   1HG   ARG 214          1HG       ARG 214 -10.445   9.881   2.262
 1067   2HG   ARG 214          2HG       ARG 214 -11.422  10.547   0.954
 1068   1HD   ARG 214          1HD       ARG 214 -11.647  12.480   2.937
 1069   2HD   ARG 214          2HD       ARG 214  -9.958  11.953   3.068
 1070    HE   ARG 214           HE       ARG 214 -10.496  12.172   0.314
 1071   1HH1  ARG 214          1HH1      ARG 214 -10.481  14.251   3.107
 1072   2HH1  ARG 214          2HH1      ARG 214 -10.076  15.661   2.191
 1073   1HH2  ARG 214          1HH2      ARG 214  -9.971  14.017  -0.852
 1074   2HH2  ARG 214          2HH2      ARG 214  -9.789  15.532  -0.032
 1075   1HN   MLZ 215          1HN       MLZ 215 -13.073   7.760   1.655
 1076    HA   MLZ 215           HA       MLZ 215 -15.607   6.523   1.297
 1077   1HB   MLZ 215          1HB       MLZ 215 -12.983   5.604   2.523
 1078   2HB   MLZ 215          2HB       MLZ 215 -14.309   4.504   2.146
 1079   1HG   MLZ 215          1HG       MLZ 215 -12.491   5.991   0.299
 1080   2HG   MLZ 215          2HG       MLZ 215 -14.156   5.734  -0.223
 1081   1HD   MLZ 215          1HD       MLZ 215 -12.348   3.523   0.791
 1082   2HD   MLZ 215          2HD       MLZ 215 -13.936   3.338   0.048
 1083   1HE   MLZ 215          1HE       MLZ 215 -12.171   2.862  -1.612
 1084   2HE   MLZ 215          2HE       MLZ 215 -11.468   4.466  -1.331
 1085    HZ   MLZ 215           HZ       MLZ 215 -13.309   5.523  -2.214
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -12.759   3.002  -3.627
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -12.380   4.651  -4.109
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -14.034   4.060  -4.219
 1089    H    SER 216           H        SER 216 -17.232   6.062   2.737
 1090    HA   SER 216           HA       SER 216 -18.398   5.883   4.782
 1091   1HB   SER 216          1HB       SER 216 -16.400   7.881   5.835
 1092   2HB   SER 216          2HB       SER 216 -17.491   8.342   4.529
 1093    HG   SER 216           HG       SER 216 -19.232   7.801   5.848
 1094    H    ALA 217           H        ALA 217 -16.684   3.784   4.597
 1095    HA   ALA 217           HA       ALA 217 -15.570   2.186   5.933
 1096   1HB   ALA 217          1HB       ALA 217 -14.114   4.221   7.478
 1097   2HB   ALA 217          2HB       ALA 217 -14.089   4.532   5.742
 1098   3HB   ALA 217          3HB       ALA 217 -13.486   2.999   6.373
 1099    HA   PRO 218           HA       PRO 218 -17.415   1.741   9.883
 1100   1HB   PRO 218          1HB       PRO 218 -14.809   1.500  11.290
 1101   2HB   PRO 218          2HB       PRO 218 -16.125   0.321  11.160
 1102   1HG   PRO 218          1HG       PRO 218 -13.802   0.046   9.836
 1103   2HG   PRO 218          2HG       PRO 218 -15.344  -0.528   9.186
 1104   1HD   PRO 218          1HD       PRO 218 -13.741   1.861   8.429
 1105   2HD   PRO 218          2HD       PRO 218 -14.774   0.822   7.424
 1106    H    ALA 219           H        ALA 219 -17.323   2.651  12.256
 1107    HA   ALA 219           HA       ALA 219 -16.206   5.435  12.217
 1108   1HB   ALA 219          1HB       ALA 219 -18.889   4.480  13.286
 1109   2HB   ALA 219          2HB       ALA 219 -18.663   5.285  11.733
 1110   3HB   ALA 219          3HB       ALA 219 -18.328   6.151  13.232
 1111    H    THR 220           H        THR 220 -14.934   3.171  13.439
 1112    HA   THR 220           HA       THR 220 -15.537   2.726  16.168
 1113    HB   THR 220           HB       THR 220 -13.915   1.450  14.825
 1114    HG1  THR 220           HG1      THR 220 -12.523   2.797  16.885
 1115   1HG2  THR 220          1HG2      THR 220 -11.723   3.370  15.017
 1116   2HG2  THR 220          2HG2      THR 220 -13.049   3.975  14.024
 1117   3HG2  THR 220          3HG2      THR 220 -12.276   2.440  13.624
 1118    H    GLY 221           H        GLY 221 -14.063   3.559  18.014
 1119   1HA   GLY 221          1HA       GLY 221 -14.442   6.263  18.485
 1120   2HA   GLY 221          2HA       GLY 221 -13.200   5.318  19.294
 1121   1H    MET   1          1H        MET   1   2.572  -9.905   4.786
 1122   2H    MET   1          2H        MET   1   1.101  -9.171   5.213
 1123   3H    MET   1          3H        MET   1   1.101 -10.662   4.399
 1124    HA   MET   1           HA       MET   1   2.218 -10.245   7.125
 1125   1HB   MET   1          1HB       MET   1  -0.486 -10.731   6.000
 1126   2HB   MET   1          2HB       MET   1  -0.043 -11.768   7.354
 1127   1HG   MET   1          1HG       MET   1  -0.849  -9.982   8.551
 1128   2HG   MET   1          2HG       MET   1   0.810  -9.425   8.339
 1129   1HE   MET   1          1HE       MET   1  -0.950  -6.350   8.359
 1130   2HE   MET   1          2HE       MET   1   0.661  -6.414   7.642
 1131   3HE   MET   1          3HE       MET   1   0.245  -7.491   8.976
 1132    H    PHE   2           H        PHE   2   1.482 -12.775   8.012
 1133    HA   PHE   2           HA       PHE   2   3.558 -14.455   7.152
 1134   1HB   PHE   2          1HB       PHE   2   2.269 -16.193   8.342
 1135   2HB   PHE   2          2HB       PHE   2   2.177 -14.665   9.217
 1136    HD1  PHE   2           HD1      PHE   2   0.340 -17.072   7.122
 1137    HD2  PHE   2           HD2      PHE   2   0.109 -13.358   9.268
 1138    HE1  PHE   2           HE1      PHE   2  -2.133 -17.123   6.944
 1139    HE2  PHE   2           HE2      PHE   2  -2.365 -13.409   9.089
 1140    HZ   PHE   2           HZ       PHE   2  -3.486 -15.292   7.927
 1141    H    ASN   3           H        ASN   3   3.833 -15.777   5.392
 1142    HA   ASN   3           HA       ASN   3   1.474 -16.704   3.847
 1143   1HB   ASN   3          1HB       ASN   3   2.101 -14.482   2.944
 1144   2HB   ASN   3          2HB       ASN   3   3.757 -15.043   2.712
 1145   1HD2  ASN   3          1HD2      ASN   3   4.090 -15.517   0.536
 1146   2HD2  ASN   3          2HD2      ASN   3   2.961 -16.270  -0.484
 1147    H    ASP   4           H        ASP   4   2.122 -18.399   2.261
 1148    HA   ASP   4           HA       ASP   4   4.079 -20.226   3.332
 1149   1HB   ASP   4          1HB       ASP   4   2.668 -20.095   0.640
 1150   2HB   ASP   4          2HB       ASP   4   3.443 -21.528   1.316
 1151    H    ARG   5           H        ARG   5   5.728 -18.213   3.143
 1152    HA   ARG   5           HA       ARG   5   7.827 -18.938   1.376
 1153   1HB   ARG   5          1HB       ARG   5   5.667 -17.426   0.188
 1154   2HB   ARG   5          2HB       ARG   5   7.128 -16.439   0.187
 1155   1HG   ARG   5          1HG       ARG   5   8.215 -18.744  -0.636
 1156   2HG   ARG   5          2HG       ARG   5   6.574 -19.013  -1.220
 1157   1HD   ARG   5          1HD       ARG   5   8.232 -16.535  -1.821
 1158   2HD   ARG   5          2HD       ARG   5   7.989 -17.889  -2.941
 1159    HE   ARG   5           HE       ARG   5   5.444 -17.025  -1.951
 1160   1HH1  ARG   5          1HH1      ARG   5   8.033 -15.997  -4.040
 1161   2HH1  ARG   5          2HH1      ARG   5   6.994 -15.042  -5.040
 1162   1HH2  ARG   5          1HH2      ARG   5   4.116 -15.780  -3.264
 1163   2HH2  ARG   5          2HH2      ARG   5   4.792 -14.919  -4.606
 1164    H    VAL   6           H        VAL   6   6.156 -16.316   3.048
 1165    HA   VAL   6           HA       VAL   6   8.640 -15.577   4.457
 1166    HB   VAL   6           HB       VAL   6   8.332 -13.166   3.705
 1167   1HG1  VAL   6          1HG1      VAL   6   8.785 -14.907   1.296
 1168   2HG1  VAL   6          2HG1      VAL   6   9.901 -14.979   2.660
 1169   3HG1  VAL   6          3HG1      VAL   6   9.657 -13.459   1.801
 1170   1HG2  VAL   6          1HG2      VAL   6   7.015 -12.797   1.647
 1171   2HG2  VAL   6          2HG2      VAL   6   5.990 -13.372   2.962
 1172   3HG2  VAL   6          3HG2      VAL   6   6.489 -14.480   1.684
 1173    H    ILE   7           H        ILE   7   7.895 -13.336   5.733
 1174    HA   ILE   7           HA       ILE   7   5.075 -13.397   6.549
 1175    HB   ILE   7           HB       ILE   7   6.007 -15.317   7.760
 1176   1HG1  ILE   7          1HG1      ILE   7   5.760 -12.925   9.611
 1177   2HG1  ILE   7          2HG1      ILE   7   4.398 -13.828   8.949
 1178   1HG2  ILE   7          1HG2      ILE   7   8.103 -15.341   8.611
 1179   2HG2  ILE   7          2HG2      ILE   7   7.872 -13.792   9.422
 1180   3HG2  ILE   7          3HG2      ILE   7   8.354 -13.837   7.726
 1181   1HD1  ILE   7          1HD1      ILE   7   5.979 -14.440  11.261
 1182   2HD1  ILE   7          2HD1      ILE   7   6.215 -15.719  10.069
 1183   3HD1  ILE   7          3HD1      ILE   7   4.589 -15.320  10.624
 1184    H    VAL   8           H        VAL   8   4.671 -11.672   8.223
 1185    HA   VAL   8           HA       VAL   8   6.445  -9.369   7.717
 1186    HB   VAL   8           HB       VAL   8   3.992  -9.184   7.554
 1187   1HG1  VAL   8          1HG1      VAL   8   2.629 -10.163   9.055
 1188   2HG1  VAL   8          2HG1      VAL   8   3.381  -9.276  10.381
 1189   3HG1  VAL   8          3HG1      VAL   8   4.060 -10.815   9.853
 1190   1HG2  VAL   8          1HG2      VAL   8   5.436  -7.679   9.729
 1191   2HG2  VAL   8          2HG2      VAL   8   3.731  -7.355   9.411
 1192   3HG2  VAL   8          3HG2      VAL   8   4.926  -7.112   8.138
 1193    H    LYS   9           H        LYS   9   8.083  -8.917   9.078
 1194    HA   LYS   9           HA       LYS   9   7.700  -9.251  11.989
 1195   1HB   LYS   9          1HB       LYS   9   9.830 -10.571  10.296
 1196   2HB   LYS   9          2HB       LYS   9   9.951 -10.437  12.051
 1197   1HG   LYS   9          1HG       LYS   9   7.638 -11.530  12.146
 1198   2HG   LYS   9          2HG       LYS   9   7.861 -11.914  10.441
 1199   1HD   LYS   9          1HD       LYS   9   9.366 -13.556  10.891
 1200   2HD   LYS   9          2HD       LYS   9  10.170 -12.601  12.137
 1201   1HE   LYS   9          1HE       LYS   9   8.226 -13.094  13.671
 1202   2HE   LYS   9          2HE       LYS   9   7.604 -14.201  12.432
 1203   1HZ   LYS   9          1HZ       LYS   9  10.160 -14.342  13.922
 1204   2HZ   LYS   9          2HZ       LYS   9   9.962 -15.149  12.440
 1205   3HZ   LYS   9          3HZ       LYS   9   8.967 -15.540  13.760
 1206    H    LYS  10           H        LYS  10   9.749  -6.301  12.156
 1207    HA   LYS  10           HA       LYS  10   8.514  -6.539  14.115
 1208   1HB   LYS  10          1HB       LYS  10   6.857  -7.042  11.882
 1209   2HB   LYS  10          2HB       LYS  10   6.435  -8.266  13.081
 1210   1HG   LYS  10          1HG       LYS  10   6.608  -5.287  13.634
 1211   2HG   LYS  10          2HG       LYS  10   5.109  -6.176  13.363
 1212   1HD   LYS  10          1HD       LYS  10   5.127  -7.066  15.453
 1213   2HD   LYS  10          2HD       LYS  10   6.860  -7.389  15.395
 1214   1HE   LYS  10          1HE       LYS  10   7.365  -5.434  16.461
 1215   2HE   LYS  10          2HE       LYS  10   6.172  -4.516  15.522
 1216   1HZ   LYS  10          1HZ       LYS  10   5.334  -4.635  17.721
 1217   2HZ   LYS  10          2HZ       LYS  10   5.686  -6.291  17.854
 1218   3HZ   LYS  10          3HZ       LYS  10   4.439  -5.768  16.827
 1219    H    SER  11           H        SER  11  10.644  -8.334  13.768
 1220    HA   SER  11           HA       SER  11   9.685 -11.010  14.606
 1221   1HB   SER  11          1HB       SER  11  11.798 -11.679  13.895
 1222   2HB   SER  11          2HB       SER  11  11.647 -10.194  12.960
 1223    HG   SER  11           HG       SER  11  13.555  -9.995  13.972
 1224    HA   PRO  12           HA       PRO  12  10.747 -10.928  18.888
 1225   1HB   PRO  12          1HB       PRO  12  13.548 -11.898  18.524
 1226   2HB   PRO  12          2HB       PRO  12  12.255 -12.555  19.542
 1227   1HG   PRO  12          1HG       PRO  12  13.009 -13.723  17.246
 1228   2HG   PRO  12          2HG       PRO  12  11.339 -13.760  17.824
 1229   1HD   PRO  12          1HD       PRO  12  12.537 -12.206  15.605
 1230   2HD   PRO  12          2HD       PRO  12  10.876 -12.800  15.805
 1231    H    LEU  13           H        LEU  13  10.907  -8.775  19.477
 1232    HA   LEU  13           HA       LEU  13  11.894  -6.682  19.951
 1233   1HB   LEU  13          1HB       LEU  13  13.986  -8.811  20.284
 1234   2HB   LEU  13          2HB       LEU  13  14.484  -7.125  20.429
 1235    HG   LEU  13           HG       LEU  13  13.843  -8.072  22.627
 1236   1HD1  LEU  13          1HD1      LEU  13  12.831  -6.127  23.294
 1237   2HD1  LEU  13          2HD1      LEU  13  11.584  -6.230  22.051
 1238   3HD1  LEU  13          3HD1      LEU  13  13.194  -5.637  21.639
 1239   1HD2  LEU  13          1HD2      LEU  13  12.165  -9.689  21.686
 1240   2HD2  LEU  13          2HD2      LEU  13  11.076  -8.329  21.414
 1241   3HD2  LEU  13          3HD2      LEU  13  11.554  -8.760  23.056
 1242    H    GLY  14           H        GLY  14  11.471  -6.832  17.265
 1243   1HA   GLY  14          1HA       GLY  14  13.943  -5.582  16.167
 1244   2HA   GLY  14          2HA       GLY  14  13.135  -6.842  15.235
 1245    H    GLY  15           H        GLY  15  13.425  -4.300  14.150
 1246   1HA   GLY  15          1HA       GLY  15  11.038  -2.692  14.611
 1247   2HA   GLY  15          2HA       GLY  15  12.216  -2.451  13.320
 1248    H    TYR  16           H        TYR  16  10.186  -2.127  11.984
 1249    HA   TYR  16           HA       TYR  16   8.698  -4.626  11.389
 1250   1HB   TYR  16          1HB       TYR  16   8.372  -1.694  11.059
 1251   2HB   TYR  16          2HB       TYR  16   7.693  -2.674   9.760
 1252    HD1  TYR  16           HD1      TYR  16   5.888  -4.270  10.185
 1253    HD2  TYR  16           HD2      TYR  16   7.506  -1.842  13.338
 1254    HE1  TYR  16           HE1      TYR  16   3.946  -4.838  11.619
 1255    HE2  TYR  16           HE2      TYR  16   5.564  -2.410  14.772
 1256    HH   TYR  16           HH       TYR  16   2.908  -3.268  14.011
 1257    H    GLY  17           H        GLY  17  10.069  -5.894  10.120
 1258   1HA   GLY  17          1HA       GLY  17  10.802  -4.745   7.465
 1259   2HA   GLY  17          2HA       GLY  17  11.978  -5.708   8.363
 1260    H    VAL  18           H        VAL  18  11.863  -7.218   6.455
 1261    HA   VAL  18           HA       VAL  18   9.365  -8.878   6.509
 1262    HB   VAL  18           HB       VAL  18  11.498  -8.399   4.400
 1263   1HG1  VAL  18          1HG1      VAL  18   8.961 -10.028   4.108
 1264   2HG1  VAL  18          2HG1      VAL  18  10.527 -10.760   4.461
 1265   3HG1  VAL  18          3HG1      VAL  18  10.284  -9.881   2.952
 1266   1HG2  VAL  18          1HG2      VAL  18   9.467  -7.494   3.165
 1267   2HG2  VAL  18          2HG2      VAL  18  10.005  -6.536   4.544
 1268   3HG2  VAL  18          3HG2      VAL  18   8.600  -7.590   4.698
 1269    H    PHE  19           H        PHE  19   9.562 -11.058   6.999
 1270    HA   PHE  19           HA       PHE  19  12.296 -12.026   7.736
 1271   1HB   PHE  19          1HB       PHE  19   9.711 -12.083   8.941
 1272   2HB   PHE  19          2HB       PHE  19  10.123 -13.748   8.530
 1273    HD1  PHE  19           HD1      PHE  19  11.330 -14.962  10.101
 1274    HD2  PHE  19           HD2      PHE  19  11.789 -10.694   9.955
 1275    HE1  PHE  19           HE1      PHE  19  12.867 -15.062  12.045
 1276    HE2  PHE  19           HE2      PHE  19  13.327 -10.794  11.899
 1277    HZ   PHE  19           HZ       PHE  19  13.865 -12.977  12.945
 1278    H    ALA  20           H        ALA  20  13.114 -13.877   6.733
 1279    HA   ALA  20           HA       ALA  20  11.559 -14.880   4.392
 1280   1HB   ALA  20          1HB       ALA  20  13.853 -15.650   3.689
 1281   2HB   ALA  20          2HB       ALA  20  14.493 -14.963   5.183
 1282   3HB   ALA  20          3HB       ALA  20  13.764 -13.912   3.970
 1283    H    ARG  21           H        ARG  21  10.249 -16.459   5.521
 1284    HA   ARG  21           HA       ARG  21  11.240 -18.435   7.336
 1285   1HB   ARG  21          1HB       ARG  21   8.840 -17.702   6.034
 1286   2HB   ARG  21          2HB       ARG  21   9.131 -19.377   5.565
 1287   1HG   ARG  21          1HG       ARG  21   8.954 -20.159   7.734
 1288   2HG   ARG  21          2HG       ARG  21   9.515 -18.643   8.438
 1289   1HD   ARG  21          1HD       ARG  21   7.385 -17.881   8.656
 1290   2HD   ARG  21          2HD       ARG  21   7.004 -18.298   6.974
 1291    HE   ARG  21           HE       ARG  21   7.181 -20.753   8.283
 1292   1HH1  ARG  21          1HH1      ARG  21   5.342 -17.826   8.701
 1293   2HH1  ARG  21          2HH1      ARG  21   3.988 -18.647   9.395
 1294   1HH2  ARG  21          1HH2      ARG  21   5.410 -21.795   9.187
 1295   2HH2  ARG  21          2HH2      ARG  21   4.023 -20.876   9.670
 1296    H    LYS  22           H        LYS  22  11.400 -18.119   3.861
 1297    HA   LYS  22           HA       LYS  22  12.360 -20.905   3.499
 1298   1HB   LYS  22          1HB       LYS  22  11.177 -18.712   1.935
 1299   2HB   LYS  22          2HB       LYS  22  12.482 -19.532   1.089
 1300   1HG   LYS  22          1HG       LYS  22  11.400 -21.651   1.268
 1301   2HG   LYS  22          2HG       LYS  22  10.246 -21.036   2.450
 1302   1HD   LYS  22          1HD       LYS  22   8.959 -20.966   0.521
 1303   2HD   LYS  22          2HD       LYS  22   9.649 -19.345   0.511
 1304   1HE   LYS  22          1HE       LYS  22  10.025 -20.156  -1.699
 1305   2HE   LYS  22          2HE       LYS  22  11.578 -20.417  -0.883
 1306   1HZ   LYS  22          1HZ       LYS  22  10.884 -22.452  -1.961
 1307   2HZ   LYS  22          2HZ       LYS  22   9.375 -22.397  -1.185
 1308   3HZ   LYS  22          3HZ       LYS  22  10.787 -22.657  -0.279
 1309    H    SER  23           H        SER  23  15.691 -19.817   2.264
 1310    HA   SER  23           HA       SER  23  13.286 -21.502   1.662
 1311   1HB   SER  23          1HB       SER  23  15.897 -22.356   0.648
 1312   2HB   SER  23          2HB       SER  23  15.908 -22.104   2.394
 1313    HG   SER  23           HG       SER  23  14.774 -24.081   0.954
 1314    H    PHE  24           H        PHE  24  15.465 -19.135   0.375
 1315    HA   PHE  24           HA       PHE  24  14.255 -19.538  -2.338
 1316   1HB   PHE  24          1HB       PHE  24  15.167 -17.110  -0.765
 1317   2HB   PHE  24          2HB       PHE  24  14.745 -17.026  -2.472
 1318    HD1  PHE  24           HD1      PHE  24  13.490 -16.510   0.718
 1319    HD2  PHE  24           HD2      PHE  24  12.423 -18.379  -2.999
 1320    HE1  PHE  24           HE1      PHE  24  11.092 -16.341   1.322
 1321    HE2  PHE  24           HE2      PHE  24  10.024 -18.210  -2.394
 1322    HZ   PHE  24           HZ       PHE  24   9.360 -17.190  -0.233
 1323    H    GLU  25           H        GLU  25  15.644 -18.916  -4.156
 1324    HA   GLU  25           HA       GLU  25  18.510 -19.551  -3.616
 1325   1HB   GLU  25          1HB       GLU  25  16.699 -20.666  -5.301
 1326   2HB   GLU  25          2HB       GLU  25  17.363 -19.425  -6.365
 1327   1HG   GLU  25          1HG       GLU  25  19.671 -20.317  -5.451
 1328   2HG   GLU  25          2HG       GLU  25  18.737 -21.767  -5.088
 1329    H    LYS  26           H        LYS  26  20.026 -18.373  -5.251
 1330    HA   LYS  26           HA       LYS  26  19.718 -15.517  -4.883
 1331   1HB   LYS  26          1HB       LYS  26  21.876 -16.671  -4.896
 1332   2HB   LYS  26          2HB       LYS  26  21.596 -17.219  -6.544
 1333   1HG   LYS  26          1HG       LYS  26  21.662 -14.957  -7.387
 1334   2HG   LYS  26          2HG       LYS  26  21.694 -14.297  -5.752
 1335   1HD   LYS  26          1HD       LYS  26  23.888 -15.282  -5.352
 1336   2HD   LYS  26          2HD       LYS  26  23.845 -16.089  -6.920
 1337   1HE   LYS  26          1HE       LYS  26  23.396 -13.167  -7.044
 1338   2HE   LYS  26          2HE       LYS  26  25.017 -13.650  -6.509
 1339   1HZ   LYS  26          1HZ       LYS  26  23.640 -14.880  -8.836
 1340   2HZ   LYS  26          2HZ       LYS  26  25.275 -15.027  -8.400
 1341   3HZ   LYS  26          3HZ       LYS  26  24.684 -13.549  -8.992
 1342    H    GLY  27           H        GLY  27  17.592 -15.270  -6.024
 1343   1HA   GLY  27          1HA       GLY  27  17.345 -13.877  -8.216
 1344   2HA   GLY  27          2HA       GLY  27  17.835 -15.381  -8.994
 1345    H    GLU  28           H        GLU  28  15.679 -14.977  -6.185
 1346    HA   GLU  28           HA       GLU  28  13.500 -16.211  -7.840
 1347   1HB   GLU  28          1HB       GLU  28  14.441 -16.589  -4.997
 1348   2HB   GLU  28          2HB       GLU  28  12.787 -17.002  -5.446
 1349   1HG   GLU  28          1HG       GLU  28  13.961 -18.266  -7.440
 1350   2HG   GLU  28          2HG       GLU  28  15.363 -18.233  -6.371
 1351    H    LEU  29           H        LEU  29  11.311 -15.525  -7.247
 1352    HA   LEU  29           HA       LEU  29  11.223 -12.682  -6.418
 1353   1HB   LEU  29          1HB       LEU  29  10.113 -13.816  -8.475
 1354   2HB   LEU  29          2HB       LEU  29   8.949 -14.468  -7.323
 1355    HG   LEU  29           HG       LEU  29   8.179 -12.341  -8.376
 1356   1HD1  LEU  29          1HD1      LEU  29   8.728 -11.719  -5.494
 1357   2HD1  LEU  29          2HD1      LEU  29   7.745 -13.126  -5.898
 1358   3HD1  LEU  29          3HD1      LEU  29   7.237 -11.518  -6.414
 1359   1HD2  LEU  29          1HD2      LEU  29  10.041 -10.718  -6.750
 1360   2HD2  LEU  29          2HD2      LEU  29   9.414 -10.426  -8.373
 1361   3HD2  LEU  29          3HD2      LEU  29  10.771 -11.527  -8.136
 1362    H    VAL  30           H        VAL  30  10.587 -12.113  -4.377
 1363    HA   VAL  30           HA       VAL  30   9.596 -14.230  -2.550
 1364    HB   VAL  30           HB       VAL  30  10.488 -11.349  -2.150
 1365   1HG1  VAL  30          1HG1      VAL  30  10.128 -13.530  -0.080
 1366   2HG1  VAL  30          2HG1      VAL  30   8.913 -12.293  -0.404
 1367   3HG1  VAL  30          3HG1      VAL  30  10.501 -11.831   0.210
 1368   1HG2  VAL  30          1HG2      VAL  30  11.947 -13.733  -2.679
 1369   2HG2  VAL  30          2HG2      VAL  30  12.198 -13.338  -0.979
 1370   3HG2  VAL  30          3HG2      VAL  30  12.589 -12.154  -2.226
 1371    H    GLU  31           H        GLU  31   8.657 -10.952  -3.651
 1372    HA   GLU  31           HA       GLU  31   5.829 -11.617  -3.557
 1373   1HB   GLU  31          1HB       GLU  31   6.617 -11.380  -1.126
 1374   2HB   GLU  31          2HB       GLU  31   6.869  -9.670  -1.476
 1375   1HG   GLU  31          1HG       GLU  31   4.679  -9.721  -0.610
 1376   2HG   GLU  31          2HG       GLU  31   4.419  -9.722  -2.354
 1377    H    GLU  32           H        GLU  32   4.542  -9.902  -4.432
 1378    HA   GLU  32           HA       GLU  32   5.935  -7.381  -5.191
 1379   1HB   GLU  32          1HB       GLU  32   5.192  -7.754  -7.549
 1380   2HB   GLU  32          2HB       GLU  32   6.302  -9.012  -7.004
 1381   1HG   GLU  32          1HG       GLU  32   4.189 -10.329  -6.331
 1382   2HG   GLU  32          2HG       GLU  32   3.302  -9.170  -7.321
 1383    H    CYS  33           H        CYS  33   4.444  -5.647  -5.560
 1384    HA   CYS  33           HA       CYS  33   1.540  -6.256  -5.307
 1385   1HB   CYS  33          1HB       CYS  33   3.287  -5.394  -3.216
 1386   2HB   CYS  33          2HB       CYS  33   2.226  -4.040  -3.607
 1387    HG   CYS  33           HG       CYS  33   0.320  -6.165  -3.424
 1388    H    LEU  34           H        LEU  34   0.799  -3.536  -4.852
 1389    HA   LEU  34           HA       LEU  34   1.394  -2.409  -7.544
 1390   1HB   LEU  34          1HB       LEU  34  -0.833  -2.531  -5.644
 1391   2HB   LEU  34          2HB       LEU  34  -0.585  -0.906  -6.280
 1392    HG   LEU  34           HG       LEU  34  -2.126  -2.212  -7.712
 1393   1HD1  LEU  34          1HD1      LEU  34  -1.179  -1.520  -9.738
 1394   2HD1  LEU  34          2HD1      LEU  34   0.454  -1.958  -9.236
 1395   3HD1  LEU  34          3HD1      LEU  34  -0.320  -0.521  -8.566
 1396   1HD2  LEU  34          1HD2      LEU  34   0.119  -3.953  -8.622
 1397   2HD2  LEU  34          2HD2      LEU  34  -1.613  -4.284  -8.581
 1398   3HD2  LEU  34          3HD2      LEU  34  -0.662  -4.372  -7.098
 1399    H    CYS  35           H        CYS  35   1.332   0.131  -7.488
 1400    HA   CYS  35           HA       CYS  35   2.600   1.288  -5.072
 1401   1HB   CYS  35          1HB       CYS  35   3.900   0.718  -7.717
 1402   2HB   CYS  35          2HB       CYS  35   4.367   2.190  -6.866
 1403    HG   CYS  35           HG       CYS  35   5.138   0.727  -4.842
 1404    H    ILE  36           H        ILE  36   2.549   3.647  -5.136
 1405    HA   ILE  36           HA       ILE  36   0.447   4.684  -6.968
 1406    HB   ILE  36           HB       ILE  36   1.849   5.964  -4.594
 1407   1HG1  ILE  36          1HG1      ILE  36  -0.848   4.586  -4.616
 1408   2HG1  ILE  36          2HG1      ILE  36   0.633   3.771  -4.113
 1409   1HG2  ILE  36          1HG2      ILE  36   0.767   7.690  -5.753
 1410   2HG2  ILE  36          2HG2      ILE  36  -0.464   7.182  -4.597
 1411   3HG2  ILE  36          3HG2      ILE  36  -0.552   6.641  -6.274
 1412   1HD1  ILE  36          1HD1      ILE  36   0.855   5.061  -2.200
 1413   2HD1  ILE  36          2HD1      ILE  36  -0.903   5.029  -2.342
 1414   3HD1  ILE  36          3HD1      ILE  36   0.001   6.436  -2.902
 1415    H    VAL  37           H        VAL  37   0.852   6.875  -7.959
 1416    HA   VAL  37           HA       VAL  37   3.736   7.492  -8.404
 1417    HB   VAL  37           HB       VAL  37   1.657   6.962 -10.561
 1418   1HG1  VAL  37          1HG1      VAL  37   3.096   8.435 -11.610
 1419   2HG1  VAL  37          2HG1      VAL  37   3.985   6.935 -11.871
 1420   3HG1  VAL  37          3HG1      VAL  37   4.452   8.020 -10.562
 1421   1HG2  VAL  37          1HG2      VAL  37   3.924   5.329  -9.422
 1422   2HG2  VAL  37          2HG2      VAL  37   3.337   5.056 -11.062
 1423   3HG2  VAL  37          3HG2      VAL  37   2.249   4.845  -9.690
 1424    H    ARG  38           H        ARG  38   3.685   9.597  -7.633
 1425    HA   ARG  38           HA       ARG  38   1.537  11.395  -8.687
 1426   1HB   ARG  38          1HB       ARG  38   2.918  11.008  -6.109
 1427   2HB   ARG  38          2HB       ARG  38   2.757  12.697  -6.583
 1428   1HG   ARG  38          1HG       ARG  38   0.505  10.671  -6.414
 1429   2HG   ARG  38          2HG       ARG  38   0.796  11.989  -5.280
 1430   1HD   ARG  38          1HD       ARG  38  -0.306  13.443  -6.627
 1431   2HD   ARG  38          2HD       ARG  38   0.709  12.997  -8.007
 1432    HE   ARG  38           HE       ARG  38  -1.235  10.931  -7.334
 1433   1HH1  ARG  38          1HH1      ARG  38  -0.725  13.924  -9.038
 1434   2HH1  ARG  38          2HH1      ARG  38  -2.003  13.628 -10.164
 1435   1HH2  ARG  38          1HH2      ARG  38  -2.890  10.571  -8.808
 1436   2HH2  ARG  38          2HH2      ARG  38  -3.221  11.745 -10.037
 1437    H    HIS  39           H        HIS  39   2.806  13.837  -8.153
 1438    HA   HIS  39           HA       HIS  39   5.250  13.721  -9.889
 1439   1HB   HIS  39          1HB       HIS  39   2.814  15.527  -9.926
 1440   2HB   HIS  39          2HB       HIS  39   4.299  15.931 -10.789
 1441    HD1  HIS  39           HD1      HIS  39   1.208  14.045 -11.143
 1442    HD2  HIS  39           HD2      HIS  39   5.058  13.768 -12.719
 1443    HE1  HIS  39           HE1      HIS  39   1.042  12.550 -13.180
 1444    H    ASN  40           H        ASN  40   5.949  13.746  -7.356
 1445    HA   ASN  40           HA       ASN  40   7.012  14.982  -5.644
 1446   1HB   ASN  40          1HB       ASN  40   7.189  16.959  -7.950
 1447   2HB   ASN  40          2HB       ASN  40   8.264  16.897  -6.553
 1448   1HD2  ASN  40          1HD2      ASN  40   9.522  14.775  -6.293
 1449   2HD2  ASN  40          2HD2      ASN  40   9.988  13.953  -7.704
 1450    H    ASP  41           H        ASP  41   7.020  17.948  -5.535
 1451    HA   ASP  41           HA       ASP  41   5.736  19.680  -4.590
 1452   1HB   ASP  41          1HB       ASP  41   3.447  18.230  -5.971
 1453   2HB   ASP  41          2HB       ASP  41   3.504  19.933  -5.528
 1454    H    ASP  42           H        ASP  42   2.825  19.175  -3.818
 1455    HA   ASP  42           HA       ASP  42   3.057  18.634  -1.113
 1456   1HB   ASP  42          1HB       ASP  42   0.893  18.103  -3.157
 1457   2HB   ASP  42          2HB       ASP  42   0.615  17.799  -1.442
 1458    H    TRP  43           H        TRP  43   3.007  16.272  -3.732
 1459    HA   TRP  43           HA       TRP  43   2.480  13.924  -2.169
 1460   1HB   TRP  43          1HB       TRP  43   2.329  14.039  -4.614
 1461   2HB   TRP  43          2HB       TRP  43   4.044  14.423  -4.726
 1462    HD1  TRP  43           HD1      TRP  43   5.530  12.454  -5.229
 1463    HE1  TRP  43           HE1      TRP  43   5.389   9.899  -4.922
 1464    HE3  TRP  43           HE3      TRP  43   1.058  12.106  -2.792
 1465    HZ2  TRP  43           HZ2      TRP  43   3.613   7.965  -3.796
 1466    HZ3  TRP  43           HZ3      TRP  43   0.168   9.896  -2.112
 1467    HH2  TRP  43           HH2      TRP  43   1.438   7.826  -2.609
 1468    H    GLY  44           H        GLY  44   5.540  15.499  -3.147
 1469   1HA   GLY  44          1HA       GLY  44   7.268  13.578  -1.910
 1470   2HA   GLY  44          2HA       GLY  44   7.721  15.231  -2.324
 1471    H    THR  45           H        THR  45   5.793  16.588  -0.724
 1472    HA   THR  45           HA       THR  45   7.135  16.624   1.819
 1473    HB   THR  45           HB       THR  45   4.444  17.699   0.893
 1474    HG1  THR  45           HG1      THR  45   5.579  19.201  -0.015
 1475   1HG2  THR  45          1HG2      THR  45   5.510  17.587   3.488
 1476   2HG2  THR  45          2HG2      THR  45   4.184  18.612   2.940
 1477   3HG2  THR  45          3HG2      THR  45   5.836  19.229   2.934
 1478    H    ALA  46           H        ALA  46   3.682  15.863   1.209
 1479    HA   ALA  46           HA       ALA  46   3.135  14.681   3.707
 1480   1HB   ALA  46          1HB       ALA  46   1.529  15.343   1.887
 1481   2HB   ALA  46          2HB       ALA  46   1.209  13.732   2.528
 1482   3HB   ALA  46          3HB       ALA  46   2.031  13.916   0.979
 1483    H    LEU  47           H        LEU  47   3.856  12.911   0.661
 1484    HA   LEU  47           HA       LEU  47   4.464  10.480   2.238
 1485   1HB   LEU  47          1HB       LEU  47   4.345  11.119  -0.734
 1486   2HB   LEU  47          2HB       LEU  47   4.662   9.512  -0.090
 1487    HG   LEU  47           HG       LEU  47   2.336   9.536  -0.571
 1488   1HD1  LEU  47          1HD1      LEU  47   1.999  10.330   2.267
 1489   2HD1  LEU  47          2HD1      LEU  47   3.178   9.056   1.961
 1490   3HD1  LEU  47          3HD1      LEU  47   1.506   8.850   1.443
 1491   1HD2  LEU  47          1HD2      LEU  47   1.725  11.952   1.057
 1492   2HD2  LEU  47          2HD2      LEU  47   0.948  11.352  -0.409
 1493   3HD2  LEU  47          3HD2      LEU  47   2.482  12.213  -0.515
 1494    H    GLU  48           H        GLU  48   6.342  12.415   2.845
 1495    HA   GLU  48           HA       GLU  48   8.655  12.313   1.082
 1496   1HB   GLU  48          1HB       GLU  48   9.702  13.495   3.015
 1497   2HB   GLU  48          2HB       GLU  48   8.138  14.192   2.592
 1498   1HG   GLU  48          1HG       GLU  48   7.563  13.894   4.757
 1499   2HG   GLU  48          2HG       GLU  48   7.499  12.168   4.400
 1500    H    ASP  49           H        ASP  49   7.335   9.937   3.032
 1501    HA   ASP  49           HA       ASP  49  10.016   8.665   3.421
 1502   1HB   ASP  49          1HB       ASP  49   9.080   7.762   5.539
 1503   2HB   ASP  49          2HB       ASP  49   9.035   9.525   5.535
 1504    H    TYR  50           H        TYR  50   9.939   6.305   3.273
 1505    HA   TYR  50           HA       TYR  50   9.230   4.301   2.234
 1506   1HB   TYR  50          1HB       TYR  50   6.498   5.455   2.918
 1507   2HB   TYR  50          2HB       TYR  50   6.897   3.752   2.715
 1508    HD1  TYR  50           HD1      TYR  50   9.136   3.103   4.214
 1509    HD2  TYR  50           HD2      TYR  50   6.222   6.126   5.122
 1510    HE1  TYR  50           HE1      TYR  50   9.746   2.971   6.614
 1511    HE2  TYR  50           HE2      TYR  50   6.832   5.993   7.521
 1512    HH   TYR  50           HH       TYR  50   8.844   3.480   8.769
 1513    H    LEU  51           H        LEU  51   9.336   6.954   0.690
 1514    HA   LEU  51           HA       LEU  51   7.470   6.215  -1.538
 1515   1HB   LEU  51          1HB       LEU  51   7.306   8.435  -0.193
 1516   2HB   LEU  51          2HB       LEU  51   8.775   8.903  -1.049
 1517    HG   LEU  51           HG       LEU  51   7.449   8.174  -3.187
 1518   1HD1  LEU  51          1HD1      LEU  51   4.969   9.119  -2.092
 1519   2HD1  LEU  51          2HD1      LEU  51   5.517   7.736  -1.146
 1520   3HD1  LEU  51          3HD1      LEU  51   5.299   7.581  -2.889
 1521   1HD2  LEU  51          1HD2      LEU  51   7.578  10.648  -1.658
 1522   2HD2  LEU  51          2HD2      LEU  51   6.115  10.573  -2.641
 1523   3HD2  LEU  51          3HD2      LEU  51   7.699  10.407  -3.400
 1524    H    PHE  52           H        PHE  52   8.495   5.440  -3.330
 1525    HA   PHE  52           HA       PHE  52  11.418   5.812  -3.653
 1526   1HB   PHE  52          1HB       PHE  52   9.256   4.216  -5.072
 1527   2HB   PHE  52          2HB       PHE  52  10.946   4.200  -5.574
 1528    HD1  PHE  52           HD1      PHE  52  12.449   2.703  -4.569
 1529    HD2  PHE  52           HD2      PHE  52   8.775   3.673  -2.566
 1530    HE1  PHE  52           HE1      PHE  52  12.947   1.004  -2.834
 1531    HE2  PHE  52           HE2      PHE  52   9.274   1.974  -0.830
 1532    HZ   PHE  52           HZ       PHE  52  11.359   0.639  -0.964
 1533    H    SER  53           H        SER  53  12.097   7.599  -4.788
 1534    HA   SER  53           HA       SER  53  10.193   8.946  -6.622
 1535   1HB   SER  53          1HB       SER  53  12.756   9.607  -5.194
 1536   2HB   SER  53          2HB       SER  53  12.233  10.614  -6.541
 1537    HG   SER  53           HG       SER  53  10.539   9.935  -4.384
 1538    H    ARG  54           H        ARG  54  10.500   9.052  -8.819
 1539    HA   ARG  54           HA       ARG  54  12.844   7.571  -9.950
 1540   1HB   ARG  54          1HB       ARG  54  10.173   7.169 -10.237
 1541   2HB   ARG  54          2HB       ARG  54  10.446   8.296 -11.565
 1542   1HG   ARG  54          1HG       ARG  54  12.247   6.839 -12.426
 1543   2HG   ARG  54          2HG       ARG  54  11.956   5.706 -11.105
 1544   1HD   ARG  54          1HD       ARG  54  10.490   4.714 -12.558
 1545   2HD   ARG  54          2HD       ARG  54   9.420   6.073 -12.159
 1546    HE   ARG  54           HE       ARG  54  11.373   6.796 -14.184
 1547   1HH1  ARG  54          1HH1      ARG  54   8.337   5.182 -13.640
 1548   2HH1  ARG  54          2HH1      ARG  54   7.777   5.455 -15.253
 1549   1HH2  ARG  54          1HH2      ARG  54  10.624   7.137 -16.273
 1550   2HH2  ARG  54          2HH2      ARG  54   9.060   6.553 -16.734
 1551    H    LYS  55           H        LYS  55  13.405   8.456 -12.247
 1552    HA   LYS  55           HA       LYS  55  14.013  11.307 -11.999
 1553   1HB   LYS  55          1HB       LYS  55  14.430   9.288 -14.237
 1554   2HB   LYS  55          2HB       LYS  55  15.226  10.857 -14.114
 1555   1HG   LYS  55          1HG       LYS  55  15.477   9.239 -11.677
 1556   2HG   LYS  55          2HG       LYS  55  16.215   8.486 -13.091
 1557   1HD   LYS  55          1HD       LYS  55  16.784  11.347 -12.948
 1558   2HD   LYS  55          2HD       LYS  55  17.357  10.485 -11.520
 1559   1HE   LYS  55          1HE       LYS  55  19.163  10.324 -13.070
 1560   2HE   LYS  55          2HE       LYS  55  18.331   8.764 -13.221
 1561   1HZ   LYS  55          1HZ       LYS  55  16.939   9.855 -14.981
 1562   2HZ   LYS  55          2HZ       LYS  55  18.568   9.628 -15.408
 1563   3HZ   LYS  55          3HZ       LYS  55  18.018  11.166 -14.943
 1564    H    ASN  56           H        ASN  56  11.750  12.059 -12.003
 1565    HA   ASN  56           HA       ASN  56  10.264  11.785 -14.554
 1566   1HB   ASN  56          1HB       ASN  56  11.787  13.665 -14.906
 1567   2HB   ASN  56          2HB       ASN  56  10.156  14.300 -14.694
 1568   1HD2  ASN  56          1HD2      ASN  56  13.242  13.765 -12.948
 1569   2HD2  ASN  56          2HD2      ASN  56  12.972  14.968 -11.781
 1570    H    MET  57           H        MET  57  10.046  11.274 -11.472
 1571    HA   MET  57           HA       MET  57   7.948  13.006 -10.509
 1572   1HB   MET  57          1HB       MET  57   6.035  11.654 -11.020
 1573   2HB   MET  57          2HB       MET  57   6.950  11.758 -12.518
 1574   1HG   MET  57          1HG       MET  57   8.026   9.535 -11.202
 1575   2HG   MET  57          2HG       MET  57   6.289   9.419 -10.920
 1576   1HE   MET  57          1HE       MET  57   4.829   9.780 -14.486
 1577   2HE   MET  57          2HE       MET  57   5.560  11.227 -13.792
 1578   3HE   MET  57          3HE       MET  57   4.638  10.127 -12.767
 1579    H    SER  58           H        SER  58   6.507  10.766  -9.181
 1580    HA   SER  58           HA       SER  58   8.613   9.420  -7.594
 1581   1HB   SER  58          1HB       SER  58   6.529  11.032  -6.147
 1582   2HB   SER  58          2HB       SER  58   8.138  10.563  -5.603
 1583    HG   SER  58           HG       SER  58   9.028  12.131  -6.799
 1584    H    ALA  59           H        ALA  59   7.616   7.854  -6.020
 1585    HA   ALA  59           HA       ALA  59   4.777   7.153  -6.536
 1586   1HB   ALA  59          1HB       ALA  59   5.708   5.893  -8.272
 1587   2HB   ALA  59          2HB       ALA  59   5.816   4.732  -6.949
 1588   3HB   ALA  59          3HB       ALA  59   7.235   5.666  -7.420
 1589    H    MET  60           H        MET  60   3.959   5.623  -4.932
 1590    HA   MET  60           HA       MET  60   5.597   5.589  -2.431
 1591   1HB   MET  60          1HB       MET  60   3.380   6.635  -2.332
 1592   2HB   MET  60          2HB       MET  60   2.641   5.193  -3.026
 1593   1HG   MET  60          1HG       MET  60   2.307   5.178  -0.610
 1594   2HG   MET  60          2HG       MET  60   3.420   3.884  -1.052
 1595   1HE   MET  60          1HE       MET  60   3.703   7.873   0.457
 1596   2HE   MET  60          2HE       MET  60   3.681   6.925   1.944
 1597   3HE   MET  60          3HE       MET  60   2.451   6.656   0.708
 1598    H    ALA  61           H        ALA  61   5.622   3.574  -1.166
 1599    HA   ALA  61           HA       ALA  61   5.824   1.187  -2.876
 1600   1HB   ALA  61          1HB       ALA  61   6.350   0.379  -0.327
 1601   2HB   ALA  61          2HB       ALA  61   6.616   2.115  -0.163
 1602   3HB   ALA  61          3HB       ALA  61   7.543   1.188  -1.344
 1603    H    LEU  62           H        LEU  62   3.643   0.652  -3.393
 1604    HA   LEU  62           HA       LEU  62   1.566  -0.404  -3.049
 1605   1HB   LEU  62          1HB       LEU  62   0.894   0.602  -0.491
 1606   2HB   LEU  62          2HB       LEU  62   1.914   1.830  -1.239
 1607    HG   LEU  62           HG       LEU  62   0.467   1.647  -3.303
 1608   1HD1  LEU  62          1HD1      LEU  62  -0.508  -0.610  -1.948
 1609   2HD1  LEU  62          2HD1      LEU  62  -1.149   0.081  -3.438
 1610   3HD1  LEU  62          3HD1      LEU  62  -1.821   0.565  -1.881
 1611   1HD2  LEU  62          1HD2      LEU  62  -1.150   2.369  -0.852
 1612   2HD2  LEU  62          2HD2      LEU  62  -1.209   3.110  -2.452
 1613   3HD2  LEU  62          3HD2      LEU  62   0.195   3.363  -1.414
 1614    H    GLY  63           H        GLY  63   3.046  -2.405  -2.685
 1615   1HA   GLY  63          1HA       GLY  63   1.971  -3.932  -0.531
 1616   2HA   GLY  63          2HA       GLY  63   3.327  -4.429  -1.539
 1617    H    PHE  64           H        PHE  64   4.897  -5.050  -0.134
 1618    HA   PHE  64           HA       PHE  64   5.310  -3.598   2.406
 1619   1HB   PHE  64          1HB       PHE  64   6.601  -6.025   1.104
 1620   2HB   PHE  64          2HB       PHE  64   6.929  -5.484   2.750
 1621    HD1  PHE  64           HD1      PHE  64   4.304  -6.798   0.476
 1622    HD2  PHE  64           HD2      PHE  64   5.386  -5.905   4.536
 1623    HE1  PHE  64           HE1      PHE  64   2.310  -8.034   1.279
 1624    HE2  PHE  64           HE2      PHE  64   3.392  -7.142   5.339
 1625    HZ   PHE  64           HZ       PHE  64   1.854  -8.205   3.709
 1626    H    GLY  65           H        GLY  65   5.932  -2.084   0.001
 1627   1HA   GLY  65          1HA       GLY  65   8.825  -2.170  -0.384
 1628   2HA   GLY  65          2HA       GLY  65   7.726  -0.971  -1.063
 1629    H    ALA  66           H        ALA  66   6.643  -0.623   1.815
 1630    HA   ALA  66           HA       ALA  66   8.560   1.509   2.533
 1631   1HB   ALA  66          1HB       ALA  66   5.852   0.658   3.622
 1632   2HB   ALA  66          2HB       ALA  66   6.124   1.901   2.401
 1633   3HB   ALA  66          3HB       ALA  66   6.693   2.146   4.052
 1634    H    ILE  67           H        ILE  67   7.011  -1.289   4.161
 1635    HA   ILE  67           HA       ILE  67   8.259  -1.040   6.670
 1636    HB   ILE  67           HB       ILE  67   7.859  -3.548   6.757
 1637   1HG1  ILE  67          1HG1      ILE  67   6.324  -3.882   4.431
 1638   2HG1  ILE  67          2HG1      ILE  67   7.824  -3.136   3.883
 1639   1HG2  ILE  67          1HG2      ILE  67   5.766  -1.581   5.855
 1640   2HG2  ILE  67          2HG2      ILE  67   6.043  -2.241   7.468
 1641   3HG2  ILE  67          3HG2      ILE  67   5.337  -3.255   6.209
 1642   1HD1  ILE  67          1HD1      ILE  67   8.690  -5.225   3.966
 1643   2HD1  ILE  67          2HD1      ILE  67   7.361  -5.829   4.957
 1644   3HD1  ILE  67          3HD1      ILE  67   8.719  -4.996   5.715
 1645    H    PHE  68           H        PHE  68   9.725  -1.934   3.651
 1646    HA   PHE  68           HA       PHE  68  11.800  -3.655   4.351
 1647   1HB   PHE  68          1HB       PHE  68  11.458  -1.333   2.481
 1648   2HB   PHE  68          2HB       PHE  68  13.059  -2.051   2.628
 1649    HD1  PHE  68           HD1      PHE  68  10.570  -2.068   0.444
 1650    HD2  PHE  68           HD2      PHE  68  12.496  -4.895   3.042
 1651    HE1  PHE  68           HE1      PHE  68   9.865  -3.920  -1.048
 1652    HE2  PHE  68           HE2      PHE  68  11.791  -6.746   1.551
 1653    HZ   PHE  68           HZ       PHE  68  10.476  -6.259  -0.495
 1654    H    ASN  69           H        ASN  69  13.621  -3.500   5.629
 1655    HA   ASN  69           HA       ASN  69  14.056  -0.963   7.117
 1656   1HB   ASN  69          1HB       ASN  69  15.191  -3.770   7.424
 1657   2HB   ASN  69          2HB       ASN  69  15.376  -2.458   8.587
 1658   1HD2  ASN  69          1HD2      ASN  69  14.208  -4.413   9.865
 1659   2HD2  ASN  69          2HD2      ASN  69  12.514  -4.302   9.915
 1660    H    HIS  70           H        HIS  70  16.734  -1.259   7.777
 1661    HA   HIS  70           HA       HIS  70  18.081  -0.704   5.167
 1662   1HB   HIS  70          1HB       HIS  70  18.095   1.083   6.846
 1663   2HB   HIS  70          2HB       HIS  70  18.713  -0.029   8.067
 1664    HD1  HIS  70           HD1      HIS  70  21.100   0.585   8.465
 1665    HD2  HIS  70           HD2      HIS  70  20.150   0.679   4.406
 1666    HE1  HIS  70           HE1      HIS  70  23.256   1.091   7.236
 1667    H    SER  71           H        SER  71  20.257  -1.626   4.864
 1668    HA   SER  71           HA       SER  71  21.375  -3.564   6.693
 1669   1HB   SER  71          1HB       SER  71  19.244  -4.662   5.854
 1670   2HB   SER  71          2HB       SER  71  19.952  -4.652   4.239
 1671    HG   SER  71           HG       SER  71  21.225  -5.792   6.492
 1672    H    LYS  72           H        LYS  72  23.513  -3.705   6.155
 1673    HA   LYS  72           HA       LYS  72  24.662  -2.381   3.911
 1674   1HB   LYS  72          1HB       LYS  72  25.466  -3.613   6.266
 1675   2HB   LYS  72          2HB       LYS  72  26.166  -4.655   5.028
 1676   1HG   LYS  72          1HG       LYS  72  27.849  -3.090   5.136
 1677   2HG   LYS  72          2HG       LYS  72  26.811  -2.267   3.972
 1678   1HD   LYS  72          1HD       LYS  72  25.728  -1.042   5.849
 1679   2HD   LYS  72          2HD       LYS  72  26.840  -1.822   6.973
 1680   1HE   LYS  72          1HE       LYS  72  28.102  -0.473   4.640
 1681   2HE   LYS  72          2HE       LYS  72  27.366   0.589   5.855
 1682   1HZ   LYS  72          1HZ       LYS  72  29.625   0.033   6.497
 1683   2HZ   LYS  72          2HZ       LYS  72  29.285  -1.626   6.380
 1684   3HZ   LYS  72          3HZ       LYS  72  28.532  -0.687   7.578
 1685    H    ASP  73           H        ASP  73  23.709  -5.768   4.401
 1686    HA   ASP  73           HA       ASP  73  24.294  -6.266   1.499
 1687   1HB   ASP  73          1HB       ASP  73  24.892  -7.707   4.026
 1688   2HB   ASP  73          2HB       ASP  73  24.331  -8.726   2.701
 1689    HA   PRO  74           HA       PRO  74  19.745  -6.744   2.337
 1690   1HB   PRO  74          1HB       PRO  74  19.050  -5.836  -0.204
 1691   2HB   PRO  74          2HB       PRO  74  19.147  -4.811   1.238
 1692   1HG   PRO  74          1HG       PRO  74  21.096  -5.169  -0.975
 1693   2HG   PRO  74          2HG       PRO  74  20.697  -3.718  -0.045
 1694   1HD   PRO  74          1HD       PRO  74  22.956  -5.169   0.363
 1695   2HD   PRO  74          2HD       PRO  74  22.145  -4.256   1.653
 1696    H    ASN  75           H        ASN  75  19.777  -9.018   2.229
 1697    HA   ASN  75           HA       ASN  75  20.691 -10.642   0.116
 1698   1HB   ASN  75          1HB       ASN  75  18.330 -11.053   1.989
 1699   2HB   ASN  75          2HB       ASN  75  19.231 -12.331   1.173
 1700   1HD2  ASN  75          1HD2      ASN  75  21.019 -13.153   2.292
 1701   2HD2  ASN  75          2HD2      ASN  75  21.750 -12.404   3.628
 1702    H    ALA  76           H        ALA  76  17.820  -8.671   0.293
 1703    HA   ALA  76           HA       ALA  76  16.946  -9.794  -2.346
 1704   1HB   ALA  76          1HB       ALA  76  15.165 -10.537  -1.124
 1705   2HB   ALA  76          2HB       ALA  76  14.659  -8.848  -1.096
 1706   3HB   ALA  76          3HB       ALA  76  15.582  -9.514   0.250
 1707    H    ARG  77           H        ARG  77  15.649  -8.196  -3.616
 1708    HA   ARG  77           HA       ARG  77  16.069  -5.350  -2.831
 1709   1HB   ARG  77          1HB       ARG  77  18.003  -6.178  -4.188
 1710   2HB   ARG  77          2HB       ARG  77  16.881  -6.611  -5.478
 1711   1HG   ARG  77          1HG       ARG  77  16.255  -4.313  -5.812
 1712   2HG   ARG  77          2HG       ARG  77  17.104  -3.808  -4.352
 1713   1HD   ARG  77          1HD       ARG  77  19.261  -4.390  -5.360
 1714   2HD   ARG  77          2HD       ARG  77  18.441  -5.015  -6.803
 1715    HE   ARG  77           HE       ARG  77  17.443  -2.426  -6.469
 1716   1HH1  ARG  77          1HH1      ARG  77  20.579  -3.885  -6.869
 1717   2HH1  ARG  77          2HH1      ARG  77  21.246  -2.498  -7.657
 1718   1HH2  ARG  77          1HH2      ARG  77  18.332  -0.638  -7.495
 1719   2HH2  ARG  77          2HH2      ARG  77  19.985  -0.672  -8.010
 1720    H    HIS  78           H        HIS  78  14.651  -3.890  -4.033
 1721    HA   HIS  78           HA       HIS  78  12.131  -5.200  -4.851
 1722   1HB   HIS  78          1HB       HIS  78  11.303  -2.862  -4.740
 1723   2HB   HIS  78          2HB       HIS  78  12.197  -3.282  -3.279
 1724    HD1  HIS  78           HD1      HIS  78  14.473  -2.128  -2.890
 1725    HD2  HIS  78           HD2      HIS  78  12.641  -1.003  -6.461
 1726    HE1  HIS  78           HE1      HIS  78  15.765  -0.131  -3.761
 1727    H    GLU  79           H        GLU  79  11.023  -4.331  -6.857
 1728    HA   GLU  79           HA       GLU  79  12.874  -3.361  -8.973
 1729   1HB   GLU  79          1HB       GLU  79  12.726  -5.965  -8.684
 1730   2HB   GLU  79          2HB       GLU  79  11.137  -5.789  -9.427
 1731   1HG   GLU  79          1HG       GLU  79  12.857  -6.258 -11.134
 1732   2HG   GLU  79          2HG       GLU  79  12.169  -4.651 -11.361
 1733    H    LEU  80           H        LEU  80  11.657  -2.675 -10.924
 1734    HA   LEU  80           HA       LEU  80   8.777  -2.078 -10.325
 1735   1HB   LEU  80          1HB       LEU  80  11.036  -0.442 -11.501
 1736   2HB   LEU  80          2HB       LEU  80   9.352   0.013 -11.757
 1737    HG   LEU  80           HG       LEU  80  10.380  -0.558  -8.983
 1738   1HD1  LEU  80          1HD1      LEU  80  10.315   2.215 -10.163
 1739   2HD1  LEU  80          2HD1      LEU  80  11.765   1.220 -10.282
 1740   3HD1  LEU  80          3HD1      LEU  80  11.125   1.660  -8.699
 1741   1HD2  LEU  80          1HD2      LEU  80   8.534   0.985  -8.391
 1742   2HD2  LEU  80          2HD2      LEU  80   7.950  -0.382  -9.341
 1743   3HD2  LEU  80          3HD2      LEU  80   8.168   1.192 -10.104
 1744    H    THR  81           H        THR  81   7.343  -2.206 -12.122
 1745    HA   THR  81           HA       THR  81   8.109  -4.053 -14.229
 1746    HB   THR  81           HB       THR  81   5.710  -3.202 -14.995
 1747    HG1  THR  81           HG1      THR  81   5.131  -1.586 -13.802
 1748   1HG2  THR  81          1HG2      THR  81   4.832  -4.950 -13.761
 1749   2HG2  THR  81          2HG2      THR  81   5.692  -4.483 -12.293
 1750   3HG2  THR  81          3HG2      THR  81   6.550  -5.313 -13.592
 1751    H    ALA  82           H        ALA  82   9.966  -2.338 -14.791
 1752    HA   ALA  82           HA       ALA  82  10.818  -0.804 -16.372
 1753   1HB   ALA  82          1HB       ALA  82   9.676  -1.009 -18.562
 1754   2HB   ALA  82          2HB       ALA  82   8.281  -1.739 -17.767
 1755   3HB   ALA  82          3HB       ALA  82   9.826  -2.589 -17.793
 1756    H    GLY  83           H        GLY  83   9.180   0.364 -14.294
 1757   1HA   GLY  83          1HA       GLY  83   8.787   2.972 -15.248
 1758   2HA   GLY  83          2HA       GLY  83   7.226   2.168 -15.407
 1759    H    LEU  84           H        LEU  84   6.025   2.959 -13.728
 1760    HA   LEU  84           HA       LEU  84   7.127   2.607 -10.965
 1761   1HB   LEU  84          1HB       LEU  84   6.761   5.019 -12.372
 1762   2HB   LEU  84          2HB       LEU  84   5.379   4.922 -11.282
 1763    HG   LEU  84           HG       LEU  84   6.879   4.577  -9.372
 1764   1HD1  LEU  84          1HD1      LEU  84   8.810   4.146 -11.543
 1765   2HD1  LEU  84          2HD1      LEU  84   8.854   3.579  -9.874
 1766   3HD1  LEU  84          3HD1      LEU  84   9.417   5.203 -10.269
 1767   1HD2  LEU  84          1HD2      LEU  84   7.356   6.804  -9.156
 1768   2HD2  LEU  84          2HD2      LEU  84   6.456   6.928 -10.668
 1769   3HD2  LEU  84          3HD2      LEU  84   8.218   6.871 -10.693
 1770    H    LYS  85           H        LYS  85   5.058   1.233 -12.807
 1771    HA   LYS  85           HA       LYS  85   2.497   1.760 -11.474
 1772   1HB   LYS  85          1HB       LYS  85   3.344  -0.413 -13.426
 1773   2HB   LYS  85          2HB       LYS  85   1.695   0.116 -13.100
 1774   1HG   LYS  85          1HG       LYS  85   3.874   1.900 -14.228
 1775   2HG   LYS  85          2HG       LYS  85   2.640   1.100 -15.201
 1776   1HD   LYS  85          1HD       LYS  85   1.087   2.644 -14.653
 1777   2HD   LYS  85          2HD       LYS  85   1.483   2.534 -12.938
 1778   1HE   LYS  85          1HE       LYS  85   3.561   3.945 -13.473
 1779   2HE   LYS  85          2HE       LYS  85   2.807   4.261 -15.048
 1780   1HZ   LYS  85          1HZ       LYS  85   2.095   5.939 -13.495
 1781   2HZ   LYS  85          2HZ       LYS  85   1.618   4.763 -12.367
 1782   3HZ   LYS  85          3HZ       LYS  85   0.775   4.925 -13.832
 1783    H    ARG  86           H        ARG  86   4.253  -1.333 -11.978
 1784    HA   ARG  86           HA       ARG  86   3.130  -2.274  -9.376
 1785   1HB   ARG  86          1HB       ARG  86   3.902  -3.434 -12.011
 1786   2HB   ARG  86          2HB       ARG  86   4.142  -4.470 -10.604
 1787   1HG   ARG  86          1HG       ARG  86   1.735  -3.844  -9.945
 1788   2HG   ARG  86          2HG       ARG  86   1.573  -3.218 -11.586
 1789   1HD   ARG  86          1HD       ARG  86   2.706  -5.691 -12.040
 1790   2HD   ARG  86          2HD       ARG  86   1.647  -6.013 -10.653
 1791    HE   ARG  86           HE       ARG  86   0.094  -4.427 -12.311
 1792   1HH1  ARG  86          1HH1      ARG  86   1.890  -7.381 -12.726
 1793   2HH1  ARG  86          2HH1      ARG  86   0.831  -7.981 -13.954
 1794   1HH2  ARG  86          1HH2      ARG  86  -1.266  -5.229 -13.907
 1795   2HH2  ARG  86          2HH2      ARG  86  -0.942  -6.775 -14.619
 1796    H    MET  87           H        MET  87   4.572  -3.691  -8.057
 1797    HA   MET  87           HA       MET  87   7.485  -3.062  -8.381
 1798   1HB   MET  87          1HB       MET  87   5.576  -2.258  -6.334
 1799   2HB   MET  87          2HB       MET  87   6.893  -3.192  -5.626
 1800   1HG   MET  87          1HG       MET  87   8.493  -1.696  -6.921
 1801   2HG   MET  87          2HG       MET  87   7.104  -0.676  -7.296
 1802   1HE   MET  87          1HE       MET  87   9.836  -1.029  -4.054
 1803   2HE   MET  87          2HE       MET  87   9.267  -2.360  -5.062
 1804   3HE   MET  87          3HE       MET  87   8.625  -2.150  -3.433
 1805    H    ARG  88           H        ARG  88   8.878  -4.747  -7.641
 1806    HA   ARG  88           HA       ARG  88   7.527  -7.251  -6.693
 1807   1HB   ARG  88          1HB       ARG  88   9.680  -6.931  -8.818
 1808   2HB   ARG  88          2HB       ARG  88   9.001  -8.467  -8.279
 1809   1HG   ARG  88          1HG       ARG  88   6.833  -7.909  -9.138
 1810   2HG   ARG  88          2HG       ARG  88   7.304  -6.232  -9.413
 1811   1HD   ARG  88          1HD       ARG  88   7.708  -6.948 -11.556
 1812   2HD   ARG  88          2HD       ARG  88   9.208  -7.600 -10.869
 1813    HE   ARG  88           HE       ARG  88   7.137  -9.471 -10.340
 1814   1HH1  ARG  88          1HH1      ARG  88   8.844  -8.110 -13.051
 1815   2HH1  ARG  88          2HH1      ARG  88   8.644  -9.524 -14.027
 1816   1HH2  ARG  88          1HH2      ARG  88   6.891 -11.295 -11.627
 1817   2HH2  ARG  88          2HH2      ARG  88   7.548 -11.314 -13.230
 1818    H    ILE  89           H        ILE  89   9.179  -8.803  -5.739
 1819    HA   ILE  89           HA       ILE  89  11.532  -7.361  -4.570
 1820    HB   ILE  89           HB       ILE  89   9.572  -9.207  -3.154
 1821   1HG1  ILE  89          1HG1      ILE  89   9.933  -6.205  -2.907
 1822   2HG1  ILE  89          2HG1      ILE  89   8.614  -6.985  -3.779
 1823   1HG2  ILE  89          1HG2      ILE  89  11.993  -9.128  -2.352
 1824   2HG2  ILE  89          2HG2      ILE  89  10.778  -8.687  -1.151
 1825   3HG2  ILE  89          3HG2      ILE  89  11.713  -7.431  -1.963
 1826   1HD1  ILE  89          1HD1      ILE  89   9.039  -7.952  -1.014
 1827   2HD1  ILE  89          2HD1      ILE  89   7.535  -7.591  -1.862
 1828   3HD1  ILE  89          3HD1      ILE  89   8.480  -6.284  -1.148
 1829    H    PHE  90           H        PHE  90  13.006  -8.512  -5.913
 1830    HA   PHE  90           HA       PHE  90  12.886 -11.466  -5.995
 1831   1HB   PHE  90          1HB       PHE  90  14.542  -9.270  -7.254
 1832   2HB   PHE  90          2HB       PHE  90  14.988 -10.965  -7.443
 1833    HD1  PHE  90           HD1      PHE  90  13.780 -12.413  -8.909
 1834    HD2  PHE  90           HD2      PHE  90  12.293  -8.477  -8.047
 1835    HE1  PHE  90           HE1      PHE  90  12.098 -12.653 -10.715
 1836    HE2  PHE  90           HE2      PHE  90  10.611  -8.717  -9.853
 1837    HZ   PHE  90           HZ       PHE  90  10.513 -10.805 -11.188
 1838    H    THR  91           H        THR  91  15.284 -12.447  -5.801
 1839    HA   THR  91           HA       THR  91  16.419 -11.455  -3.206
 1840    HB   THR  91           HB       THR  91  17.139 -14.022  -3.226
 1841    HG1  THR  91           HG1      THR  91  14.749 -14.102  -4.722
 1842   1HG2  THR  91          1HG2      THR  91  15.618 -12.955  -1.589
 1843   2HG2  THR  91          2HG2      THR  91  15.041 -14.557  -2.049
 1844   3HG2  THR  91          3HG2      THR  91  14.284 -13.118  -2.732
 1845    H    ILE  92           H        ILE  92  18.074 -10.155  -4.171
 1846    HA   ILE  92           HA       ILE  92  19.717 -10.833  -6.364
 1847    HB   ILE  92           HB       ILE  92  21.251  -9.164  -5.339
 1848   1HG1  ILE  92          1HG1      ILE  92  19.434  -8.994  -2.958
 1849   2HG1  ILE  92          2HG1      ILE  92  20.718 -10.202  -2.968
 1850   1HG2  ILE  92          1HG2      ILE  92  18.956  -8.582  -6.394
 1851   2HG2  ILE  92          2HG2      ILE  92  19.746  -7.344  -5.417
 1852   3HG2  ILE  92          3HG2      ILE  92  18.426  -8.295  -4.736
 1853   1HD1  ILE  92          1HD1      ILE  92  22.058  -7.987  -3.861
 1854   2HD1  ILE  92          2HD1      ILE  92  22.015  -8.508  -2.176
 1855   3HD1  ILE  92          3HD1      ILE  92  20.900  -7.265  -2.744
 1856    H    LYS  93           H        LYS  93  19.709 -12.125  -3.133
 1857    HA   LYS  93           HA       LYS  93  22.100 -13.780  -3.840
 1858   1HB   LYS  93          1HB       LYS  93  21.519 -12.299  -1.247
 1859   2HB   LYS  93          2HB       LYS  93  22.868 -13.411  -1.482
 1860   1HG   LYS  93          1HG       LYS  93  23.053 -11.683  -3.658
 1861   2HG   LYS  93          2HG       LYS  93  22.594 -10.625  -2.323
 1862   1HD   LYS  93          1HD       LYS  93  24.474 -12.186  -1.111
 1863   2HD   LYS  93          2HD       LYS  93  25.101 -12.136  -2.758
 1864   1HE   LYS  93          1HE       LYS  93  24.905  -9.632  -2.705
 1865   2HE   LYS  93          2HE       LYS  93  24.433  -9.748  -0.999
 1866   1HZ   LYS  93          1HZ       LYS  93  26.833  -9.463  -1.218
 1867   2HZ   LYS  93          2HZ       LYS  93  26.928 -10.845  -2.199
 1868   3HZ   LYS  93          3HZ       LYS  93  26.472 -10.991  -0.569
 1869    HA   PRO  94           HA       PRO  94  19.791 -17.234  -2.429
 1870   1HB   PRO  94          1HB       PRO  94  22.030 -18.067  -0.684
 1871   2HB   PRO  94          2HB       PRO  94  21.301 -18.919  -2.054
 1872   1HG   PRO  94          1HG       PRO  94  23.738 -17.768  -2.171
 1873   2HG   PRO  94          2HG       PRO  94  22.673 -17.914  -3.574
 1874   1HD   PRO  94          1HD       PRO  94  23.327 -15.527  -1.936
 1875   2HD   PRO  94          2HD       PRO  94  22.910 -15.641  -3.658
 1876    H    ILE  95           H        ILE  95  18.719 -18.080  -0.482
 1877    HA   ILE  95           HA       ILE  95  19.199 -16.552   2.030
 1878    HB   ILE  95           HB       ILE  95  16.687 -16.651   0.336
 1879   1HG1  ILE  95          1HG1      ILE  95  18.294 -14.384   1.550
 1880   2HG1  ILE  95          2HG1      ILE  95  18.318 -14.869  -0.145
 1881   1HG2  ILE  95          1HG2      ILE  95  16.911 -16.537   3.244
 1882   2HG2  ILE  95          2HG2      ILE  95  15.469 -16.696   2.238
 1883   3HG2  ILE  95          3HG2      ILE  95  16.127 -15.098   2.590
 1884   1HD1  ILE  95          1HD1      ILE  95  15.990 -13.716   1.411
 1885   2HD1  ILE  95          2HD1      ILE  95  15.809 -14.454  -0.180
 1886   3HD1  ILE  95          3HD1      ILE  95  16.804 -13.011   0.015
 1887    H    ALA  96           H        ALA  96  18.890 -17.824   3.814
 1888    HA   ALA  96           HA       ALA  96  17.950 -20.619   3.399
 1889   1HB   ALA  96          1HB       ALA  96  20.143 -20.310   4.384
 1890   2HB   ALA  96          2HB       ALA  96  19.070 -20.834   5.683
 1891   3HB   ALA  96          3HB       ALA  96  19.513 -19.133   5.537
 1892    H    ILE  97           H        ILE  97  16.649 -21.563   5.202
 1893    HA   ILE  97           HA       ILE  97  14.260 -20.073   5.731
 1894    HB   ILE  97           HB       ILE  97  15.454 -22.552   7.030
 1895   1HG1  ILE  97          1HG1      ILE  97  13.468 -23.290   5.229
 1896   2HG1  ILE  97          2HG1      ILE  97  14.318 -21.993   4.395
 1897   1HG2  ILE  97          1HG2      ILE  97  13.178 -21.106   7.761
 1898   2HG2  ILE  97          2HG2      ILE  97  13.530 -22.780   8.191
 1899   3HG2  ILE  97          3HG2      ILE  97  12.553 -22.422   6.766
 1900   1HD1  ILE  97          1HD1      ILE  97  16.194 -23.245   4.127
 1901   2HD1  ILE  97          2HD1      ILE  97  15.143 -24.620   4.470
 1902   3HD1  ILE  97          3HD1      ILE  97  16.099 -23.896   5.764
 1903    H    GLY  98           H        GLY  98  14.310 -18.287   7.056
 1904   1HA   GLY  98          1HA       GLY  98  14.226 -17.644   9.465
 1905   2HA   GLY  98          2HA       GLY  98  15.706 -18.577   9.686
 1906    H    GLU  99           H        GLU  99  15.365 -16.673   6.796
 1907    HA   GLU  99           HA       GLU  99  17.591 -14.938   7.719
 1908   1HB   GLU  99          1HB       GLU  99  16.344 -15.813   5.132
 1909   2HB   GLU  99          2HB       GLU  99  17.201 -14.274   5.139
 1910   1HG   GLU  99          1HG       GLU  99  18.328 -16.980   5.915
 1911   2HG   GLU  99          2HG       GLU  99  18.747 -16.029   4.492
 1912    H    GLU 100           H        GLU 100  17.320 -12.588   6.619
 1913    HA   GLU 100           HA       GLU 100  14.557 -11.604   7.250
 1914   1HB   GLU 100          1HB       GLU 100  16.626 -11.209   8.871
 1915   2HB   GLU 100          2HB       GLU 100  17.029  -9.950   7.703
 1916   1HG   GLU 100          1HG       GLU 100  14.358  -9.493   8.051
 1917   2HG   GLU 100          2HG       GLU 100  14.807 -10.074   9.655
 1918    H    ILE 101           H        ILE 101  13.680 -10.669   5.458
 1919    HA   ILE 101           HA       ILE 101  15.426  -9.935   3.196
 1920    HB   ILE 101           HB       ILE 101  12.406  -9.813   3.492
 1921   1HG1  ILE 101          1HG1      ILE 101  14.193 -12.095   2.599
 1922   2HG1  ILE 101          2HG1      ILE 101  13.184 -12.063   4.043
 1923   1HG2  ILE 101          1HG2      ILE 101  12.326  -9.500   1.219
 1924   2HG2  ILE 101          2HG2      ILE 101  13.787 -10.446   0.936
 1925   3HG2  ILE 101          3HG2      ILE 101  13.911  -8.782   1.507
 1926   1HD1  ILE 101          1HD1      ILE 101  11.428 -12.802   2.850
 1927   2HD1  ILE 101          2HD1      ILE 101  12.444 -12.868   1.410
 1928   3HD1  ILE 101          3HD1      ILE 101  11.547 -11.398   1.790
 1929    H    THR 102           H        THR 102  15.979  -7.882   2.705
 1930    HA   THR 102           HA       THR 102  14.346  -5.567   3.463
 1931    HB   THR 102           HB       THR 102  17.020  -6.220   4.761
 1932    HG1  THR 102           HG1      THR 102  15.569  -7.097   6.034
 1933   1HG2  THR 102          1HG2      THR 102  17.062  -3.874   4.277
 1934   2HG2  THR 102          2HG2      THR 102  16.601  -4.021   5.972
 1935   3HG2  THR 102          3HG2      THR 102  15.375  -3.681   4.751
 1936    H    ILE 103           H        ILE 103  15.013  -3.707   2.254
 1937    HA   ILE 103           HA       ILE 103  17.208  -4.237   0.278
 1938    HB   ILE 103           HB       ILE 103  15.869  -2.766  -1.202
 1939   1HG1  ILE 103          1HG1      ILE 103  13.488  -2.713   0.484
 1940   2HG1  ILE 103          2HG1      ILE 103  14.824  -1.818   1.205
 1941   1HG2  ILE 103          1HG2      ILE 103  15.388  -5.281  -0.871
 1942   2HG2  ILE 103          2HG2      ILE 103  14.127  -4.315  -1.638
 1943   3HG2  ILE 103          3HG2      ILE 103  13.986  -4.760   0.063
 1944   1HD1  ILE 103          1HD1      ILE 103  14.016  -0.147  -0.149
 1945   2HD1  ILE 103          2HD1      ILE 103  13.313  -1.280  -1.303
 1946   3HD1  ILE 103          3HD1      ILE 103  15.044  -0.947  -1.337
 1947    H    SER 104           H        SER 104  18.324  -2.222  -0.496
 1948    HA   SER 104           HA       SER 104  19.105  -0.546   1.782
 1949   1HB   SER 104          1HB       SER 104  20.513  -1.581  -0.158
 1950   2HB   SER 104          2HB       SER 104  19.921  -0.220  -1.111
 1951    HG   SER 104           HG       SER 104  21.750   0.517  -0.204
 1952    H    TYR 105           H        TYR 105  19.636   1.881   0.381
 1953    HA   TYR 105           HA       TYR 105  16.866   2.839  -0.252
 1954   1HB   TYR 105          1HB       TYR 105  19.074   4.152   1.374
 1955   2HB   TYR 105          2HB       TYR 105  17.525   4.906   0.995
 1956    HD1  TYR 105           HD1      TYR 105  19.016   3.763   3.694
 1957    HD2  TYR 105           HD2      TYR 105  15.663   2.619   1.264
 1958    HE1  TYR 105           HE1      TYR 105  17.997   2.611   5.640
 1959    HE2  TYR 105           HE2      TYR 105  14.645   1.469   3.210
 1960    HH   TYR 105           HH       TYR 105  14.734   1.361   5.532
 1961    H    GLY 106           H        GLY 106  19.686   4.962  -0.254
 1962   1HA   GLY 106          1HA       GLY 106  20.437   4.621  -2.992
 1963   2HA   GLY 106          2HA       GLY 106  19.228   5.899  -2.881
 1964    H    ASP 107           H        ASP 107  21.718   6.605  -3.763
 1965    HA   ASP 107           HA       ASP 107  23.626   7.370  -1.782
 1966   1HB   ASP 107          1HB       ASP 107  22.863   8.214  -4.571
 1967   2HB   ASP 107          2HB       ASP 107  24.081   9.143  -3.697
 1968    H    ASP 108           H        ASP 108  21.212   9.446  -3.443
 1969    HA   ASP 108           HA       ASP 108  21.550  11.734  -1.795
 1970   1HB   ASP 108          1HB       ASP 108  19.733  10.665  -3.812
 1971   2HB   ASP 108          2HB       ASP 108  18.860  11.619  -2.613
 1972    H    TYR 109           H        TYR 109  19.388   8.920  -1.439
 1973    HA   TYR 109           HA       TYR 109  18.263   9.991   1.068
 1974   1HB   TYR 109          1HB       TYR 109  17.464   8.297  -1.011
 1975   2HB   TYR 109          2HB       TYR 109  17.698   7.206   0.352
 1976    HD1  TYR 109           HD1      TYR 109  15.548   6.695   1.144
 1977    HD2  TYR 109           HD2      TYR 109  16.571  10.778   0.288
 1978    HE1  TYR 109           HE1      TYR 109  13.387   7.439   2.108
 1979    HE2  TYR 109           HE2      TYR 109  14.411  11.522   1.251
 1980    HH   TYR 109           HH       TYR 109  11.853   9.611   1.715
 1981    H    TRP 110           H        TRP 110  21.186   9.290   0.972
 1982    HA   TRP 110           HA       TRP 110  21.364   7.930   3.499
 1983   1HB   TRP 110          1HB       TRP 110  20.720   6.190   1.589
 1984   2HB   TRP 110          2HB       TRP 110  22.451   6.258   1.253
 1985    HD1  TRP 110           HD1      TRP 110  23.766   4.519   2.515
 1986    HE1  TRP 110           HE1      TRP 110  23.563   3.320   4.790
 1987    HE3  TRP 110           HE3      TRP 110  19.511   6.713   4.288
 1988    HZ2  TRP 110           HZ2      TRP 110  21.822   3.301   7.063
 1989    HZ3  TRP 110           HZ3      TRP 110  18.603   6.088   6.507
 1990    HH2  TRP 110           HH2      TRP 110  19.751   4.385   7.895
 1991    H    LEU 111           H        LEU 111  23.878   6.943   3.515
 1992    HA   LEU 111           HA       LEU 111  25.613   9.142   3.551
 1993   1HB   LEU 111          1HB       LEU 111  25.875   6.793   4.506
 1994   2HB   LEU 111          2HB       LEU 111  26.360   6.273   2.892
 1995    HG   LEU 111           HG       LEU 111  28.103   8.170   3.002
 1996   1HD1  LEU 111          1HD1      LEU 111  26.924   8.216   5.728
 1997   2HD1  LEU 111          2HD1      LEU 111  27.689   9.514   4.810
 1998   3HD1  LEU 111          3HD1      LEU 111  28.683   8.318   5.643
 1999   1HD2  LEU 111          1HD2      LEU 111  28.569   5.706   3.236
 2000   2HD2  LEU 111          2HD2      LEU 111  28.407   5.894   4.982
 2001   3HD2  LEU 111          3HD2      LEU 111  29.699   6.730   4.121
 2002    H    SER 112           H        SER 112  27.323   9.797   2.078
 2003    HA   SER 112           HA       SER 112  26.527   9.910  -0.694
 2004   1HB   SER 112          1HB       SER 112  27.771  11.693   0.398
 2005   2HB   SER 112          2HB       SER 112  29.077  10.583   0.815
 2006    HG   SER 112           HG       SER 112  29.056  12.036  -1.249
 2007    H    ARG 113           H        ARG 113  26.630   8.074  -1.947
 2008    HA   ARG 113           HA       ARG 113  27.507   6.127  -2.953
 2009   1HB   ARG 113          1HB       ARG 113  29.455   8.220  -2.785
 2010   2HB   ARG 113          2HB       ARG 113  30.290   6.686  -2.537
 2011   1HG   ARG 113          1HG       ARG 113  29.494   5.810  -4.613
 2012   2HG   ARG 113          2HG       ARG 113  28.322   7.115  -4.794
 2013   1HD   ARG 113          1HD       ARG 113  30.872   8.347  -4.507
 2014   2HD   ARG 113          2HD       ARG 113  31.049   7.047  -5.701
 2015    HE   ARG 113           HE       ARG 113  28.594   8.578  -6.063
 2016   1HH1  ARG 113          1HH1      ARG 113  32.007   8.454  -6.733
 2017   2HH1  ARG 113          2HH1      ARG 113  31.876   9.434  -8.151
 2018   1HH2  ARG 113          1HH2      ARG 113  28.449   9.849  -7.907
 2019   2HH2  ARG 113          2HH2      ARG 113  29.878  10.219  -8.814
 2020    HA   PRO 114           HA       PRO 114  28.378   4.216   1.155
 2021   1HB   PRO 114          1HB       PRO 114  26.573   2.157   0.841
 2022   2HB   PRO 114          2HB       PRO 114  26.148   3.730   1.541
 2023   1HG   PRO 114          1HG       PRO 114  25.655   2.668  -1.189
 2024   2HG   PRO 114          2HG       PRO 114  24.651   3.728  -0.191
 2025   1HD   PRO 114          1HD       PRO 114  26.203   4.587  -2.286
 2026   2HD   PRO 114          2HD       PRO 114  25.706   5.613  -0.926
 2027    H    ARG 115           H        ARG 115  30.411   3.379   0.597
 2028    HA   ARG 115           HA       ARG 115  30.713   1.396  -1.534
 2029   1HB   ARG 115          1HB       ARG 115  32.641   2.334   0.617
 2030   2HB   ARG 115          2HB       ARG 115  33.068   1.558  -0.906
 2031   1HG   ARG 115          1HG       ARG 115  31.835   4.300  -0.518
 2032   2HG   ARG 115          2HG       ARG 115  33.414   3.922  -1.198
 2033   1HD   ARG 115          1HD       ARG 115  31.915   2.512  -2.924
 2034   2HD   ARG 115          2HD       ARG 115  30.719   3.742  -2.472
 2035    HE   ARG 115           HE       ARG 115  33.008   5.224  -2.867
 2036   1HH1  ARG 115          1HH1      ARG 115  31.329   2.837  -4.764
 2037   2HH1  ARG 115          2HH1      ARG 115  31.837   3.516  -6.270
 2038   1HH2  ARG 115          1HH2      ARG 115  33.656   6.089  -4.835
 2039   2HH2  ARG 115          2HH2      ARG 115  33.145   5.344  -6.313
 2040    H    LEU 116           H        LEU 116  30.517  -0.789  -1.252
 2041    HA   LEU 116           HA       LEU 116  30.685  -1.865   1.545
 2042   1HB   LEU 116          1HB       LEU 116  28.612  -1.906  -0.498
 2043   2HB   LEU 116          2HB       LEU 116  29.067  -3.546  -0.037
 2044    HG   LEU 116           HG       LEU 116  28.825  -1.736   2.258
 2045   1HD1  LEU 116          1HD1      LEU 116  26.315  -1.729   2.168
 2046   2HD1  LEU 116          2HD1      LEU 116  26.418  -2.293   0.500
 2047   3HD1  LEU 116          3HD1      LEU 116  27.063  -0.711   0.938
 2048   1HD2  LEU 116          1HD2      LEU 116  28.309  -4.509   1.478
 2049   2HD2  LEU 116          2HD2      LEU 116  27.035  -3.848   2.502
 2050   3HD2  LEU 116          3HD2      LEU 116  28.707  -3.848   3.063
 2051    H    THR 117           H        THR 117  32.640  -1.707  -0.871
 2052    HA   THR 117           HA       THR 117  33.001  -4.443  -1.775
 2053    HB   THR 117           HB       THR 117  34.948  -2.109  -1.691
 2054    HG1  THR 117           HG1      THR 117  33.430  -1.243  -2.865
 2055   1HG2  THR 117          1HG2      THR 117  36.016  -3.193  -3.554
 2056   2HG2  THR 117          2HG2      THR 117  34.710  -4.371  -3.691
 2057   3HG2  THR 117          3HG2      THR 117  35.801  -4.421  -2.306
 2058    H    GLN 118           H        GLN 118  34.481  -5.986  -0.989
 2059    HA   GLN 118           HA       GLN 118  35.135  -5.920   1.815
 2060   1HB   GLN 118          1HB       GLN 118  34.733  -7.880   0.160
 2061   2HB   GLN 118          2HB       GLN 118  36.420  -7.659  -0.303
 2062   1HG   GLN 118          1HG       GLN 118  36.965  -7.817   2.198
 2063   2HG   GLN 118          2HG       GLN 118  35.316  -8.403   2.412
 2064   1HE2  GLN 118          1HE2      GLN 118  36.930 -10.337   3.145
 2065   2HE2  GLN 118          2HE2      GLN 118  37.227 -11.487   1.933
 2066    H    ASN 119           H        ASN 119  37.126  -5.490   2.825
 2067    HA   ASN 119           HA       ASN 119  38.948  -3.682   1.491
 2068   1HB   ASN 119          1HB       ASN 119  40.151  -3.880   3.667
 2069   2HB   ASN 119          2HB       ASN 119  38.420  -3.640   3.904
 2070   1HD2  ASN 119          1HD2      ASN 119  40.909  -5.422   5.119
 2071   2HD2  ASN 119          2HD2      ASN 119  40.074  -6.827   5.578
 2072   1H    GLY 201          1H        GLY 201  38.987  34.651   4.809
 2073   2H    GLY 201          2H        GLY 201  40.086  35.935   4.645
 2074   3H    GLY 201          3H        GLY 201  39.053  35.532   3.359
 2075   1HA   GLY 201          1HA       GLY 201  38.480  37.002   5.822
 2076   2HA   GLY 201          2HA       GLY 201  37.908  37.296   4.180
 2077    H    LYS 202           H        LYS 202  35.848  36.650   3.744
 2078    HA   LYS 202           HA       LYS 202  34.628  34.567   5.528
 2079   1HB   LYS 202          1HB       LYS 202  32.561  35.936   5.369
 2080   2HB   LYS 202          2HB       LYS 202  33.894  36.884   6.028
 2081   1HG   LYS 202          1HG       LYS 202  33.953  37.070   3.162
 2082   2HG   LYS 202          2HG       LYS 202  32.327  37.455   3.724
 2083   1HD   LYS 202          1HD       LYS 202  33.022  39.321   4.883
 2084   2HD   LYS 202          2HD       LYS 202  34.608  38.637   5.239
 2085   1HE   LYS 202          1HE       LYS 202  34.379  38.932   2.390
 2086   2HE   LYS 202          2HE       LYS 202  33.943  40.470   3.159
 2087   1HZ   LYS 202          1HZ       LYS 202  36.399  38.852   3.564
 2088   2HZ   LYS 202          2HZ       LYS 202  35.932  40.079   4.641
 2089   3HZ   LYS 202          3HZ       LYS 202  36.289  40.459   3.024
 2090    H    ALA 203           H        ALA 203  35.875  34.370   2.782
 2091    HA   ALA 203           HA       ALA 203  33.761  34.104   0.829
 2092   1HB   ALA 203          1HB       ALA 203  35.604  33.916  -0.474
 2093   2HB   ALA 203          2HB       ALA 203  36.085  32.435   0.353
 2094   3HB   ALA 203          3HB       ALA 203  36.582  34.002   0.991
 2095    HA   PRO 204           HA       PRO 204  34.263  29.370   1.846
 2096   1HB   PRO 204          1HB       PRO 204  35.075  29.482   4.696
 2097   2HB   PRO 204          2HB       PRO 204  35.699  28.456   3.393
 2098   1HG   PRO 204          1HG       PRO 204  37.093  30.517   4.432
 2099   2HG   PRO 204          2HG       PRO 204  37.250  29.999   2.748
 2100   1HD   PRO 204          1HD       PRO 204  35.857  32.367   3.878
 2101   2HD   PRO 204          2HD       PRO 204  36.685  32.171   2.320
 2102    H    ARG 205           H        ARG 205  31.962  30.124   1.756
 2103    HA   ARG 205           HA       ARG 205  30.537  29.405   4.223
 2104   1HB   ARG 205          1HB       ARG 205  29.393  31.620   4.338
 2105   2HB   ARG 205          2HB       ARG 205  31.133  31.773   4.576
 2106   1HG   ARG 205          1HG       ARG 205  31.474  32.684   2.443
 2107   2HG   ARG 205          2HG       ARG 205  29.963  32.025   1.814
 2108   1HD   ARG 205          1HD       ARG 205  29.236  33.708   3.976
 2109   2HD   ARG 205          2HD       ARG 205  30.428  34.609   3.020
 2110    HE   ARG 205           HE       ARG 205  28.467  33.210   1.369
 2111   1HH1  ARG 205          1HH1      ARG 205  29.140  36.097   3.195
 2112   2HH1  ARG 205          2HH1      ARG 205  28.030  37.063   2.285
 2113   1HH2  ARG 205          1HH2      ARG 205  27.033  34.485   0.204
 2114   2HH2  ARG 205          2HH2      ARG 205  26.845  36.159   0.604
 2115    H    LYS 206           H        LYS 206  28.203  29.186   3.819
 2116    HA   LYS 206           HA       LYS 206  26.406  28.450   2.473
 2117   1HB   LYS 206          1HB       LYS 206  26.898  31.001   1.967
 2118   2HB   LYS 206          2HB       LYS 206  27.422  30.383   0.401
 2119   1HG   LYS 206          1HG       LYS 206  25.297  29.712  -0.199
 2120   2HG   LYS 206          2HG       LYS 206  24.813  29.397   1.468
 2121   1HD   LYS 206          1HD       LYS 206  23.607  31.342   0.969
 2122   2HD   LYS 206          2HD       LYS 206  25.050  31.994   1.745
 2123   1HE   LYS 206          1HE       LYS 206  25.346  33.239  -0.135
 2124   2HE   LYS 206          2HE       LYS 206  25.753  31.726  -0.967
 2125   1HZ   LYS 206          1HZ       LYS 206  23.910  32.560  -2.128
 2126   2HZ   LYS 206          2HZ       LYS 206  23.107  33.036  -0.709
 2127   3HZ   LYS 206          3HZ       LYS 206  23.246  31.388  -1.095
 2128    H    GLN 207           H        GLN 207  28.192  26.540   2.249
 2129    HA   GLN 207           HA       GLN 207  29.324  26.219  -0.425
 2130   1HB   GLN 207          1HB       GLN 207  29.126  24.724   2.157
 2131   2HB   GLN 207          2HB       GLN 207  29.475  23.778   0.710
 2132   1HG   GLN 207          1HG       GLN 207  31.018  26.301   1.072
 2133   2HG   GLN 207          2HG       GLN 207  31.413  24.964   2.152
 2134   1HE2  GLN 207          1HE2      GLN 207  33.537  24.963   0.876
 2135   2HE2  GLN 207          2HE2      GLN 207  33.585  24.112  -0.592
 2136    H    LEU 208           H        LEU 208  28.751  23.689  -1.204
 2137    HA   LEU 208           HA       LEU 208  25.968  23.903  -2.136
 2138   1HB   LEU 208          1HB       LEU 208  28.231  21.924  -2.594
 2139   2HB   LEU 208          2HB       LEU 208  26.695  21.885  -3.459
 2140    HG   LEU 208           HG       LEU 208  28.241  24.451  -3.397
 2141   1HD1  LEU 208          1HD1      LEU 208  29.782  23.805  -5.008
 2142   2HD1  LEU 208          2HD1      LEU 208  28.782  22.467  -5.575
 2143   3HD1  LEU 208          3HD1      LEU 208  29.676  22.321  -4.062
 2144   1HD2  LEU 208          1HD2      LEU 208  26.812  25.012  -5.067
 2145   2HD2  LEU 208          2HD2      LEU 208  25.876  23.610  -4.548
 2146   3HD2  LEU 208          3HD2      LEU 208  27.022  23.461  -5.881
 2147    H    ALA 209           H        ALA 209  24.475  22.031  -1.931
 2148    HA   ALA 209           HA       ALA 209  24.916  20.518   0.625
 2149   1HB   ALA 209          1HB       ALA 209  22.746  22.188  -0.456
 2150   2HB   ALA 209          2HB       ALA 209  23.068  21.721   1.214
 2151   3HB   ALA 209          3HB       ALA 209  22.182  20.631   0.149
 2152    H    THR 210           H        THR 210  24.223  18.314   0.630
 2153    HA   THR 210           HA       THR 210  24.568  16.808  -1.743
 2154    HB   THR 210           HB       THR 210  23.408  15.026  -0.308
 2155    HG1  THR 210           HG1      THR 210  22.063  16.502   0.806
 2156   1HG2  THR 210          1HG2      THR 210  25.553  16.669   1.070
 2157   2HG2  THR 210          2HG2      THR 210  25.863  15.524  -0.234
 2158   3HG2  THR 210          3HG2      THR 210  25.229  14.952   1.309
 2159    H    LYS 211           H        LYS 211  21.759  18.486  -0.529
 2160    HA   LYS 211           HA       LYS 211  19.563  18.672  -1.380
 2161   1HB   LYS 211          1HB       LYS 211  21.193  19.321  -3.280
 2162   2HB   LYS 211          2HB       LYS 211  20.856  17.725  -3.951
 2163   1HG   LYS 211          1HG       LYS 211  18.334  18.475  -3.563
 2164   2HG   LYS 211          2HG       LYS 211  19.040  20.088  -3.669
 2165   1HD   LYS 211          1HD       LYS 211  20.251  19.033  -5.792
 2166   2HD   LYS 211          2HD       LYS 211  18.856  17.954  -5.759
 2167   1HE   LYS 211          1HE       LYS 211  17.896  19.647  -6.999
 2168   2HE   LYS 211          2HE       LYS 211  17.624  20.366  -5.400
 2169   1HZ   LYS 211          1HZ       LYS 211  19.684  21.533  -5.550
 2170   2HZ   LYS 211          2HZ       LYS 211  18.838  21.839  -6.990
 2171   3HZ   LYS 211          3HZ       LYS 211  20.118  20.724  -6.979
 2172    H    ALA 212           H        ALA 212  19.029  16.661  -0.081
 2173    HA   ALA 212           HA       ALA 212  18.988  14.072  -1.419
 2174   1HB   ALA 212          1HB       ALA 212  17.773  15.248   1.101
 2175   2HB   ALA 212          2HB       ALA 212  19.183  14.196   0.979
 2176   3HB   ALA 212          3HB       ALA 212  17.573  13.553   0.656
 2177    H    ALA 213           H        ALA 213  16.608  12.954  -1.205
 2178    HA   ALA 213           HA       ALA 213  14.394  14.701  -1.999
 2179   1HB   ALA 213          1HB       ALA 213  16.253  13.527  -3.914
 2180   2HB   ALA 213          2HB       ALA 213  14.962  14.695  -4.199
 2181   3HB   ALA 213          3HB       ALA 213  14.606  12.967  -4.207
 2182    H    ARG 214           H        ARG 214  15.316  11.332  -2.803
 2183    HA   ARG 214           HA       ARG 214  13.410  10.246  -0.841
 2184   1HB   ARG 214          1HB       ARG 214  12.776  10.792  -3.653
 2185   2HB   ARG 214          2HB       ARG 214  12.488   9.109  -3.211
 2186   1HG   ARG 214          1HG       ARG 214  10.516   9.836  -2.370
 2187   2HG   ARG 214          2HG       ARG 214  11.470  10.505  -1.045
 2188   1HD   ARG 214          1HD       ARG 214  11.740  12.427  -3.035
 2189   2HD   ARG 214          2HD       ARG 214  10.052  11.907  -3.194
 2190    HE   ARG 214           HE       ARG 214  10.540  12.137  -0.432
 2191   1HH1  ARG 214          1HH1      ARG 214  10.584  14.202  -3.235
 2192   2HH1  ARG 214          2HH1      ARG 214  10.168  15.618  -2.334
 2193   1HH2  ARG 214          1HH2      ARG 214  10.000  13.990   0.714
 2194   2HH2  ARG 214          2HH2      ARG 214   9.839  15.501  -0.115
 2195   1HN   MLZ 215          1HN       MLZ 215  13.123   7.708  -1.704
 2196    HA   MLZ 215           HA       MLZ 215  15.645   6.464  -1.294
 2197   1HB   MLZ 215          1HB       MLZ 215  13.041   5.548  -2.564
 2198   2HB   MLZ 215          2HB       MLZ 215  14.356   4.446  -2.157
 2199   1HG   MLZ 215          1HG       MLZ 215  12.509   5.949  -0.352
 2200   2HG   MLZ 215          2HG       MLZ 215  14.163   5.688   0.202
 2201   1HD   MLZ 215          1HD       MLZ 215  12.365   3.478  -0.834
 2202   2HD   MLZ 215          2HD       MLZ 215  13.939   3.292  -0.061
 2203   1HE   MLZ 215          1HE       MLZ 215  12.142   2.830   1.568
 2204   2HE   MLZ 215          2HE       MLZ 215  11.451   4.435   1.267
 2205    HZ   MLZ 215           HZ       MLZ 215  13.279   5.489   2.179
 2206   1HCM  MLZ 215          1HCM      MLZ 215  12.693   2.977   3.587
 2207   2HCM  MLZ 215          2HCM      MLZ 215  12.311   4.633   4.056
 2208   3HCM  MLZ 215          3HCM      MLZ 215  13.963   4.034   4.201
 2209    H    SER 216           H        SER 216  17.295   5.991  -2.701
 2210    HA   SER 216           HA       SER 216  18.499   5.797  -4.724
 2211   1HB   SER 216          1HB       SER 216  16.527   7.796  -5.823
 2212   2HB   SER 216          2HB       SER 216  17.597   8.260  -4.499
 2213    HG   SER 216           HG       SER 216  19.359   7.705  -5.783
 2214    H    ALA 217           H        ALA 217  16.773   3.704  -4.560
 2215    HA   ALA 217           HA       ALA 217  15.677   2.104  -5.909
 2216   1HB   ALA 217          1HB       ALA 217  14.259   4.137  -7.491
 2217   2HB   ALA 217          2HB       ALA 217  14.203   4.457  -5.757
 2218   3HB   ALA 217          3HB       ALA 217  13.605   2.924  -6.391
 2219    HA   PRO 218           HA       PRO 218  17.593   1.633  -9.822
 2220   1HB   PRO 218          1HB       PRO 218  15.013   1.396 -11.276
 2221   2HB   PRO 218          2HB       PRO 218  16.322   0.212 -11.116
 2222   1HG   PRO 218          1HG       PRO 218  13.974  -0.047  -9.834
 2223   2HG   PRO 218          2HG       PRO 218  15.500  -0.624  -9.153
 2224   1HD   PRO 218          1HD       PRO 218  13.893   1.775  -8.437
 2225   2HD   PRO 218          2HD       PRO 218  14.903   0.736  -7.409
 2226    H    ALA 219           H        ALA 219  17.549   2.532 -12.201
 2227    HA   ALA 219           HA       ALA 219  16.442   5.321 -12.196
 2228   1HB   ALA 219          1HB       ALA 219  19.141   4.351 -13.210
 2229   2HB   ALA 219          2HB       ALA 219  18.889   5.164 -11.666
 2230   3HB   ALA 219          3HB       ALA 219  18.585   6.024 -13.175
 2231    H    THR 220           H        THR 220  15.184   3.056 -13.430
 2232    HA   THR 220           HA       THR 220  15.836   2.596 -16.145
 2233    HB   THR 220           HB       THR 220  14.185   1.332 -14.827
 2234    HG1  THR 220           HG1      THR 220  12.836   2.675 -16.919
 2235   1HG2  THR 220          1HG2      THR 220  12.004   3.260 -15.069
 2236   2HG2  THR 220          2HG2      THR 220  13.314   3.864 -14.054
 2237   3HG2  THR 220          3HG2      THR 220  12.528   2.335 -13.661
 2238    H    GLY 221           H        GLY 221  14.396   3.417 -18.020
 2239   1HA   GLY 221          1HA       GLY 221  14.798   6.135 -18.501
 2240   2HA   GLY 221          2HA       GLY 221  13.568   5.183 -19.328
 2241   1HN   SAH 301          1HN       SAH 301 -11.385  -1.145  -9.436
 2242   2HN   SAH 301          2HN       SAH 301 -10.702  -0.318 -10.758
 2243    HA   SAH 301           HA       SAH 301 -10.523   1.709  -9.333
 2244   1HB   SAH 301          1HB       SAH 301 -11.542  -0.391  -7.401
 2245   2HB   SAH 301          2HB       SAH 301 -10.745   1.082  -6.846
 2246   1HG   SAH 301          1HG       SAH 301 -13.457   0.810  -7.449
 2247   2HG   SAH 301          2HG       SAH 301 -12.787   1.631  -8.856
 2248   1H5*  SAH 301          1H5*      SAH 301 -14.918   2.618  -7.146
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.570   4.172  -6.389
 2250    H4*  SAH 301           H4*      SAH 301 -13.580   4.880  -8.550
 2251    H3*  SAH 301           H3*      SAH 301 -16.319   4.632  -7.699
 2252   *HO3  SAH 301          *HO3      SAH 301 -16.468   6.565  -8.950
 2253    H2*  SAH 301           H2*      SAH 301 -17.304   3.623  -9.435
 2254   *HO2  SAH 301          *HO2      SAH 301 -16.322   5.918 -10.546
 2255    H1*  SAH 301           H1*      SAH 301 -15.153   3.377 -11.342
 2256    H8   SAH 301           H8       SAH 301 -14.654   0.626  -9.107
 2257   1HN6  SAH 301          1HN6      SAH 301 -19.989  -2.006 -10.544
 2258   2HN6  SAH 301          2HN6      SAH 301 -18.756  -1.980  -9.305
 2259    H2   SAH 301           H2       SAH 301 -19.974   2.148 -12.319
 2260   1HN   SAH 302          1HN       SAH 302  11.193  -1.131   9.392
 2261   2HN   SAH 302          2HN       SAH 302  10.492  -0.301  10.699
 2262    HA   SAH 302           HA       SAH 302  10.347   1.720   9.265
 2263   1HB   SAH 302          1HB       SAH 302  11.394  -0.392   7.360
 2264   2HB   SAH 302          2HB       SAH 302  10.613   1.081   6.784
 2265   1HG   SAH 302          1HG       SAH 302  13.312   0.801   7.437
 2266   2HG   SAH 302          2HG       SAH 302  12.622   1.632   8.830
 2267   1H5*  SAH 302          1H5*      SAH 302  14.785   2.602   7.153
 2268   2H5*  SAH 302          2H5*      SAH 302  14.457   4.153   6.382
 2269    H4*  SAH 302           H4*      SAH 302  13.431   4.876   8.521
 2270    H3*  SAH 302           H3*      SAH 302  16.184   4.613   7.722
 2271   *HO3  SAH 302          *HO3      SAH 302  16.317   6.551   8.967
 2272    H2*  SAH 302           H2*      SAH 302  17.132   3.608   9.481
 2273   *HO2  SAH 302          *HO2      SAH 302  16.139   5.913  10.563
 2274    H1*  SAH 302           H1*      SAH 302  14.945   3.380  11.349
 2275    H8   SAH 302           H8       SAH 302  14.477   0.620   9.118
 2276   1HN6  SAH 302          1HN6      SAH 302  19.774  -2.026  10.667
 2277   2HN6  SAH 302          2HN6      SAH 302  18.564  -2.000   9.404
 2278    H2   SAH 302           H2       SAH 302  19.742   2.137  12.422
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  -0.970 -12.161  -9.444
    2   2H    MET   1          2H        MET   1  -0.334 -12.864  -8.035
    3   3H    MET   1          3H        MET   1   0.272 -11.377  -8.590
    4    HA   MET   1           HA       MET   1  -1.222 -11.068  -6.687
    5   1HB   MET   1          1HB       MET   1  -1.964 -10.110  -9.464
    6   2HB   MET   1          2HB       MET   1  -2.676  -9.425  -8.011
    7   1HG   MET   1          1HG       MET   1  -0.099  -9.291  -7.306
    8   2HG   MET   1          2HG       MET   1   0.075  -9.163  -9.047
    9   1HE   MET   1          1HE       MET   1  -0.236  -6.444  -6.103
   10   2HE   MET   1          2HE       MET   1  -0.812  -8.102  -5.929
   11   3HE   MET   1          3HE       MET   1  -1.966  -6.768  -5.982
   12    H    PHE   2           H        PHE   2  -2.008 -13.602  -6.776
   13    HA   PHE   2           HA       PHE   2  -4.877 -13.528  -6.521
   14   1HB   PHE   2          1HB       PHE   2  -5.295 -15.067  -8.520
   15   2HB   PHE   2          2HB       PHE   2  -4.874 -13.406  -8.930
   16    HD1  PHE   2           HD1      PHE   2  -2.826 -12.878 -10.065
   17    HD2  PHE   2           HD2      PHE   2  -3.574 -16.877  -8.687
   18    HE1  PHE   2           HE1      PHE   2  -0.882 -13.691 -11.371
   19    HE2  PHE   2           HE2      PHE   2  -1.628 -17.690  -9.993
   20    HZ   PHE   2           HZ       PHE   2  -0.283 -16.096 -11.334
   21    H    ASN   3           H        ASN   3  -5.443 -15.210  -5.196
   22    HA   ASN   3           HA       ASN   3  -3.619 -17.590  -5.084
   23   1HB   ASN   3          1HB       ASN   3  -4.812 -15.804  -2.968
   24   2HB   ASN   3          2HB       ASN   3  -4.421 -17.477  -2.572
   25   1HD2  ASN   3          1HD2      ASN   3  -2.934 -14.512  -3.974
   26   2HD2  ASN   3          2HD2      ASN   3  -1.362 -14.867  -3.442
   27    H    ASP   4           H        ASP   4  -4.751 -19.549  -4.197
   28    HA   ASP   4           HA       ASP   4  -7.121 -20.210  -5.553
   29   1HB   ASP   4          1HB       ASP   4  -5.915 -21.218  -2.952
   30   2HB   ASP   4          2HB       ASP   4  -7.197 -22.061  -3.822
   31    H    ARG   5           H        ARG   5  -6.733 -18.394  -2.597
   32    HA   ARG   5           HA       ARG   5  -9.488 -18.789  -1.677
   33   1HB   ARG   5          1HB       ARG   5  -7.277 -16.837  -0.929
   34   2HB   ARG   5          2HB       ARG   5  -8.761 -17.078  -0.007
   35   1HG   ARG   5          1HG       ARG   5  -7.258 -19.549  -0.644
   36   2HG   ARG   5          2HG       ARG   5  -6.449 -18.444   0.467
   37   1HD   ARG   5          1HD       ARG   5  -8.890 -18.373   1.576
   38   2HD   ARG   5          2HD       ARG   5  -8.985 -19.983   0.839
   39    HE   ARG   5           HE       ARG   5  -7.369 -20.703   2.404
   40   1HH1  ARG   5          1HH1      ARG   5  -7.262 -17.243   2.043
   41   2HH1  ARG   5          2HH1      ARG   5  -6.069 -17.041   3.280
   42   1HH2  ARG   5          1HH2      ARG   5  -5.822 -20.416   4.004
   43   2HH2  ARG   5          2HH2      ARG   5  -5.258 -18.822   4.383
   44    H    VAL   6           H        VAL   6  -7.662 -16.194  -3.325
   45    HA   VAL   6           HA       VAL   6 -10.227 -15.105  -4.346
   46    HB   VAL   6           HB       VAL   6  -9.590 -12.841  -3.463
   47   1HG1  VAL   6          1HG1      VAL   6 -10.307 -13.256  -1.210
   48   2HG1  VAL   6          2HG1      VAL   6  -9.679 -14.902  -1.246
   49   3HG1  VAL   6          3HG1      VAL   6 -11.089 -14.475  -2.216
   50   1HG2  VAL   6          1HG2      VAL   6  -7.165 -13.229  -3.299
   51   2HG2  VAL   6          2HG2      VAL   6  -7.434 -14.431  -2.036
   52   3HG2  VAL   6          3HG2      VAL   6  -7.816 -12.736  -1.736
   53    H    ILE   7           H        ILE   7  -9.572 -13.009  -5.731
   54    HA   ILE   7           HA       ILE   7  -6.900 -13.285  -6.987
   55    HB   ILE   7           HB       ILE   7  -8.282 -14.945  -8.131
   56   1HG1  ILE   7          1HG1      ILE   7  -8.275 -12.554  -9.968
   57   2HG1  ILE   7          2HG1      ILE   7  -6.765 -13.295  -9.436
   58   1HG2  ILE   7          1HG2      ILE   7 -10.360 -13.162  -7.557
   59   2HG2  ILE   7          2HG2      ILE   7 -10.493 -14.654  -8.488
   60   3HG2  ILE   7          3HG2      ILE   7 -10.220 -13.120  -9.315
   61   1HD1  ILE   7          1HD1      ILE   7  -7.791 -15.526 -10.216
   62   2HD1  ILE   7          2HD1      ILE   7  -7.288 -14.397 -11.474
   63   3HD1  ILE   7          3HD1      ILE   7  -8.994 -14.542 -11.051
   64    H    VAL   8           H        VAL   8  -6.605 -11.509  -8.667
   65    HA   VAL   8           HA       VAL   8  -8.067  -9.066  -7.766
   66    HB   VAL   8           HB       VAL   8  -5.577  -9.232  -7.541
   67   1HG1  VAL   8          1HG1      VAL   8  -5.137  -8.843 -10.433
   68   2HG1  VAL   8          2HG1      VAL   8  -5.678 -10.463  -9.997
   69   3HG1  VAL   8          3HG1      VAL   8  -4.214  -9.799  -9.274
   70   1HG2  VAL   8          1HG2      VAL   8  -6.788  -7.186  -9.406
   71   2HG2  VAL   8          2HG2      VAL   8  -5.105  -7.082  -8.889
   72   3HG2  VAL   8          3HG2      VAL   8  -6.400  -7.012  -7.694
   73    H    LYS   9           H        LYS   9  -9.528  -8.181  -9.140
   74    HA   LYS   9           HA       LYS   9  -9.202  -8.652 -12.077
   75   1HB   LYS   9          1HB       LYS   9 -11.714  -8.628 -10.379
   76   2HB   LYS   9          2HB       LYS   9 -11.692  -8.796 -12.132
   77   1HG   LYS   9          1HG       LYS   9  -9.860 -10.707 -11.192
   78   2HG   LYS   9          2HG       LYS   9 -11.238 -10.812 -10.096
   79   1HD   LYS   9          1HD       LYS   9 -12.727 -10.875 -12.150
   80   2HD   LYS   9          2HD       LYS   9 -11.261 -11.061 -13.113
   81   1HE   LYS   9          1HE       LYS   9 -10.694 -13.126 -11.911
   82   2HE   LYS   9          2HE       LYS   9 -12.110 -12.924 -10.863
   83   1HZ   LYS   9          1HZ       LYS   9 -13.487 -12.865 -12.903
   84   2HZ   LYS   9          2HZ       LYS   9 -12.697 -14.354 -12.692
   85   3HZ   LYS   9          3HZ       LYS   9 -12.108 -13.233 -13.823
   86    H    LYS  10           H        LYS  10  -9.974  -5.169 -12.606
   87    HA   LYS  10           HA       LYS  10  -9.528  -6.182 -14.658
   88   1HB   LYS  10          1HB       LYS  10  -7.788  -7.314 -12.583
   89   2HB   LYS  10          2HB       LYS  10  -7.947  -8.359 -13.995
   90   1HG   LYS  10          1HG       LYS  10  -7.081  -6.732 -15.451
   91   2HG   LYS  10          2HG       LYS  10  -7.437  -5.411 -14.339
   92   1HD   LYS  10          1HD       LYS  10  -5.020  -5.883 -14.375
   93   2HD   LYS  10          2HD       LYS  10  -5.700  -6.257 -12.791
   94   1HE   LYS  10          1HE       LYS  10  -4.588  -8.252 -13.105
   95   2HE   LYS  10          2HE       LYS  10  -6.023  -8.660 -14.065
   96   1HZ   LYS  10          1HZ       LYS  10  -4.049  -8.963 -15.402
   97   2HZ   LYS  10          2HZ       LYS  10  -3.524  -7.385 -15.062
   98   3HZ   LYS  10          3HZ       LYS  10  -4.920  -7.632 -15.997
   99    H    SER  11           H        SER  11 -12.012  -6.825 -14.079
  100    HA   SER  11           HA       SER  11 -12.262  -9.801 -14.208
  101   1HB   SER  11          1HB       SER  11 -14.255  -9.487 -13.059
  102   2HB   SER  11          2HB       SER  11 -13.421  -8.024 -12.544
  103    HG   SER  11           HG       SER  11 -15.598  -7.746 -13.410
  104    HA   PRO  12           HA       PRO  12 -14.080  -9.968 -18.212
  105   1HB   PRO  12          1HB       PRO  12 -16.902 -10.037 -17.258
  106   2HB   PRO  12          2HB       PRO  12 -16.026 -11.211 -18.257
  107   1HG   PRO  12          1HG       PRO  12 -16.623 -11.675 -15.680
  108   2HG   PRO  12          2HG       PRO  12 -15.155 -12.299 -16.443
  109   1HD   PRO  12          1HD       PRO  12 -15.483 -10.063 -14.516
  110   2HD   PRO  12          2HD       PRO  12 -14.116 -11.174 -14.744
  111    H    LEU  13           H        LEU  13 -16.376  -8.051 -16.225
  112    HA   LEU  13           HA       LEU  13 -16.995  -6.217 -18.397
  113   1HB   LEU  13          1HB       LEU  13 -18.289  -6.963 -16.250
  114   2HB   LEU  13          2HB       LEU  13 -17.422  -5.655 -15.479
  115    HG   LEU  13           HG       LEU  13 -18.460  -4.797 -18.036
  116   1HD1  LEU  13          1HD1      LEU  13 -20.236  -6.296 -17.817
  117   2HD1  LEU  13          2HD1      LEU  13 -20.870  -4.827 -17.068
  118   3HD1  LEU  13          3HD1      LEU  13 -20.257  -6.142 -16.060
  119   1HD2  LEU  13          1HD2      LEU  13 -19.710  -3.292 -16.171
  120   2HD2  LEU  13          2HD2      LEU  13 -18.029  -3.025 -16.634
  121   3HD2  LEU  13          3HD2      LEU  13 -18.407  -3.951 -15.181
  122    H    GLY  14           H        GLY  14 -15.127  -5.896 -15.351
  123   1HA   GLY  14          1HA       GLY  14 -12.880  -4.630 -15.973
  124   2HA   GLY  14          2HA       GLY  14 -14.018  -3.341 -16.362
  125    H    GLY  15           H        GLY  15 -12.753  -2.215 -14.585
  126   1HA   GLY  15          1HA       GLY  15 -13.058  -1.227 -12.443
  127   2HA   GLY  15          2HA       GLY  15 -14.228  -2.490 -12.059
  128    H    TYR  16           H        TYR  16 -11.567  -1.399 -10.795
  129    HA   TYR  16           HA       TYR  16 -10.052  -3.952 -10.632
  130   1HB   TYR  16          1HB       TYR  16  -9.445  -1.194 -10.659
  131   2HB   TYR  16          2HB       TYR  16  -9.068  -1.745  -9.027
  132    HD1  TYR  16           HD1      TYR  16  -7.839  -4.130  -8.950
  133    HD2  TYR  16           HD2      TYR  16  -7.795  -1.422 -12.284
  134    HE1  TYR  16           HE1      TYR  16  -5.766  -5.200  -9.792
  135    HE2  TYR  16           HE2      TYR  16  -5.722  -2.492 -13.126
  136    HH   TYR  16           HH       TYR  16  -3.787  -4.439 -11.299
  137    H    GLY  17           H        GLY  17 -11.476  -5.186  -9.277
  138   1HA   GLY  17          1HA       GLY  17 -11.591  -4.225  -6.452
  139   2HA   GLY  17          2HA       GLY  17 -12.967  -5.049  -7.187
  140    H    VAL  18           H        VAL  18 -12.482  -6.572  -5.246
  141    HA   VAL  18           HA       VAL  18 -10.274  -8.465  -6.031
  142    HB   VAL  18           HB       VAL  18  -9.868  -7.492  -3.867
  143   1HG1  VAL  18          1HG1      VAL  18 -11.783  -6.495  -3.078
  144   2HG1  VAL  18          2HG1      VAL  18 -11.831  -7.971  -2.111
  145   3HG1  VAL  18          3HG1      VAL  18 -12.805  -7.840  -3.571
  146   1HG2  VAL  18          1HG2      VAL  18 -10.127 -10.195  -4.210
  147   2HG2  VAL  18          2HG2      VAL  18 -11.172  -9.922  -2.816
  148   3HG2  VAL  18          3HG2      VAL  18  -9.476  -9.438  -2.756
  149    H    PHE  19           H        PHE  19 -10.960 -10.425  -6.779
  150    HA   PHE  19           HA       PHE  19 -13.845 -11.067  -6.647
  151   1HB   PHE  19          1HB       PHE  19 -11.531 -11.594  -8.336
  152   2HB   PHE  19          2HB       PHE  19 -12.403 -13.085  -7.981
  153    HD1  PHE  19           HD1      PHE  19 -14.413 -13.589  -9.102
  154    HD2  PHE  19           HD2      PHE  19 -12.916  -9.563  -9.134
  155    HE1  PHE  19           HE1      PHE  19 -16.176 -12.947 -10.724
  156    HE2  PHE  19           HE2      PHE  19 -14.679  -8.921 -10.756
  157    HZ   PHE  19           HZ       PHE  19 -16.309 -10.612 -11.551
  158    H    ALA  20           H        ALA  20 -14.515 -13.283  -6.012
  159    HA   ALA  20           HA       ALA  20 -12.755 -14.392  -3.851
  160   1HB   ALA  20          1HB       ALA  20 -15.372 -13.316  -3.838
  161   2HB   ALA  20          2HB       ALA  20 -14.569 -14.156  -2.512
  162   3HB   ALA  20          3HB       ALA  20 -15.571 -15.058  -3.648
  163    H    ARG  21           H        ARG  21 -11.777 -16.067  -5.078
  164    HA   ARG  21           HA       ARG  21 -13.157 -17.797  -6.911
  165   1HB   ARG  21          1HB       ARG  21 -10.566 -17.352  -5.912
  166   2HB   ARG  21          2HB       ARG  21 -10.941 -19.015  -5.460
  167   1HG   ARG  21          1HG       ARG  21 -10.213 -19.439  -7.592
  168   2HG   ARG  21          2HG       ARG  21 -11.876 -19.019  -7.995
  169   1HD   ARG  21          1HD       ARG  21 -11.193 -16.679  -8.416
  170   2HD   ARG  21          2HD       ARG  21  -9.519 -17.096  -8.003
  171    HE   ARG  21           HE       ARG  21  -9.340 -18.165 -10.106
  172   1HH1  ARG  21          1HH1      ARG  21 -12.679 -17.738  -9.221
  173   2HH1  ARG  21          2HH1      ARG  21 -13.271 -18.325 -10.736
  174   1HH2  ARG  21          1HH2      ARG  21 -10.131 -18.922 -12.066
  175   2HH2  ARG  21          2HH2      ARG  21 -11.840 -18.991 -12.337
  176    H    LYS  22           H        LYS  22 -13.062 -17.628  -3.445
  177    HA   LYS  22           HA       LYS  22 -14.009 -20.398  -3.069
  178   1HB   LYS  22          1HB       LYS  22 -12.765 -18.261  -1.582
  179   2HB   LYS  22          2HB       LYS  22 -14.097 -18.958  -0.674
  180   1HG   LYS  22          1HG       LYS  22 -13.124 -21.142  -0.775
  181   2HG   LYS  22          2HG       LYS  22 -11.974 -20.647  -2.016
  182   1HD   LYS  22          1HD       LYS  22 -10.637 -20.591  -0.107
  183   2HD   LYS  22          2HD       LYS  22 -11.198 -18.920  -0.180
  184   1HE   LYS  22          1HE       LYS  22 -12.856 -19.306   1.508
  185   2HE   LYS  22          2HE       LYS  22 -12.652 -21.064   1.402
  186   1HZ   LYS  22          1HZ       LYS  22 -10.337 -20.781   2.091
  187   2HZ   LYS  22          2HZ       LYS  22 -11.395 -20.167   3.269
  188   3HZ   LYS  22          3HZ       LYS  22 -10.569 -19.105   2.234
  189    H    SER  23           H        SER  23 -17.339 -19.412  -1.780
  190    HA   SER  23           HA       SER  23 -14.948 -21.162  -1.390
  191   1HB   SER  23          1HB       SER  23 -17.043 -22.204  -2.133
  192   2HB   SER  23          2HB       SER  23 -16.696 -22.708  -0.479
  193    HG   SER  23           HG       SER  23 -18.511 -21.855   0.066
  194    H    PHE  24           H        PHE  24 -16.874 -18.742   0.167
  195    HA   PHE  24           HA       PHE  24 -15.429 -19.268   2.738
  196   1HB   PHE  24          1HB       PHE  24 -16.474 -16.827   1.290
  197   2HB   PHE  24          2HB       PHE  24 -16.098 -16.756   3.011
  198    HD1  PHE  24           HD1      PHE  24 -14.772 -16.562  -0.301
  199    HD2  PHE  24           HD2      PHE  24 -13.748 -17.587   3.743
  200    HE1  PHE  24           HE1      PHE  24 -12.368 -16.284  -0.839
  201    HE2  PHE  24           HE2      PHE  24 -11.343 -17.309   3.204
  202    HZ   PHE  24           HZ       PHE  24 -10.653 -16.657   0.913
  203    H    GLU  25           H        GLU  25 -16.702 -18.517   4.705
  204    HA   GLU  25           HA       GLU  25 -19.542 -19.415   4.452
  205   1HB   GLU  25          1HB       GLU  25 -17.612 -20.373   6.008
  206   2HB   GLU  25          2HB       GLU  25 -18.067 -19.018   7.036
  207   1HG   GLU  25          1HG       GLU  25 -20.487 -20.199   6.186
  208   2HG   GLU  25          2HG       GLU  25 -19.427 -21.525   6.651
  209    H    LYS  26           H        LYS  26 -20.623 -18.263   6.711
  210    HA   LYS  26           HA       LYS  26 -20.942 -15.475   5.886
  211   1HB   LYS  26          1HB       LYS  26 -22.738 -17.054   6.710
  212   2HB   LYS  26          2HB       LYS  26 -22.004 -16.967   8.310
  213   1HG   LYS  26          1HG       LYS  26 -22.361 -14.542   8.368
  214   2HG   LYS  26          2HG       LYS  26 -23.028 -14.584   6.737
  215   1HD   LYS  26          1HD       LYS  26 -24.910 -15.905   7.462
  216   2HD   LYS  26          2HD       LYS  26 -24.191 -16.151   9.054
  217   1HE   LYS  26          1HE       LYS  26 -24.229 -13.375   8.786
  218   2HE   LYS  26          2HE       LYS  26 -25.771 -13.892   8.076
  219   1HZ   LYS  26          1HZ       LYS  26 -24.673 -14.583  10.748
  220   2HZ   LYS  26          2HZ       LYS  26 -25.979 -15.413  10.049
  221   3HZ   LYS  26          3HZ       LYS  26 -26.117 -13.758  10.406
  222    H    GLY  27           H        GLY  27 -18.520 -16.896   7.637
  223   1HA   GLY  27          1HA       GLY  27 -17.827 -14.355   8.925
  224   2HA   GLY  27          2HA       GLY  27 -18.137 -15.679  10.048
  225    H    GLU  28           H        GLU  28 -16.020 -14.566   7.450
  226    HA   GLU  28           HA       GLU  28 -13.864 -16.292   8.538
  227   1HB   GLU  28          1HB       GLU  28 -15.038 -16.406   5.743
  228   2HB   GLU  28          2HB       GLU  28 -13.449 -17.068   6.127
  229   1HG   GLU  28          1HG       GLU  28 -14.729 -18.299   8.059
  230   2HG   GLU  28          2HG       GLU  28 -16.156 -17.973   7.075
  231    H    LEU  29           H        LEU  29 -11.780 -15.455   8.060
  232    HA   LEU  29           HA       LEU  29 -11.723 -12.646   7.183
  233   1HB   LEU  29          1HB       LEU  29 -10.494 -13.846   9.150
  234   2HB   LEU  29          2HB       LEU  29  -9.384 -14.424   7.909
  235    HG   LEU  29           HG       LEU  29  -8.589 -12.330   8.981
  236   1HD1  LEU  29          1HD1      LEU  29  -8.399 -12.984   6.406
  237   2HD1  LEU  29          2HD1      LEU  29  -7.785 -11.443   7.003
  238   3HD1  LEU  29          3HD1      LEU  29  -9.358 -11.517   6.209
  239   1HD2  LEU  29          1HD2      LEU  29 -11.289 -11.593   8.776
  240   2HD2  LEU  29          2HD2      LEU  29 -10.442 -10.546   7.637
  241   3HD2  LEU  29          3HD2      LEU  29  -9.959 -10.577   9.333
  242    H    VAL  30           H        VAL  30 -11.361 -12.113   5.072
  243    HA   VAL  30           HA       VAL  30 -10.496 -14.134   3.127
  244    HB   VAL  30           HB       VAL  30 -11.062 -11.150   2.933
  245   1HG1  VAL  30          1HG1      VAL  30 -11.508 -11.815   0.495
  246   2HG1  VAL  30          2HG1      VAL  30 -10.656 -13.315   0.862
  247   3HG1  VAL  30          3HG1      VAL  30  -9.818 -11.769   0.997
  248   1HG2  VAL  30          1HG2      VAL  30 -12.798 -13.596   2.491
  249   2HG2  VAL  30          2HG2      VAL  30 -13.258 -11.963   2.010
  250   3HG2  VAL  30          3HG2      VAL  30 -13.021 -12.346   3.715
  251    H    GLU  31           H        GLU  31  -9.234 -10.951   4.196
  252    HA   GLU  31           HA       GLU  31  -6.471 -11.924   4.056
  253   1HB   GLU  31          1HB       GLU  31  -5.858 -10.357   2.229
  254   2HB   GLU  31          2HB       GLU  31  -7.078 -11.508   1.684
  255   1HG   GLU  31          1HG       GLU  31  -8.640  -9.491   2.693
  256   2HG   GLU  31          2HG       GLU  31  -7.274  -8.586   2.041
  257    H    GLU  32           H        GLU  32  -4.969  -9.848   4.350
  258    HA   GLU  32           HA       GLU  32  -6.220  -7.561   5.679
  259   1HB   GLU  32          1HB       GLU  32  -5.262  -8.146   7.911
  260   2HB   GLU  32          2HB       GLU  32  -6.442  -9.341   7.371
  261   1HG   GLU  32          1HG       GLU  32  -4.369 -10.563   6.352
  262   2HG   GLU  32          2HG       GLU  32  -3.441  -9.561   7.468
  263    H    CYS  33           H        CYS  33  -4.684  -5.888   6.056
  264    HA   CYS  33           HA       CYS  33  -1.815  -6.468   5.534
  265   1HB   CYS  33          1HB       CYS  33  -3.498  -5.752   3.498
  266   2HB   CYS  33          2HB       CYS  33  -2.965  -4.165   4.052
  267    HG   CYS  33           HG       CYS  33  -0.468  -5.609   3.845
  268    H    LEU  34           H        LEU  34  -1.097  -3.717   5.237
  269    HA   LEU  34           HA       LEU  34  -1.720  -2.719   7.990
  270   1HB   LEU  34          1HB       LEU  34   0.592  -2.135   6.103
  271   2HB   LEU  34          2HB       LEU  34   0.474  -1.617   7.784
  272    HG   LEU  34           HG       LEU  34   0.548  -4.496   6.825
  273   1HD1  LEU  34          1HD1      LEU  34   2.597  -2.605   7.944
  274   2HD1  LEU  34          2HD1      LEU  34   2.758  -3.769   6.629
  275   3HD1  LEU  34          3HD1      LEU  34   2.721  -4.328   8.301
  276   1HD2  LEU  34          1HD2      LEU  34  -0.023  -3.187   9.437
  277   2HD2  LEU  34          2HD2      LEU  34   1.021  -4.608   9.476
  278   3HD2  LEU  34          3HD2      LEU  34  -0.603  -4.726   8.799
  279    H    CYS  35           H        CYS  35  -1.269  -0.143   7.953
  280    HA   CYS  35           HA       CYS  35  -2.507   1.091   5.537
  281   1HB   CYS  35          1HB       CYS  35  -3.513   1.273   8.403
  282   2HB   CYS  35          2HB       CYS  35  -4.148   2.222   7.062
  283    HG   CYS  35           HG       CYS  35  -5.519   0.277   6.397
  284    H    ILE  36           H        ILE  36  -2.558   3.597   5.918
  285    HA   ILE  36           HA       ILE  36  -0.033   4.371   7.366
  286    HB   ILE  36           HB       ILE  36  -1.381   5.606   4.935
  287   1HG1  ILE  36          1HG1      ILE  36   1.121   3.903   5.161
  288   2HG1  ILE  36          2HG1      ILE  36  -0.415   3.374   4.477
  289   1HG2  ILE  36          1HG2      ILE  36   1.453   6.139   5.697
  290   2HG2  ILE  36          2HG2      ILE  36   0.198   6.919   6.660
  291   3HG2  ILE  36          3HG2      ILE  36   0.280   7.203   4.922
  292   1HD1  ILE  36          1HD1      ILE  36  -0.209   4.765   2.604
  293   2HD1  ILE  36          2HD1      ILE  36   1.459   4.259   2.871
  294   3HD1  ILE  36          3HD1      ILE  36   0.923   5.849   3.412
  295    H    VAL  37           H        VAL  37  -0.403   5.716   9.097
  296    HA   VAL  37           HA       VAL  37  -3.084   6.982   9.336
  297    HB   VAL  37           HB       VAL  37  -0.795   6.714  11.321
  298   1HG1  VAL  37          1HG1      VAL  37  -3.748   7.071  11.867
  299   2HG1  VAL  37          2HG1      VAL  37  -2.653   8.446  11.700
  300   3HG1  VAL  37          3HG1      VAL  37  -2.402   7.271  12.991
  301   1HG2  VAL  37          1HG2      VAL  37  -1.867   4.725  12.133
  302   2HG2  VAL  37          2HG2      VAL  37  -1.736   4.532  10.385
  303   3HG2  VAL  37          3HG2      VAL  37  -3.277   4.993  11.108
  304    H    ARG  38           H        ARG  38  -2.984   8.897   8.137
  305    HA   ARG  38           HA       ARG  38  -0.811  10.837   8.882
  306   1HB   ARG  38          1HB       ARG  38  -2.275  10.196   6.322
  307   2HB   ARG  38          2HB       ARG  38  -1.508  11.768   6.541
  308   1HG   ARG  38          1HG       ARG  38  -0.147   9.064   6.742
  309   2HG   ARG  38          2HG       ARG  38   0.059  10.241   5.446
  310   1HD   ARG  38          1HD       ARG  38   1.757  11.115   6.672
  311   2HD   ARG  38          2HD       ARG  38   0.559  11.670   7.830
  312    HE   ARG  38           HE       ARG  38   1.246   8.839   8.114
  313   1HH1  ARG  38          1HH1      ARG  38   2.058  12.110   8.991
  314   2HH1  ARG  38          2HH1      ARG  38   2.859  11.637  10.448
  315   1HH2  ARG  38          1HH2      ARG  38   2.291   8.251  10.011
  316   2HH2  ARG  38          2HH2      ARG  38   2.991   9.469  11.024
  317    H    HIS  39           H        HIS  39  -1.841  13.170   8.023
  318    HA   HIS  39           HA       HIS  39  -4.333  13.485   9.643
  319   1HB   HIS  39          1HB       HIS  39  -2.213  15.438   8.669
  320   2HB   HIS  39          2HB       HIS  39  -3.569  15.862   9.714
  321    HD1  HIS  39           HD1      HIS  39  -0.163  15.281  10.072
  322    HD2  HIS  39           HD2      HIS  39  -3.476  13.678  12.029
  323    HE1  HIS  39           HE1      HIS  39   0.683  14.357  12.273
  324    H    ASN  40           H        ASN  40  -5.238  15.894   8.604
  325    HA   ASN  40           HA       ASN  40  -6.363  15.018   6.009
  326   1HB   ASN  40          1HB       ASN  40  -6.925  17.405   7.811
  327   2HB   ASN  40          2HB       ASN  40  -7.938  16.864   6.473
  328   1HD2  ASN  40          1HD2      ASN  40  -8.094  16.862   9.678
  329   2HD2  ASN  40          2HD2      ASN  40  -8.757  15.330   9.987
  330    H    ASP  41           H        ASP  41  -6.773  18.081   5.501
  331    HA   ASP  41           HA       ASP  41  -5.729  19.719   4.181
  332   1HB   ASP  41          1HB       ASP  41  -3.270  18.640   5.611
  333   2HB   ASP  41          2HB       ASP  41  -3.437  20.236   4.885
  334    H    ASP  42           H        ASP  42  -2.749  19.167   3.368
  335    HA   ASP  42           HA       ASP  42  -3.066  18.412   0.737
  336   1HB   ASP  42          1HB       ASP  42  -0.839  17.838   2.717
  337   2HB   ASP  42          2HB       ASP  42  -0.652  17.631   0.975
  338    H    TRP  43           H        TRP  43  -2.647  16.171   3.491
  339    HA   TRP  43           HA       TRP  43  -2.391  13.753   2.030
  340   1HB   TRP  43          1HB       TRP  43  -2.042  14.006   4.454
  341   2HB   TRP  43          2HB       TRP  43  -3.752  14.374   4.679
  342    HD1  TRP  43           HD1      TRP  43  -5.319  12.395   5.074
  343    HE1  TRP  43           HE1      TRP  43  -5.104   9.831   4.921
  344    HE3  TRP  43           HE3      TRP  43  -0.675  12.024   2.985
  345    HZ2  TRP  43           HZ2      TRP  43  -3.212   7.880   4.029
  346    HZ3  TRP  43           HZ3      TRP  43   0.307   9.803   2.493
  347    HH2  TRP  43           HH2      TRP  43  -0.954   7.732   3.012
  348    H    GLY  44           H        GLY  44  -5.342  15.400   3.204
  349   1HA   GLY  44          1HA       GLY  44  -7.157  13.434   2.142
  350   2HA   GLY  44          2HA       GLY  44  -7.595  15.070   2.631
  351    H    THR  45           H        THR  45  -5.419  16.080   0.712
  352    HA   THR  45           HA       THR  45  -7.198  16.278  -1.624
  353    HB   THR  45           HB       THR  45  -4.409  17.392  -1.179
  354    HG1  THR  45           HG1      THR  45  -5.721  19.250  -0.442
  355   1HG2  THR  45          1HG2      THR  45  -6.763  18.489  -2.740
  356   2HG2  THR  45          2HG2      THR  45  -5.462  17.544  -3.465
  357   3HG2  THR  45          3HG2      THR  45  -5.112  19.109  -2.731
  358    H    ALA  46           H        ALA  46  -3.694  15.550  -1.315
  359    HA   ALA  46           HA       ALA  46  -3.367  14.424  -3.891
  360   1HB   ALA  46          1HB       ALA  46  -1.454  15.015  -2.604
  361   2HB   ALA  46          2HB       ALA  46  -1.407  13.253  -2.650
  362   3HB   ALA  46          3HB       ALA  46  -2.003  14.082  -1.212
  363    H    LEU  47           H        LEU  47  -3.785  12.655  -0.792
  364    HA   LEU  47           HA       LEU  47  -4.365  10.170  -2.282
  365   1HB   LEU  47          1HB       LEU  47  -3.986  10.988   0.610
  366   2HB   LEU  47          2HB       LEU  47  -4.549   9.372   0.191
  367    HG   LEU  47           HG       LEU  47  -2.133   9.313   0.454
  368   1HD1  LEU  47          1HD1      LEU  47  -2.250   9.330  -2.507
  369   2HD1  LEU  47          2HD1      LEU  47  -3.463   8.334  -1.705
  370   3HD1  LEU  47          3HD1      LEU  47  -1.749   8.047  -1.406
  371   1HD2  LEU  47          1HD2      LEU  47  -1.913  11.348  -1.769
  372   2HD2  LEU  47          2HD2      LEU  47  -0.638  10.758  -0.703
  373   3HD2  LEU  47          3HD2      LEU  47  -1.902  11.810  -0.067
  374    H    GLU  48           H        GLU  48  -6.355  11.945  -2.902
  375    HA   GLU  48           HA       GLU  48  -8.604  11.594  -1.013
  376   1HB   GLU  48          1HB       GLU  48  -9.727  13.092  -2.651
  377   2HB   GLU  48          2HB       GLU  48  -8.150  13.735  -2.191
  378   1HG   GLU  48          1HG       GLU  48  -7.617  13.787  -4.380
  379   2HG   GLU  48          2HG       GLU  48  -7.649  12.024  -4.367
  380    H    ASP  49           H        ASP  49  -8.002   9.081  -1.738
  381    HA   ASP  49           HA       ASP  49 -10.292   8.281  -3.418
  382   1HB   ASP  49          1HB       ASP  49  -7.481   8.391  -4.304
  383   2HB   ASP  49          2HB       ASP  49  -8.242   6.824  -4.578
  384    H    TYR  50           H        TYR  50  -7.266   6.556  -2.691
  385    HA   TYR  50           HA       TYR  50  -8.811   4.421  -1.341
  386   1HB   TYR  50          1HB       TYR  50  -5.810   4.619  -1.755
  387   2HB   TYR  50          2HB       TYR  50  -6.784   3.159  -1.602
  388    HD1  TYR  50           HD1      TYR  50  -4.816   4.335  -3.890
  389    HD2  TYR  50           HD2      TYR  50  -9.068   3.896  -3.437
  390    HE1  TYR  50           HE1      TYR  50  -5.072   4.269  -6.355
  391    HE2  TYR  50           HE2      TYR  50  -9.321   3.831  -5.903
  392    HH   TYR  50           HH       TYR  50  -7.579   3.111  -7.911
  393    H    LEU  51           H        LEU  51  -8.924   6.773   0.139
  394    HA   LEU  51           HA       LEU  51  -6.924   6.360   2.332
  395   1HB   LEU  51          1HB       LEU  51  -7.368   8.537   0.775
  396   2HB   LEU  51          2HB       LEU  51  -8.521   8.865   2.067
  397    HG   LEU  51           HG       LEU  51  -6.671   8.514   3.726
  398   1HD1  LEU  51          1HD1      LEU  51  -4.807   7.485   2.988
  399   2HD1  LEU  51          2HD1      LEU  51  -4.423   8.950   2.084
  400   3HD1  LEU  51          3HD1      LEU  51  -5.327   7.647   1.310
  401   1HD2  LEU  51          1HD2      LEU  51  -6.953  10.694   1.794
  402   2HD2  LEU  51          2HD2      LEU  51  -5.329  10.611   2.481
  403   3HD2  LEU  51          3HD2      LEU  51  -6.727  10.768   3.544
  404    H    PHE  52           H        PHE  52  -7.939   5.176   3.927
  405    HA   PHE  52           HA       PHE  52 -10.810   5.612   4.533
  406   1HB   PHE  52          1HB       PHE  52  -8.618   3.689   5.274
  407   2HB   PHE  52          2HB       PHE  52 -10.019   3.819   6.337
  408    HD1  PHE  52           HD1      PHE  52 -12.203   3.045   5.647
  409    HD2  PHE  52           HD2      PHE  52  -8.886   2.969   2.919
  410    HE1  PHE  52           HE1      PHE  52 -13.514   1.624   4.093
  411    HE2  PHE  52           HE2      PHE  52 -10.196   1.549   1.365
  412    HZ   PHE  52           HZ       PHE  52 -12.510   0.876   1.952
  413    H    SER  53           H        SER  53 -11.062   7.545   5.663
  414    HA   SER  53           HA       SER  53  -9.041   8.284   7.710
  415   1HB   SER  53          1HB       SER  53  -9.913  10.464   7.422
  416   2HB   SER  53          2HB       SER  53 -10.088   9.756   5.816
  417    HG   SER  53           HG       SER  53 -11.973  10.821   7.162
  418    H    ARG  54           H        ARG  54  -9.795   9.025   9.836
  419    HA   ARG  54           HA       ARG  54 -12.360   7.741  10.709
  420   1HB   ARG  54          1HB       ARG  54  -9.694   7.052  11.325
  421   2HB   ARG  54          2HB       ARG  54 -10.294   7.893  12.755
  422   1HG   ARG  54          1HG       ARG  54 -12.355   6.402  12.614
  423   2HG   ARG  54          2HG       ARG  54 -11.482   5.457  11.407
  424   1HD   ARG  54          1HD       ARG  54 -10.937   4.327  13.402
  425   2HD   ARG  54          2HD       ARG  54  -9.570   5.446  13.240
  426    HE   ARG  54           HE       ARG  54 -11.681   6.804  14.591
  427   1HH1  ARG  54          1HH1      ARG  54  -9.447   4.180  15.078
  428   2HH1  ARG  54          2HH1      ARG  54  -9.405   4.388  16.794
  429   1HH2  ARG  54          1HH2      ARG  54 -11.611   7.054  16.820
  430   2HH2  ARG  54          2HH2      ARG  54 -10.621   6.002  17.775
  431    H    LYS  55           H        LYS  55 -12.651   8.652  13.191
  432    HA   LYS  55           HA       LYS  55 -13.014  11.528  12.864
  433   1HB   LYS  55          1HB       LYS  55 -13.801   9.319  14.667
  434   2HB   LYS  55          2HB       LYS  55 -13.625  10.875  15.480
  435   1HG   LYS  55          1HG       LYS  55 -15.289  11.889  14.173
  436   2HG   LYS  55          2HG       LYS  55 -15.148  10.687  12.891
  437   1HD   LYS  55          1HD       LYS  55 -16.560   9.231  13.931
  438   2HD   LYS  55          2HD       LYS  55 -15.917   9.601  15.531
  439   1HE   LYS  55          1HE       LYS  55 -17.412  11.820  14.255
  440   2HE   LYS  55          2HE       LYS  55 -18.387  10.405  14.691
  441   1HZ   LYS  55          1HZ       LYS  55 -18.130  11.935  16.572
  442   2HZ   LYS  55          2HZ       LYS  55 -16.442  11.780  16.476
  443   3HZ   LYS  55          3HZ       LYS  55 -17.395  10.438  16.892
  444    H    ASN  56           H        ASN  56 -10.762  12.176  12.709
  445    HA   ASN  56           HA       ASN  56  -9.025  11.778  15.064
  446   1HB   ASN  56          1HB       ASN  56  -9.712  14.577  14.168
  447   2HB   ASN  56          2HB       ASN  56 -10.730  13.741  15.341
  448   1HD2  ASN  56          1HD2      ASN  56  -8.519  16.039  15.445
  449   2HD2  ASN  56          2HD2      ASN  56  -7.612  15.594  16.809
  450    H    MET  57           H        MET  57  -9.140  11.399  11.979
  451    HA   MET  57           HA       MET  57  -7.198  13.200  10.824
  452   1HB   MET  57          1HB       MET  57  -5.241  11.667  10.972
  453   2HB   MET  57          2HB       MET  57  -5.797  12.145  12.575
  454   1HG   MET  57          1HG       MET  57  -7.301   9.854  11.870
  455   2HG   MET  57          2HG       MET  57  -5.632   9.499  11.429
  456   1HE   MET  57          1HE       MET  57  -4.278  11.635  13.942
  457   2HE   MET  57          2HE       MET  57  -3.761  10.407  12.785
  458   3HE   MET  57          3HE       MET  57  -3.596  10.113  14.516
  459    H    SER  58           H        SER  58  -5.893  11.603   9.044
  460    HA   SER  58           HA       SER  58  -8.011   9.922   7.752
  461   1HB   SER  58          1HB       SER  58  -6.353  12.223   6.716
  462   2HB   SER  58          2HB       SER  58  -6.966  11.003   5.599
  463    HG   SER  58           HG       SER  58  -8.879  11.816   5.788
  464    H    ALA  59           H        ALA  59  -7.201   7.961   7.005
  465    HA   ALA  59           HA       ALA  59  -4.216   7.689   6.879
  466   1HB   ALA  59          1HB       ALA  59  -4.934   6.614   8.878
  467   2HB   ALA  59          2HB       ALA  59  -4.808   5.293   7.715
  468   3HB   ALA  59          3HB       ALA  59  -6.387   5.976   8.108
  469    H    MET  60           H        MET  60  -3.546   5.748   5.539
  470    HA   MET  60           HA       MET  60  -5.219   5.589   3.081
  471   1HB   MET  60          1HB       MET  60  -2.761   6.201   3.076
  472   2HB   MET  60          2HB       MET  60  -2.413   4.574   3.665
  473   1HG   MET  60          1HG       MET  60  -2.991   3.575   1.662
  474   2HG   MET  60          2HG       MET  60  -4.135   4.848   1.236
  475   1HE   MET  60          1HE       MET  60  -2.397   6.219  -1.558
  476   2HE   MET  60          2HE       MET  60  -3.476   6.931  -0.359
  477   3HE   MET  60          3HE       MET  60  -3.718   5.265  -0.884
  478    H    ALA  61           H        ALA  61  -5.296   3.349   2.039
  479    HA   ALA  61           HA       ALA  61  -6.234   1.419   4.025
  480   1HB   ALA  61          1HB       ALA  61  -6.590   2.086   1.266
  481   2HB   ALA  61          2HB       ALA  61  -7.531   0.947   2.229
  482   3HB   ALA  61          3HB       ALA  61  -6.112   0.390   1.343
  483    H    LEU  62           H        LEU  62  -3.755   1.215   1.401
  484    HA   LEU  62           HA       LEU  62  -2.143  -0.546   3.163
  485   1HB   LEU  62          1HB       LEU  62  -0.997  -0.173   0.575
  486   2HB   LEU  62          2HB       LEU  62  -1.674   1.358   1.071
  487    HG   LEU  62           HG       LEU  62  -0.460   0.422   3.382
  488   1HD1  LEU  62          1HD1      LEU  62   0.613  -1.004   1.260
  489   2HD1  LEU  62          2HD1      LEU  62   1.370  -0.782   2.838
  490   3HD1  LEU  62          3HD1      LEU  62   1.765   0.303   1.505
  491   1HD2  LEU  62          1HD2      LEU  62   0.957   2.321   3.112
  492   2HD2  LEU  62          2HD2      LEU  62  -0.543   2.751   2.288
  493   3HD2  LEU  62          3HD2      LEU  62   0.861   2.235   1.352
  494    H    GLY  63           H        GLY  63  -3.696  -2.386   3.002
  495   1HA   GLY  63          1HA       GLY  63  -2.893  -4.277   0.996
  496   2HA   GLY  63          2HA       GLY  63  -4.215  -4.506   2.139
  497    H    PHE  64           H        PHE  64  -5.749  -5.288   0.679
  498    HA   PHE  64           HA       PHE  64  -6.270  -3.970  -1.880
  499   1HB   PHE  64          1HB       PHE  64  -7.418  -6.222  -0.234
  500   2HB   PHE  64          2HB       PHE  64  -8.283  -5.647  -1.659
  501    HD1  PHE  64           HD1      PHE  64  -4.736  -6.440  -0.693
  502    HD2  PHE  64           HD2      PHE  64  -7.841  -6.778  -3.642
  503    HE1  PHE  64           HE1      PHE  64  -3.213  -7.752  -2.147
  504    HE2  PHE  64           HE2      PHE  64  -6.318  -8.089  -5.095
  505    HZ   PHE  64           HZ       PHE  64  -4.004  -8.576  -4.348
  506    H    GLY  65           H        GLY  65  -6.512  -1.917  -0.160
  507   1HA   GLY  65          1HA       GLY  65  -9.316  -1.690   0.743
  508   2HA   GLY  65          2HA       GLY  65  -8.042  -0.502   1.020
  509    H    ALA  66           H        ALA  66  -7.123  -0.161  -1.615
  510    HA   ALA  66           HA       ALA  66  -9.000   1.730  -2.654
  511   1HB   ALA  66          1HB       ALA  66  -6.666   0.259  -3.932
  512   2HB   ALA  66          2HB       ALA  66  -6.558   1.761  -3.015
  513   3HB   ALA  66          3HB       ALA  66  -7.398   1.733  -4.565
  514    H    ILE  67           H        ILE  67  -8.122  -1.548  -3.799
  515    HA   ILE  67           HA       ILE  67  -9.718  -1.748  -6.061
  516    HB   ILE  67           HB       ILE  67  -9.777  -4.202  -5.470
  517   1HG1  ILE  67          1HG1      ILE  67  -8.354  -4.707  -3.360
  518   2HG1  ILE  67          2HG1      ILE  67  -8.793  -3.080  -2.849
  519   1HG2  ILE  67          1HG2      ILE  67  -7.406  -4.483  -5.645
  520   2HG2  ILE  67          2HG2      ILE  67  -7.100  -2.930  -4.867
  521   3HG2  ILE  67          3HG2      ILE  67  -7.790  -2.983  -6.489
  522   1HD1  ILE  67          1HD1      ILE  67 -10.888  -3.724  -2.311
  523   2HD1  ILE  67          2HD1      ILE  67 -10.314  -5.381  -2.484
  524   3HD1  ILE  67          3HD1      ILE  67 -11.094  -4.572  -3.844
  525    H    PHE  68           H        PHE  68 -10.848  -1.594  -2.743
  526    HA   PHE  68           HA       PHE  68 -13.330  -2.869  -2.863
  527   1HB   PHE  68          1HB       PHE  68 -12.256  -0.393  -1.535
  528   2HB   PHE  68          2HB       PHE  68 -13.961  -0.784  -1.348
  529    HD1  PHE  68           HD1      PHE  68 -13.900  -3.759  -1.295
  530    HD2  PHE  68           HD2      PHE  68 -11.304  -0.886   0.570
  531    HE1  PHE  68           HE1      PHE  68 -13.315  -5.416   0.449
  532    HE2  PHE  68           HE2      PHE  68 -10.722  -2.546   2.313
  533    HZ   PHE  68           HZ       PHE  68 -11.728  -4.810   2.254
  534    H    ASN  69           H        ASN  69 -14.819  -2.706  -4.486
  535    HA   ASN  69           HA       ASN  69 -15.160  -0.103  -5.895
  536   1HB   ASN  69          1HB       ASN  69 -15.917  -2.989  -6.449
  537   2HB   ASN  69          2HB       ASN  69 -16.409  -1.660  -7.497
  538   1HD2  ASN  69          1HD2      ASN  69 -14.819  -3.478  -8.747
  539   2HD2  ASN  69          2HD2      ASN  69 -13.228  -2.905  -8.911
  540    H    HIS  70           H        HIS  70 -17.710  -0.374  -6.860
  541    HA   HIS  70           HA       HIS  70 -19.351   0.117  -4.441
  542   1HB   HIS  70          1HB       HIS  70 -19.029   1.479  -6.724
  543   2HB   HIS  70          2HB       HIS  70 -20.312   0.400  -7.269
  544    HD1  HIS  70           HD1      HIS  70 -20.186   3.638  -6.223
  545    HD2  HIS  70           HD2      HIS  70 -22.262   0.376  -4.666
  546    HE1  HIS  70           HE1      HIS  70 -22.101   4.588  -4.868
  547    H    SER  71           H        SER  71 -21.132  -1.163  -3.903
  548    HA   SER  71           HA       SER  71 -22.170  -3.175  -5.790
  549   1HB   SER  71          1HB       SER  71 -19.979  -3.836  -4.309
  550   2HB   SER  71          2HB       SER  71 -21.261  -4.304  -3.193
  551    HG   SER  71           HG       SER  71 -21.764  -5.900  -4.450
  552    H    LYS  72           H        LYS  72 -24.273  -3.800  -5.211
  553    HA   LYS  72           HA       LYS  72 -25.549  -2.257  -3.053
  554   1HB   LYS  72          1HB       LYS  72 -26.572  -2.510  -5.273
  555   2HB   LYS  72          2HB       LYS  72 -26.558  -4.266  -5.102
  556   1HG   LYS  72          1HG       LYS  72 -28.769  -3.610  -4.517
  557   2HG   LYS  72          2HG       LYS  72 -27.960  -3.890  -2.976
  558   1HD   LYS  72          1HD       LYS  72 -29.078  -1.802  -2.720
  559   2HD   LYS  72          2HD       LYS  72 -27.385  -1.394  -3.000
  560   1HE   LYS  72          1HE       LYS  72 -28.559   0.049  -4.478
  561   2HE   LYS  72          2HE       LYS  72 -28.072  -1.299  -5.522
  562   1HZ   LYS  72          1HZ       LYS  72 -30.650  -1.149  -4.046
  563   2HZ   LYS  72          2HZ       LYS  72 -30.185  -2.352  -5.151
  564   3HZ   LYS  72          3HZ       LYS  72 -30.470  -0.767  -5.691
  565    H    ASP  73           H        ASP  73 -24.297  -5.465  -3.518
  566    HA   ASP  73           HA       ASP  73 -25.591  -6.314  -0.946
  567   1HB   ASP  73          1HB       ASP  73 -25.504  -8.605  -1.941
  568   2HB   ASP  73          2HB       ASP  73 -26.453  -7.498  -2.932
  569    HA   PRO  74           HA       PRO  74 -20.927  -6.110  -0.549
  570   1HB   PRO  74          1HB       PRO  74 -21.734  -5.459   2.241
  571   2HB   PRO  74          2HB       PRO  74 -20.559  -4.644   1.194
  572   1HG   PRO  74          1HG       PRO  74 -22.961  -3.585   1.762
  573   2HG   PRO  74          2HG       PRO  74 -22.152  -3.331   0.210
  574   1HD   PRO  74          1HD       PRO  74 -24.466  -5.073   0.876
  575   2HD   PRO  74          2HD       PRO  74 -24.094  -4.204  -0.628
  576    H    ASN  75           H        ASN  75 -20.481  -8.314  -0.572
  577    HA   ASN  75           HA       ASN  75 -21.703 -10.134   1.388
  578   1HB   ASN  75          1HB       ASN  75 -20.413 -11.808   0.085
  579   2HB   ASN  75          2HB       ASN  75 -21.309 -10.731  -0.986
  580   1HD2  ASN  75          1HD2      ASN  75 -19.191 -11.926  -2.204
  581   2HD2  ASN  75          2HD2      ASN  75 -17.876 -10.864  -2.364
  582    H    ALA  76           H        ALA  76 -18.873  -8.173   1.242
  583    HA   ALA  76           HA       ALA  76 -17.822  -9.548   3.673
  584   1HB   ALA  76          1HB       ALA  76 -15.513  -9.054   2.448
  585   2HB   ALA  76          2HB       ALA  76 -16.521  -9.099   1.001
  586   3HB   ALA  76          3HB       ALA  76 -16.431 -10.509   2.058
  587    H    ARG  77           H        ARG  77 -16.947  -8.100   5.165
  588    HA   ARG  77           HA       ARG  77 -16.979  -5.206   4.378
  589   1HB   ARG  77          1HB       ARG  77 -18.129  -6.752   6.513
  590   2HB   ARG  77          2HB       ARG  77 -16.977  -5.612   7.208
  591   1HG   ARG  77          1HG       ARG  77 -18.083  -3.820   5.762
  592   2HG   ARG  77          2HG       ARG  77 -19.355  -4.999   5.441
  593   1HD   ARG  77          1HD       ARG  77 -18.623  -4.652   8.303
  594   2HD   ARG  77          2HD       ARG  77 -19.456  -3.284   7.541
  595    HE   ARG  77           HE       ARG  77 -20.755  -5.692   6.733
  596   1HH1  ARG  77          1HH1      ARG  77 -20.249  -3.741   9.571
  597   2HH1  ARG  77          2HH1      ARG  77 -21.739  -4.225  10.304
  598   1HH2  ARG  77          1HH2      ARG  77 -22.683  -6.305   7.704
  599   2HH2  ARG  77          2HH2      ARG  77 -23.109  -5.666   9.256
  600    H    HIS  78           H        HIS  78 -15.485  -4.000   6.188
  601    HA   HIS  78           HA       HIS  78 -12.853  -5.444   6.210
  602   1HB   HIS  78          1HB       HIS  78 -11.885  -3.181   5.788
  603   2HB   HIS  78          2HB       HIS  78 -13.006  -3.657   4.512
  604    HD1  HIS  78           HD1      HIS  78 -15.358  -2.492   4.487
  605    HD2  HIS  78           HD2      HIS  78 -12.737  -0.987   7.358
  606    HE1  HIS  78           HE1      HIS  78 -16.366  -0.318   5.308
  607    H    GLU  79           H        GLU  79 -11.383  -4.691   7.962
  608    HA   GLU  79           HA       GLU  79 -12.816  -3.451  10.282
  609   1HB   GLU  79          1HB       GLU  79 -12.770  -5.925  10.456
  610   2HB   GLU  79          2HB       GLU  79 -11.018  -5.906  10.255
  611   1HG   GLU  79          1HG       GLU  79 -11.493  -6.070  12.624
  612   2HG   GLU  79          2HG       GLU  79 -10.874  -4.450  12.305
  613    H    LEU  80           H        LEU  80 -11.380  -2.336  11.766
  614    HA   LEU  80           HA       LEU  80  -8.591  -1.927  10.762
  615   1HB   LEU  80          1HB       LEU  80  -9.972  -0.076  10.021
  616   2HB   LEU  80          2HB       LEU  80 -10.719   0.071  11.611
  617    HG   LEU  80           HG       LEU  80  -8.474   0.627  12.554
  618   1HD1  LEU  80          1HD1      LEU  80  -6.594   0.458  11.312
  619   2HD1  LEU  80          2HD1      LEU  80  -7.306   1.395   9.998
  620   3HD1  LEU  80          3HD1      LEU  80  -7.578  -0.346  10.088
  621   1HD2  LEU  80          1HD2      LEU  80 -10.251   2.288  11.484
  622   2HD2  LEU  80          2HD2      LEU  80  -8.955   2.565  10.320
  623   3HD2  LEU  80          3HD2      LEU  80  -8.684   2.881  12.034
  624    H    THR  81           H        THR  81  -7.048  -1.828  12.409
  625    HA   THR  81           HA       THR  81  -7.841  -2.678  15.085
  626    HB   THR  81           HB       THR  81  -5.273  -2.225  15.372
  627    HG1  THR  81           HG1      THR  81  -5.179  -0.840  13.540
  628   1HG2  THR  81          1HG2      THR  81  -6.052  -4.470  15.115
  629   2HG2  THR  81          2HG2      THR  81  -4.786  -4.262  13.904
  630   3HG2  THR  81          3HG2      THR  81  -6.483  -4.201  13.426
  631    H    ALA  82           H        ALA  82  -6.271  -1.260  16.809
  632    HA   ALA  82           HA       ALA  82  -7.667   1.337  16.937
  633   1HB   ALA  82          1HB       ALA  82  -6.919  -0.581  18.746
  634   2HB   ALA  82          2HB       ALA  82  -7.283   1.087  19.187
  635   3HB   ALA  82          3HB       ALA  82  -5.611   0.585  18.939
  636    H    GLY  83           H        GLY  83  -6.713   2.921  15.680
  637   1HA   GLY  83          1HA       GLY  83  -4.828   4.591  15.911
  638   2HA   GLY  83          2HA       GLY  83  -3.741   3.205  15.882
  639    H    LEU  84           H        LEU  84  -6.413   2.838  13.768
  640    HA   LEU  84           HA       LEU  84  -6.504   2.789  11.405
  641   1HB   LEU  84          1HB       LEU  84  -5.114   5.322  12.239
  642   2HB   LEU  84          2HB       LEU  84  -5.224   4.953  10.519
  643    HG   LEU  84           HG       LEU  84  -7.626   4.908  12.361
  644   1HD1  LEU  84          1HD1      LEU  84  -7.443   7.148  10.493
  645   2HD1  LEU  84          2HD1      LEU  84  -6.151   7.172  11.693
  646   3HD1  LEU  84          3HD1      LEU  84  -7.837   7.154  12.212
  647   1HD2  LEU  84          1HD2      LEU  84  -7.366   3.818   9.914
  648   2HD2  LEU  84          2HD2      LEU  84  -7.755   5.471   9.438
  649   3HD2  LEU  84          3HD2      LEU  84  -8.870   4.561  10.457
  650    H    LYS  85           H        LYS  85  -4.259   1.341  12.739
  651    HA   LYS  85           HA       LYS  85  -2.025   1.726  10.814
  652   1HB   LYS  85          1HB       LYS  85  -2.469   0.458  13.500
  653   2HB   LYS  85          2HB       LYS  85  -1.100  -0.083  12.530
  654   1HG   LYS  85          1HG       LYS  85  -1.477   2.855  12.716
  655   2HG   LYS  85          2HG       LYS  85  -0.986   2.049  14.204
  656   1HD   LYS  85          1HD       LYS  85   0.996   1.199  13.222
  657   2HD   LYS  85          2HD       LYS  85   0.415   1.512  11.587
  658   1HE   LYS  85          1HE       LYS  85   1.757   3.381  11.804
  659   2HE   LYS  85          2HE       LYS  85   0.322   4.032  12.619
  660   1HZ   LYS  85          1HZ       LYS  85   1.156   3.392  14.713
  661   2HZ   LYS  85          2HZ       LYS  85   2.477   4.112  13.924
  662   3HZ   LYS  85          3HZ       LYS  85   2.373   2.421  14.034
  663    H    ARG  86           H        ARG  86  -3.660  -1.130  12.262
  664    HA   ARG  86           HA       ARG  86  -2.999  -2.670   9.809
  665   1HB   ARG  86          1HB       ARG  86  -3.007  -3.141  12.573
  666   2HB   ARG  86          2HB       ARG  86  -4.390  -4.056  11.972
  667   1HG   ARG  86          1HG       ARG  86  -3.078  -5.466  10.705
  668   2HG   ARG  86          2HG       ARG  86  -1.853  -4.231  10.411
  669   1HD   ARG  86          1HD       ARG  86  -0.880  -4.537  12.572
  670   2HD   ARG  86          2HD       ARG  86  -2.282  -5.457  13.151
  671    HE   ARG  86           HE       ARG  86  -1.398  -6.860  10.911
  672   1HH1  ARG  86          1HH1      ARG  86   0.009  -5.798  13.914
  673   2HH1  ARG  86          2HH1      ARG  86   1.122  -7.119  13.986
  674   1HH2  ARG  86          1HH2      ARG  86   0.058  -8.566  11.029
  675   2HH2  ARG  86          2HH2      ARG  86   1.151  -8.675  12.367
  676    H    MET  87           H        MET  87  -4.692  -4.088   8.881
  677    HA   MET  87           HA       MET  87  -7.510  -3.329   9.424
  678   1HB   MET  87          1HB       MET  87  -5.832  -2.453   7.169
  679   2HB   MET  87          2HB       MET  87  -7.345  -3.198   6.656
  680   1HG   MET  87          1HG       MET  87  -8.375  -1.660   8.546
  681   2HG   MET  87          2HG       MET  87  -6.909  -0.716   8.282
  682   1HE   MET  87          1HE       MET  87 -10.194  -1.939   7.205
  683   2HE   MET  87          2HE       MET  87  -9.417  -2.787   5.868
  684   3HE   MET  87          3HE       MET  87 -10.472  -1.411   5.546
  685    H    ARG  88           H        ARG  88  -8.969  -4.969   8.738
  686    HA   ARG  88           HA       ARG  88  -7.736  -7.370   7.432
  687   1HB   ARG  88          1HB       ARG  88  -9.592  -7.199   9.835
  688   2HB   ARG  88          2HB       ARG  88  -9.108  -8.707   9.058
  689   1HG   ARG  88          1HG       ARG  88  -6.847  -8.447   9.701
  690   2HG   ARG  88          2HG       ARG  88  -7.055  -6.731  10.051
  691   1HD   ARG  88          1HD       ARG  88  -8.825  -7.650  11.818
  692   2HD   ARG  88          2HD       ARG  88  -7.819  -9.108  11.709
  693    HE   ARG  88           HE       ARG  88  -6.246  -6.660  11.942
  694   1HH1  ARG  88          1HH1      ARG  88  -7.993  -9.119  13.681
  695   2HH1  ARG  88          2HH1      ARG  88  -7.087  -8.888  15.136
  696   1HH2  ARG  88          1HH2      ARG  88  -5.084  -6.380  13.842
  697   2HH2  ARG  88          2HH2      ARG  88  -5.452  -7.351  15.229
  698    H    ILE  89           H        ILE  89  -9.576  -8.894   6.664
  699    HA   ILE  89           HA       ILE  89 -11.987  -7.335   5.816
  700    HB   ILE  89           HB       ILE  89 -10.114  -9.038   4.129
  701   1HG1  ILE  89          1HG1      ILE  89 -10.894  -6.131   3.800
  702   2HG1  ILE  89          2HG1      ILE  89  -9.470  -6.637   4.708
  703   1HG2  ILE  89          1HG2      ILE  89 -11.680  -8.195   2.261
  704   2HG2  ILE  89          2HG2      ILE  89 -12.826  -7.835   3.553
  705   3HG2  ILE  89          3HG2      ILE  89 -12.288  -9.494   3.287
  706   1HD1  ILE  89          1HD1      ILE  89  -9.517  -6.154   1.995
  707   2HD1  ILE  89          2HD1      ILE  89  -9.700  -7.907   2.063
  708   3HD1  ILE  89          3HD1      ILE  89  -8.308  -7.134   2.822
  709    H    PHE  90           H        PHE  90 -13.704  -8.465   6.634
  710    HA   PHE  90           HA       PHE  90 -13.488 -11.445   6.841
  711   1HB   PHE  90          1HB       PHE  90 -14.897  -9.241   8.323
  712   2HB   PHE  90          2HB       PHE  90 -15.587 -10.863   8.368
  713    HD1  PHE  90           HD1      PHE  90 -14.228 -12.775   9.246
  714    HD2  PHE  90           HD2      PHE  90 -12.885  -8.703   9.505
  715    HE1  PHE  90           HE1      PHE  90 -12.559 -13.435  10.957
  716    HE2  PHE  90           HE2      PHE  90 -11.216  -9.362  11.216
  717    HZ   PHE  90           HZ       PHE  90 -11.053 -11.728  11.942
  718    H    THR  91           H        THR  91 -15.707 -12.547   6.555
  719    HA   THR  91           HA       THR  91 -17.088 -11.346   4.181
  720    HB   THR  91           HB       THR  91 -17.688 -13.859   3.873
  721    HG1  THR  91           HG1      THR  91 -16.717 -15.240   5.150
  722   1HG2  THR  91          1HG2      THR  91 -15.750 -12.367   2.816
  723   2HG2  THR  91          2HG2      THR  91 -15.827 -14.104   2.517
  724   3HG2  THR  91          3HG2      THR  91 -14.725 -13.467   3.739
  725    H    ILE  92           H        ILE  92 -18.599 -10.156   5.553
  726    HA   ILE  92           HA       ILE  92 -20.122 -11.145   7.691
  727    HB   ILE  92           HB       ILE  92 -21.773  -9.404   6.909
  728   1HG1  ILE  92          1HG1      ILE  92 -19.966  -8.622   4.691
  729   2HG1  ILE  92          2HG1      ILE  92 -20.947 -10.058   4.403
  730   1HG2  ILE  92          1HG2      ILE  92 -20.085  -8.466   8.218
  731   2HG2  ILE  92          2HG2      ILE  92 -19.905  -7.555   6.718
  732   3HG2  ILE  92          3HG2      ILE  92 -18.817  -8.898   7.070
  733   1HD1  ILE  92          1HD1      ILE  92 -21.755  -7.284   4.408
  734   2HD1  ILE  92          2HD1      ILE  92 -22.661  -8.176   5.630
  735   3HD1  ILE  92          3HD1      ILE  92 -22.691  -8.707   3.948
  736    H    LYS  93           H        LYS  93 -20.367 -11.933   4.294
  737    HA   LYS  93           HA       LYS  93 -22.713 -13.689   4.931
  738   1HB   LYS  93          1HB       LYS  93 -22.197 -12.064   2.412
  739   2HB   LYS  93          2HB       LYS  93 -23.614 -13.066   2.720
  740   1HG   LYS  93          1HG       LYS  93 -22.833 -10.797   4.557
  741   2HG   LYS  93          2HG       LYS  93 -23.873 -10.548   3.155
  742   1HD   LYS  93          1HD       LYS  93 -24.977 -12.784   4.370
  743   2HD   LYS  93          2HD       LYS  93 -24.495 -11.781   5.738
  744   1HE   LYS  93          1HE       LYS  93 -26.159 -10.286   5.325
  745   2HE   LYS  93          2HE       LYS  93 -25.752 -10.215   3.600
  746   1HZ   LYS  93          1HZ       LYS  93 -27.969 -11.287   4.240
  747   2HZ   LYS  93          2HZ       LYS  93 -27.042 -12.596   4.796
  748   3HZ   LYS  93          3HZ       LYS  93 -26.974 -12.142   3.161
  749    HA   PRO  94           HA       PRO  94 -20.303 -16.934   3.177
  750   1HB   PRO  94          1HB       PRO  94 -22.713 -17.966   1.889
  751   2HB   PRO  94          2HB       PRO  94 -21.706 -18.724   3.122
  752   1HG   PRO  94          1HG       PRO  94 -24.177 -17.770   3.639
  753   2HG   PRO  94          2HG       PRO  94 -22.880 -17.785   4.841
  754   1HD   PRO  94          1HD       PRO  94 -23.979 -15.511   3.270
  755   2HD   PRO  94          2HD       PRO  94 -23.319 -15.537   4.919
  756    H    ILE  95           H        ILE  95 -19.253 -17.320   1.197
  757    HA   ILE  95           HA       ILE  95 -20.407 -15.922  -1.197
  758    HB   ILE  95           HB       ILE  95 -17.544 -16.125  -0.188
  759   1HG1  ILE  95          1HG1      ILE  95 -19.404 -13.749  -0.515
  760   2HG1  ILE  95          2HG1      ILE  95 -18.991 -14.512   1.020
  761   1HG2  ILE  95          1HG2      ILE  95 -18.001 -14.230  -2.333
  762   2HG2  ILE  95          2HG2      ILE  95 -18.462 -15.856  -2.837
  763   3HG2  ILE  95          3HG2      ILE  95 -16.829 -15.546  -2.246
  764   1HD1  ILE  95          1HD1      ILE  95 -17.270 -13.042   1.106
  765   2HD1  ILE  95          2HD1      ILE  95 -17.442 -12.622  -0.598
  766   3HD1  ILE  95          3HD1      ILE  95 -16.513 -14.046  -0.130
  767    H    ALA  96           H        ALA  96 -20.294 -17.073  -3.129
  768    HA   ALA  96           HA       ALA  96 -19.354 -19.895  -2.940
  769   1HB   ALA  96          1HB       ALA  96 -20.778 -20.140  -4.961
  770   2HB   ALA  96          2HB       ALA  96 -21.050 -18.397  -4.975
  771   3HB   ALA  96          3HB       ALA  96 -21.675 -19.377  -3.648
  772    H    ILE  97           H        ILE  97 -18.186 -20.761  -4.886
  773    HA   ILE  97           HA       ILE  97 -15.892 -19.191  -5.557
  774    HB   ILE  97           HB       ILE  97 -17.150 -21.640  -6.849
  775   1HG1  ILE  97          1HG1      ILE  97 -14.749 -21.986  -5.219
  776   2HG1  ILE  97          2HG1      ILE  97 -16.089 -21.307  -4.297
  777   1HG2  ILE  97          1HG2      ILE  97 -15.527 -21.441  -8.400
  778   2HG2  ILE  97          2HG2      ILE  97 -14.348 -21.684  -7.112
  779   3HG2  ILE  97          3HG2      ILE  97 -14.835 -20.050  -7.565
  780   1HD1  ILE  97          1HD1      ILE  97 -15.991 -23.855  -4.379
  781   2HD1  ILE  97          2HD1      ILE  97 -16.398 -23.726  -6.090
  782   3HD1  ILE  97          3HD1      ILE  97 -17.526 -23.138  -4.868
  783    H    GLY  98           H        GLY  98 -15.802 -17.506  -6.976
  784   1HA   GLY  98          1HA       GLY  98 -16.018 -16.687  -9.270
  785   2HA   GLY  98          2HA       GLY  98 -17.501 -17.629  -9.423
  786    H    GLU  99           H        GLU  99 -16.592 -15.521  -6.710
  787    HA   GLU  99           HA       GLU  99 -18.985 -13.832  -7.378
  788   1HB   GLU  99          1HB       GLU  99 -17.953 -15.166  -4.952
  789   2HB   GLU  99          2HB       GLU  99 -18.460 -13.497  -4.689
  790   1HG   GLU  99          1HG       GLU  99 -20.178 -15.530  -6.132
  791   2HG   GLU  99          2HG       GLU  99 -20.286 -15.246  -4.395
  792    H    GLU 100           H        GLU 100 -18.756 -11.553  -6.384
  793    HA   GLU 100           HA       GLU 100 -15.941 -10.591  -6.781
  794   1HB   GLU 100          1HB       GLU 100 -18.069 -10.010  -8.293
  795   2HB   GLU 100          2HB       GLU 100 -18.359  -8.830  -7.015
  796   1HG   GLU 100          1HG       GLU 100 -15.612  -8.638  -7.571
  797   2HG   GLU 100          2HG       GLU 100 -16.386  -8.775  -9.149
  798    H    ILE 101           H        ILE 101 -15.010  -9.726  -4.975
  799    HA   ILE 101           HA       ILE 101 -16.726  -9.118  -2.628
  800    HB   ILE 101           HB       ILE 101 -13.732  -9.427  -3.027
  801   1HG1  ILE 101          1HG1      ILE 101 -15.714 -11.201  -1.583
  802   2HG1  ILE 101          2HG1      ILE 101 -15.167 -11.482  -3.235
  803   1HG2  ILE 101          1HG2      ILE 101 -14.036  -9.662  -0.382
  804   2HG2  ILE 101          2HG2      ILE 101 -15.388  -8.574  -0.697
  805   3HG2  ILE 101          3HG2      ILE 101 -13.749  -8.097  -1.143
  806   1HD1  ILE 101          1HD1      ILE 101 -13.924 -12.465  -0.983
  807   2HD1  ILE 101          2HD1      ILE 101 -12.979 -11.015  -1.321
  808   3HD1  ILE 101          3HD1      ILE 101 -13.146 -12.266  -2.553
  809    H    THR 102           H        THR 102 -17.192  -7.070  -2.102
  810    HA   THR 102           HA       THR 102 -15.347  -4.838  -2.664
  811    HB   THR 102           HB       THR 102 -17.208  -3.647  -3.917
  812    HG1  THR 102           HG1      THR 102 -18.857  -5.062  -3.099
  813   1HG2  THR 102          1HG2      THR 102 -16.728  -4.696  -6.010
  814   2HG2  THR 102          2HG2      THR 102 -16.444  -6.257  -5.242
  815   3HG2  THR 102          3HG2      THR 102 -15.295  -4.939  -5.013
  816    H    ILE 103           H        ILE 103 -16.570  -2.713  -1.839
  817    HA   ILE 103           HA       ILE 103 -18.533  -3.336   0.306
  818    HB   ILE 103           HB       ILE 103 -17.083  -2.252   1.988
  819   1HG1  ILE 103          1HG1      ILE 103 -14.573  -2.098   0.965
  820   2HG1  ILE 103          2HG1      ILE 103 -15.516  -1.624  -0.448
  821   1HG2  ILE 103          1HG2      ILE 103 -15.556  -4.043   2.269
  822   2HG2  ILE 103          2HG2      ILE 103 -15.398  -4.289   0.529
  823   3HG2  ILE 103          3HG2      ILE 103 -16.889  -4.745   1.353
  824   1HD1  ILE 103          1HD1      ILE 103 -15.655   0.436   0.464
  825   2HD1  ILE 103          2HD1      ILE 103 -14.973  -0.130   1.989
  826   3HD1  ILE 103          3HD1      ILE 103 -16.707  -0.263   1.695
  827    H    SER 104           H        SER 104 -19.626  -1.411   1.092
  828    HA   SER 104           HA       SER 104 -20.088   0.599  -0.921
  829   1HB   SER 104          1HB       SER 104 -21.720  -0.248   0.771
  830   2HB   SER 104          2HB       SER 104 -20.771   0.523   2.042
  831    HG   SER 104           HG       SER 104 -22.623   1.730   1.135
  832    H    TYR 105           H        TYR 105 -20.259   2.869   0.988
  833    HA   TYR 105           HA       TYR 105 -17.354   3.445   1.433
  834   1HB   TYR 105          1HB       TYR 105 -19.425   5.230   0.097
  835   2HB   TYR 105          2HB       TYR 105 -17.728   5.636   0.355
  836    HD1  TYR 105           HD1      TYR 105 -15.942   4.381  -0.847
  837    HD2  TYR 105           HD2      TYR 105 -20.109   3.744  -1.665
  838    HE1  TYR 105           HE1      TYR 105 -15.351   3.239  -2.968
  839    HE2  TYR 105           HE2      TYR 105 -19.519   2.602  -3.786
  840    HH   TYR 105           HH       TYR 105 -16.325   1.630  -4.520
  841    H    GLY 106           H        GLY 106 -20.413   5.292   1.763
  842   1HA   GLY 106          1HA       GLY 106 -21.039   5.156   4.389
  843   2HA   GLY 106          2HA       GLY 106 -19.571   6.129   4.462
  844    H    ASP 107           H        ASP 107 -21.524   7.539   5.394
  845    HA   ASP 107           HA       ASP 107 -23.351   8.793   3.583
  846   1HB   ASP 107          1HB       ASP 107 -23.459  10.478   5.440
  847   2HB   ASP 107          2HB       ASP 107 -23.557   8.819   6.030
  848    H    ASP 108           H        ASP 108 -20.051   9.675   4.619
  849    HA   ASP 108           HA       ASP 108 -19.896  12.220   3.354
  850   1HB   ASP 108          1HB       ASP 108 -18.161  10.178   4.540
  851   2HB   ASP 108          2HB       ASP 108 -17.363  11.043   3.228
  852    H    TYR 109           H        TYR 109 -18.523   9.130   2.143
  853    HA   TYR 109           HA       TYR 109 -18.114  10.143  -0.531
  854   1HB   TYR 109          1HB       TYR 109 -17.807   7.669   1.036
  855   2HB   TYR 109          2HB       TYR 109 -18.191   7.370  -0.660
  856    HD1  TYR 109           HD1      TYR 109 -15.507   7.396   1.352
  857    HD2  TYR 109           HD2      TYR 109 -16.919   9.506  -2.113
  858    HE1  TYR 109           HE1      TYR 109 -13.169   7.935   0.728
  859    HE2  TYR 109           HE2      TYR 109 -14.580  10.045  -2.738
  860    HH   TYR 109           HH       TYR 109 -11.883   9.277  -0.598
  861    H    TRP 110           H        TRP 110 -19.928  10.775  -1.673
  862    HA   TRP 110           HA       TRP 110 -22.574   9.919  -1.442
  863   1HB   TRP 110          1HB       TRP 110 -22.787  10.817  -3.717
  864   2HB   TRP 110          2HB       TRP 110 -21.661  11.810  -2.791
  865    HD1  TRP 110           HD1      TRP 110 -19.135  11.815  -3.513
  866    HE1  TRP 110           HE1      TRP 110 -17.897  10.873  -5.574
  867    HE3  TRP 110           HE3      TRP 110 -22.788   8.834  -5.422
  868    HZ2  TRP 110           HZ2      TRP 110 -18.408   9.074  -7.753
  869    HZ3  TRP 110           HZ3      TRP 110 -22.404   7.519  -7.470
  870    HH2  TRP 110           HH2      TRP 110 -20.220   7.630  -8.650
  871    H    LEU 111           H        LEU 111 -23.609   8.016  -1.853
  872    HA   LEU 111           HA       LEU 111 -22.077   5.799  -3.061
  873   1HB   LEU 111          1HB       LEU 111 -23.379   5.657  -0.918
  874   2HB   LEU 111          2HB       LEU 111 -24.859   5.907  -1.840
  875    HG   LEU 111           HG       LEU 111 -24.086   3.886  -3.258
  876   1HD1  LEU 111          1HD1      LEU 111 -22.672   2.304  -1.804
  877   2HD1  LEU 111          2HD1      LEU 111 -22.243   3.735  -0.867
  878   3HD1  LEU 111          3HD1      LEU 111 -21.821   3.641  -2.577
  879   1HD2  LEU 111          1HD2      LEU 111 -24.613   2.526  -0.835
  880   2HD2  LEU 111          2HD2      LEU 111 -25.780   2.991  -2.073
  881   3HD2  LEU 111          3HD2      LEU 111 -25.452   4.073  -0.720
  882    H    SER 112           H        SER 112 -25.445   5.409  -3.609
  883    HA   SER 112           HA       SER 112 -25.677   6.757  -6.148
  884   1HB   SER 112          1HB       SER 112 -25.061   5.022  -7.626
  885   2HB   SER 112          2HB       SER 112 -23.845   4.887  -6.356
  886    HG   SER 112           HG       SER 112 -24.685   2.865  -6.720
  887    H    ARG 113           H        ARG 113 -27.866   7.073  -6.013
  888    HA   ARG 113           HA       ARG 113 -30.164   6.612  -5.688
  889   1HB   ARG 113          1HB       ARG 113 -28.839   4.404  -7.175
  890   2HB   ARG 113          2HB       ARG 113 -30.463   4.057  -6.582
  891   1HG   ARG 113          1HG       ARG 113 -30.990   5.039  -8.612
  892   2HG   ARG 113          2HG       ARG 113 -30.961   6.473  -7.585
  893   1HD   ARG 113          1HD       ARG 113 -28.315   6.276  -8.277
  894   2HD   ARG 113          2HD       ARG 113 -29.107   5.679  -9.748
  895    HE   ARG 113           HE       ARG 113 -29.212   8.405  -8.765
  896   1HH1  ARG 113          1HH1      ARG 113 -31.059   5.916 -10.350
  897   2HH1  ARG 113          2HH1      ARG 113 -32.088   7.043 -11.162
  898   1HH2  ARG 113          1HH2      ARG 113 -30.559   9.848  -9.831
  899   2HH2  ARG 113          2HH2      ARG 113 -31.809   9.254 -10.873
  900    HA   PRO 114           HA       PRO 114 -29.131   4.168  -1.790
  901   1HB   PRO 114          1HB       PRO 114 -30.473   6.475  -0.501
  902   2HB   PRO 114          2HB       PRO 114 -28.921   5.720  -0.099
  903   1HG   PRO 114          1HG       PRO 114 -29.114   8.142  -1.269
  904   2HG   PRO 114          2HG       PRO 114 -27.757   7.043  -1.548
  905   1HD   PRO 114          1HD       PRO 114 -30.059   7.696  -3.315
  906   2HD   PRO 114          2HD       PRO 114 -28.384   7.282  -3.738
  907    H    ARG 115           H        ARG 115 -30.658   2.606  -1.617
  908    HA   ARG 115           HA       ARG 115 -33.348   3.182  -0.762
  909   1HB   ARG 115          1HB       ARG 115 -34.449   2.522  -2.886
  910   2HB   ARG 115          2HB       ARG 115 -33.476   3.973  -3.081
  911   1HG   ARG 115          1HG       ARG 115 -31.590   2.243  -3.700
  912   2HG   ARG 115          2HG       ARG 115 -32.956   1.190  -4.067
  913   1HD   ARG 115          1HD       ARG 115 -33.827   3.366  -5.351
  914   2HD   ARG 115          2HD       ARG 115 -32.090   3.712  -5.425
  915    HE   ARG 115           HE       ARG 115 -33.460   1.552  -6.823
  916   1HH1  ARG 115          1HH1      ARG 115 -30.483   2.525  -5.306
  917   2HH1  ARG 115          2HH1      ARG 115 -29.521   1.433  -6.242
  918   1HH2  ARG 115          1HH2      ARG 115 -32.192   0.144  -8.026
  919   2HH2  ARG 115          2HH2      ARG 115 -30.479   0.094  -7.770
  920    H    LEU 116           H        LEU 116 -31.176   0.887  -2.379
  921    HA   LEU 116           HA       LEU 116 -30.963  -1.454  -2.146
  922   1HB   LEU 116          1HB       LEU 116 -31.458  -0.164   0.419
  923   2HB   LEU 116          2HB       LEU 116 -32.047  -1.826   0.429
  924    HG   LEU 116           HG       LEU 116 -29.688  -1.741   1.132
  925   1HD1  LEU 116          1HD1      LEU 116 -30.672  -3.180  -1.219
  926   2HD1  LEU 116          2HD1      LEU 116 -29.740  -3.779   0.152
  927   3HD1  LEU 116          3HD1      LEU 116 -28.916  -3.018  -1.209
  928   1HD2  LEU 116          1HD2      LEU 116 -28.592   0.031   0.178
  929   2HD2  LEU 116          2HD2      LEU 116 -29.496  -0.088  -1.331
  930   3HD2  LEU 116          3HD2      LEU 116 -28.152  -1.186  -1.020
  931    H    THR 117           H        THR 117 -32.571  -3.312  -0.794
  932    HA   THR 117           HA       THR 117 -35.317  -2.881  -1.902
  933    HB   THR 117           HB       THR 117 -33.513  -5.301  -2.281
  934    HG1  THR 117           HG1      THR 117 -34.461  -3.354  -4.112
  935   1HG2  THR 117          1HG2      THR 117 -35.284  -6.250  -3.578
  936   2HG2  THR 117          2HG2      THR 117 -36.198  -4.742  -3.560
  937   3HG2  THR 117          3HG2      THR 117 -36.031  -5.690  -2.082
  938    H    GLN 118           H        GLN 118 -33.422  -5.425  -0.218
  939    HA   GLN 118           HA       GLN 118 -35.494  -5.402   1.944
  940   1HB   GLN 118          1HB       GLN 118 -34.538  -7.584   0.125
  941   2HB   GLN 118          2HB       GLN 118 -34.933  -8.021   1.787
  942   1HG   GLN 118          1HG       GLN 118 -37.099  -6.549   1.269
  943   2HG   GLN 118          2HG       GLN 118 -36.720  -7.017  -0.389
  944   1HE2  GLN 118          1HE2      GLN 118 -36.294  -9.500  -0.650
  945   2HE2  GLN 118          2HE2      GLN 118 -37.286 -10.537   0.256
  946    H    ASN 119           H        ASN 119 -34.678  -6.202   4.002
  947    HA   ASN 119           HA       ASN 119 -31.690  -6.064   4.205
  948   1HB   ASN 119          1HB       ASN 119 -33.645  -4.501   5.339
  949   2HB   ASN 119          2HB       ASN 119 -33.384  -5.698   6.607
  950   1HD2  ASN 119          1HD2      ASN 119 -30.637  -6.194   6.397
  951   2HD2  ASN 119          2HD2      ASN 119 -29.768  -4.769   6.703
  952   1H    GLY 201          1H        GLY 201 -17.243  29.524 -14.599
  953   2H    GLY 201          2H        GLY 201 -17.002  30.251 -13.084
  954   3H    GLY 201          3H        GLY 201 -17.663  28.690 -13.181
  955   1HA   GLY 201          1HA       GLY 201 -15.661  27.715 -13.775
  956   2HA   GLY 201          2HA       GLY 201 -14.978  29.267 -14.259
  957    H    LYS 202           H        LYS 202 -13.345  29.705 -12.839
  958    HA   LYS 202           HA       LYS 202 -12.210  29.997 -10.787
  959   1HB   LYS 202          1HB       LYS 202 -15.129  30.529 -10.157
  960   2HB   LYS 202          2HB       LYS 202 -13.846  30.823  -8.983
  961   1HG   LYS 202          1HG       LYS 202 -13.357  31.935 -11.681
  962   2HG   LYS 202          2HG       LYS 202 -14.693  32.675 -10.799
  963   1HD   LYS 202          1HD       LYS 202 -13.316  33.564  -9.195
  964   2HD   LYS 202          2HD       LYS 202 -12.197  32.202  -9.254
  965   1HE   LYS 202          1HE       LYS 202 -11.893  33.311 -11.768
  966   2HE   LYS 202          2HE       LYS 202 -12.119  34.740 -10.741
  967   1HZ   LYS 202          1HZ       LYS 202 -10.246  32.486 -10.210
  968   2HZ   LYS 202          2HZ       LYS 202 -10.476  33.834  -9.202
  969   3HZ   LYS 202          3HZ       LYS 202  -9.798  34.034 -10.746
  970    H    ALA 203           H        ALA 203 -11.528  27.778 -10.518
  971    HA   ALA 203           HA       ALA 203 -13.068  25.626  -9.538
  972   1HB   ALA 203          1HB       ALA 203 -10.478  25.405  -8.450
  973   2HB   ALA 203          2HB       ALA 203 -10.283  26.395  -9.897
  974   3HB   ALA 203          3HB       ALA 203 -11.012  24.793 -10.016
  975    HA   PRO 204           HA       PRO 204 -11.849  26.801  -5.071
  976   1HB   PRO 204          1HB       PRO 204 -10.677  29.275  -4.677
  977   2HB   PRO 204          2HB       PRO 204  -9.761  27.773  -4.892
  978   1HG   PRO 204          1HG       PRO 204 -10.329  29.947  -6.834
  979   2HG   PRO 204          2HG       PRO 204  -8.886  28.942  -6.654
  980   1HD   PRO 204          1HD       PRO 204 -10.775  28.575  -8.596
  981   2HD   PRO 204          2HD       PRO 204  -9.731  27.280  -7.975
  982    H    ARG 205           H        ARG 205 -14.074  27.095  -4.740
  983    HA   ARG 205           HA       ARG 205 -15.138  29.880  -5.074
  984   1HB   ARG 205          1HB       ARG 205 -15.996  27.687  -6.316
  985   2HB   ARG 205          2HB       ARG 205 -16.845  27.422  -4.794
  986   1HG   ARG 205          1HG       ARG 205 -18.304  29.125  -5.176
  987   2HG   ARG 205          2HG       ARG 205 -17.046  30.177  -5.825
  988   1HD   ARG 205          1HD       ARG 205 -17.573  29.617  -7.966
  989   2HD   ARG 205          2HD       ARG 205 -17.603  27.887  -7.575
  990    HE   ARG 205           HE       ARG 205 -19.910  29.666  -7.601
  991   1HH1  ARG 205          1HH1      ARG 205 -18.491  26.862  -6.104
  992   2HH1  ARG 205          2HH1      ARG 205 -20.019  26.203  -5.634
  993   1HH2  ARG 205          1HH2      ARG 205 -21.882  28.790  -6.979
  994   2HH2  ARG 205          2HH2      ARG 205 -21.926  27.284  -6.124
  995    H    LYS 206           H        LYS 206 -14.950  27.068  -2.919
  996    HA   LYS 206           HA       LYS 206 -16.234  28.684  -0.750
  997   1HB   LYS 206          1HB       LYS 206 -15.999  25.785  -1.478
  998   2HB   LYS 206          2HB       LYS 206 -16.161  26.191   0.230
  999   1HG   LYS 206          1HG       LYS 206 -18.130  27.712  -0.584
 1000   2HG   LYS 206          2HG       LYS 206 -18.090  26.694  -2.024
 1001   1HD   LYS 206          1HD       LYS 206 -19.655  25.661  -0.540
 1002   2HD   LYS 206          2HD       LYS 206 -18.186  24.690  -0.440
 1003   1HE   LYS 206          1HE       LYS 206 -18.402  24.996   1.821
 1004   2HE   LYS 206          2HE       LYS 206 -17.754  26.617   1.502
 1005   1HZ   LYS 206          1HZ       LYS 206 -20.595  25.770   1.643
 1006   2HZ   LYS 206          2HZ       LYS 206 -20.125  27.233   0.919
 1007   3HZ   LYS 206          3HZ       LYS 206 -19.814  26.963   2.566
 1008    H    GLN 207           H        GLN 207 -15.012  29.230   1.040
 1009    HA   GLN 207           HA       GLN 207 -12.140  28.943   0.981
 1010   1HB   GLN 207          1HB       GLN 207 -13.671  30.735   2.053
 1011   2HB   GLN 207          2HB       GLN 207 -13.872  29.591   3.380
 1012   1HG   GLN 207          1HG       GLN 207 -11.728  29.880   4.127
 1013   2HG   GLN 207          2HG       GLN 207 -11.079  30.068   2.498
 1014   1HE2  GLN 207          1HE2      GLN 207 -10.839  32.207   1.683
 1015   2HE2  GLN 207          2HE2      GLN 207 -11.273  33.595   2.559
 1016    H    LEU 208           H        LEU 208 -12.026  26.527   0.803
 1017    HA   LEU 208           HA       LEU 208 -11.706  24.386   1.750
 1018   1HB   LEU 208          1HB       LEU 208 -10.749  26.479   3.487
 1019   2HB   LEU 208          2HB       LEU 208 -11.366  25.156   4.477
 1020    HG   LEU 208           HG       LEU 208  -9.702  24.383   2.138
 1021   1HD1  LEU 208          1HD1      LEU 208  -7.646  24.754   3.671
 1022   2HD1  LEU 208          2HD1      LEU 208  -8.666  25.912   4.525
 1023   3HD1  LEU 208          3HD1      LEU 208  -8.293  26.156   2.819
 1024   1HD2  LEU 208          1HD2      LEU 208  -8.823  23.175   4.505
 1025   2HD2  LEU 208          2HD2      LEU 208  -9.929  22.476   3.324
 1026   3HD2  LEU 208          3HD2      LEU 208 -10.565  23.347   4.719
 1027    H    ALA 209           H        ALA 209 -12.485  23.048   3.856
 1028    HA   ALA 209           HA       ALA 209 -15.102  23.878   4.898
 1029   1HB   ALA 209          1HB       ALA 209 -16.396  22.293   3.671
 1030   2HB   ALA 209          2HB       ALA 209 -14.960  21.424   3.129
 1031   3HB   ALA 209          3HB       ALA 209 -15.332  23.015   2.464
 1032    H    THR 210           H        THR 210 -16.067  21.934   6.182
 1033    HA   THR 210           HA       THR 210 -13.831  20.300   7.337
 1034    HB   THR 210           HB       THR 210 -14.492  22.169   8.790
 1035    HG1  THR 210           HG1      THR 210 -14.153  19.980   9.649
 1036   1HG2  THR 210          1HG2      THR 210 -17.073  21.630   9.623
 1037   2HG2  THR 210          2HG2      THR 210 -17.159  21.333   7.886
 1038   3HG2  THR 210          3HG2      THR 210 -16.617  22.900   8.488
 1039    H    LYS 211           H        LYS 211 -15.173  19.061   5.359
 1040    HA   LYS 211           HA       LYS 211 -17.312  17.440   6.698
 1041   1HB   LYS 211          1HB       LYS 211 -17.799  18.856   4.625
 1042   2HB   LYS 211          2HB       LYS 211 -16.732  17.769   3.736
 1043   1HG   LYS 211          1HG       LYS 211 -18.344  16.200   3.595
 1044   2HG   LYS 211          2HG       LYS 211 -18.629  16.265   5.334
 1045   1HD   LYS 211          1HD       LYS 211 -20.191  18.048   5.116
 1046   2HD   LYS 211          2HD       LYS 211 -19.691  18.384   3.458
 1047   1HE   LYS 211          1HE       LYS 211 -21.622  17.148   3.042
 1048   2HE   LYS 211          2HE       LYS 211 -20.447  15.823   3.130
 1049   1HZ   LYS 211          1HZ       LYS 211 -22.100  15.241   4.667
 1050   2HZ   LYS 211          2HZ       LYS 211 -22.258  16.828   5.249
 1051   3HZ   LYS 211          3HZ       LYS 211 -20.875  15.919   5.628
 1052    H    ALA 212           H        ALA 212 -14.319  17.316   4.807
 1053    HA   ALA 212           HA       ALA 212 -12.856  15.516   4.357
 1054   1HB   ALA 212          1HB       ALA 212 -14.104  14.178   6.752
 1055   2HB   ALA 212          2HB       ALA 212 -13.225  15.693   6.964
 1056   3HB   ALA 212          3HB       ALA 212 -12.401  14.280   6.306
 1057    H    ALA 213           H        ALA 213 -14.364  15.026   2.463
 1058    HA   ALA 213           HA       ALA 213 -16.340  12.909   2.733
 1059   1HB   ALA 213          1HB       ALA 213 -16.798  14.177   0.875
 1060   2HB   ALA 213          2HB       ALA 213 -15.688  13.065   0.073
 1061   3HB   ALA 213          3HB       ALA 213 -15.107  14.626   0.653
 1062    H    ARG 214           H        ARG 214 -14.650  11.471   3.930
 1063    HA   ARG 214           HA       ARG 214 -13.025   9.938   1.926
 1064   1HB   ARG 214          1HB       ARG 214 -12.710  10.473   4.900
 1065   2HB   ARG 214          2HB       ARG 214 -11.709   9.318   4.020
 1066   1HG   ARG 214          1HG       ARG 214 -11.996  12.235   3.246
 1067   2HG   ARG 214          2HG       ARG 214 -10.676  11.606   4.232
 1068   1HD   ARG 214          1HD       ARG 214  -9.613  11.234   2.245
 1069   2HD   ARG 214          2HD       ARG 214 -10.727   9.867   2.056
 1070    HE   ARG 214           HE       ARG 214 -11.899  11.148   0.453
 1071   1HH1  ARG 214          1HH1      ARG 214  -9.992  13.211   2.509
 1072   2HH1  ARG 214          2HH1      ARG 214 -10.384  14.642   1.622
 1073   1HH2  ARG 214          1HH2      ARG 214 -12.393  13.020  -0.683
 1074   2HH2  ARG 214          2HH2      ARG 214 -11.733  14.538  -0.172
 1075   1HN   MLZ 215          1HN       MLZ 215 -12.685   7.568   2.858
 1076    HA   MLZ 215           HA       MLZ 215 -15.277   6.300   2.949
 1077   1HB   MLZ 215          1HB       MLZ 215 -12.394   5.592   2.999
 1078   2HB   MLZ 215          2HB       MLZ 215 -13.468   4.401   3.734
 1079   1HG   MLZ 215          1HG       MLZ 215 -14.480   5.476   1.193
 1080   2HG   MLZ 215          2HG       MLZ 215 -14.350   3.802   1.731
 1081   1HD   MLZ 215          1HD       MLZ 215 -12.078   5.507   0.662
 1082   2HD   MLZ 215          2HD       MLZ 215 -11.921   3.847   1.237
 1083   1HE   MLZ 215          1HE       MLZ 215 -13.998   4.387  -0.851
 1084   2HE   MLZ 215          2HE       MLZ 215 -12.962   2.964  -0.632
 1085    HZ   MLZ 215           HZ       MLZ 215 -11.064   4.243  -1.336
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -12.593   3.208  -3.014
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -11.566   4.502  -3.618
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -13.257   4.820  -3.250
 1089    H    SER 216           H        SER 216 -16.565   6.222   4.741
 1090    HA   SER 216           HA       SER 216 -17.217   6.021   7.001
 1091   1HB   SER 216          1HB       SER 216 -14.728   7.301   7.950
 1092   2HB   SER 216          2HB       SER 216 -15.523   8.168   6.637
 1093    HG   SER 216           HG       SER 216 -17.366   8.304   7.842
 1094    H    ALA 217           H        ALA 217 -15.739   5.654   9.326
 1095    HA   ALA 217           HA       ALA 217 -14.261   3.102   8.766
 1096   1HB   ALA 217          1HB       ALA 217 -13.533   5.564  10.121
 1097   2HB   ALA 217          2HB       ALA 217 -12.514   4.177   9.737
 1098   3HB   ALA 217          3HB       ALA 217 -13.437   4.204  11.240
 1099    HA   PRO 218           HA       PRO 218 -16.919   1.079  11.611
 1100   1HB   PRO 218          1HB       PRO 218 -15.162  -0.302  13.255
 1101   2HB   PRO 218          2HB       PRO 218 -15.614  -0.824  11.623
 1102   1HG   PRO 218          1HG       PRO 218 -13.162   0.564  12.556
 1103   2HG   PRO 218          2HG       PRO 218 -13.354  -0.658  11.298
 1104   1HD   PRO 218          1HD       PRO 218 -13.019   1.999  10.798
 1105   2HD   PRO 218          2HD       PRO 218 -13.884   0.895   9.717
 1106    H    ALA 219           H        ALA 219 -14.159   2.732  13.122
 1107    HA   ALA 219           HA       ALA 219 -14.015   3.952  15.141
 1108   1HB   ALA 219          1HB       ALA 219 -16.779   4.264  14.030
 1109   2HB   ALA 219          2HB       ALA 219 -15.535   5.488  14.288
 1110   3HB   ALA 219          3HB       ALA 219 -16.482   4.891  15.651
 1111    H    THR 220           H        THR 220 -13.561   1.981  16.402
 1112    HA   THR 220           HA       THR 220 -15.390   1.593  18.602
 1113    HB   THR 220           HB       THR 220 -16.606   0.406  16.798
 1114    HG1  THR 220           HG1      THR 220 -16.852  -0.541  18.756
 1115   1HG2  THR 220          1HG2      THR 220 -14.636  -0.121  15.400
 1116   2HG2  THR 220          2HG2      THR 220 -15.579  -1.572  15.739
 1117   3HG2  THR 220          3HG2      THR 220 -14.081  -1.269  16.619
 1118    H    GLY 221           H        GLY 221 -14.628  -0.549  19.840
 1119   1HA   GLY 221          1HA       GLY 221 -12.074  -1.676  19.413
 1120   2HA   GLY 221          2HA       GLY 221 -11.835  -0.234  20.400
 1121   1H    MET   1          1H        MET   1   1.115 -12.168   9.561
 1122   2H    MET   1          2H        MET   1   0.471 -12.876   8.158
 1123   3H    MET   1          3H        MET   1  -0.136 -11.391   8.716
 1124    HA   MET   1           HA       MET   1   1.339 -11.079   6.799
 1125   1HB   MET   1          1HB       MET   1   2.102 -10.116   9.572
 1126   2HB   MET   1          2HB       MET   1   2.807  -9.428   8.110
 1127   1HG   MET   1          1HG       MET   1   0.207  -9.306   7.429
 1128   2HG   MET   1          2HG       MET   1   0.046  -9.178   9.179
 1129   1HE   MET   1          1HE       MET   1   0.328  -6.455   6.216
 1130   2HE   MET   1          2HE       MET   1   0.910  -8.109   6.032
 1131   3HE   MET   1          3HE       MET   1   2.058  -6.771   6.082
 1132    H    PHE   2           H        PHE   2   2.138 -13.608   6.885
 1133    HA   PHE   2           HA       PHE   2   5.004 -13.519   6.606
 1134   1HB   PHE   2          1HB       PHE   2   5.447 -15.054   8.603
 1135   2HB   PHE   2          2HB       PHE   2   5.020 -13.395   9.015
 1136    HD1  PHE   2           HD1      PHE   2   2.981 -12.876  10.166
 1137    HD2  PHE   2           HD2      PHE   2   3.735 -16.872   8.786
 1138    HE1  PHE   2           HE1      PHE   2   1.051 -13.696  11.489
 1139    HE2  PHE   2           HE2      PHE   2   1.805 -17.693  10.110
 1140    HZ   PHE   2           HZ       PHE   2   0.463 -16.104  11.461
 1141    H    ASN   3           H        ASN   3   5.568 -15.201   5.278
 1142    HA   ASN   3           HA       ASN   3   3.754 -17.590   5.184
 1143   1HB   ASN   3          1HB       ASN   3   4.920 -15.800   3.056
 1144   2HB   ASN   3          2HB       ASN   3   4.533 -17.476   2.665
 1145   1HD2  ASN   3          1HD2      ASN   3   3.045 -14.516   4.076
 1146   2HD2  ASN   3          2HD2      ASN   3   1.470 -14.880   3.558
 1147    H    ASP   4           H        ASP   4   4.888 -19.544   4.289
 1148    HA   ASP   4           HA       ASP   4   7.271 -20.192   5.627
 1149   1HB   ASP   4          1HB       ASP   4   6.049 -21.210   3.037
 1150   2HB   ASP   4          2HB       ASP   4   7.342 -22.045   3.897
 1151    H    ARG   5           H        ARG   5   6.850 -18.381   2.671
 1152    HA   ARG   5           HA       ARG   5   9.598 -18.764   1.729
 1153   1HB   ARG   5          1HB       ARG   5   7.372 -16.824   0.997
 1154   2HB   ARG   5          2HB       ARG   5   8.849 -17.060   0.063
 1155   1HG   ARG   5          1HG       ARG   5   7.364 -19.536   0.716
 1156   2HG   ARG   5          2HG       ARG   5   6.541 -18.436  -0.390
 1157   1HD   ARG   5          1HD       ARG   5   8.972 -18.355  -1.520
 1158   2HD   ARG   5          2HD       ARG   5   9.081 -19.964  -0.781
 1159    HE   ARG   5           HE       ARG   5   7.455 -20.694  -2.332
 1160   1HH1  ARG   5          1HH1      ARG   5   7.334 -17.233  -1.974
 1161   2HH1  ARG   5          2HH1      ARG   5   6.130 -17.038  -3.201
 1162   1HH2  ARG   5          1HH2      ARG   5   5.893 -20.416  -3.919
 1163   2HH2  ARG   5          2HH2      ARG   5   5.319 -18.825  -4.295
 1164    H    VAL   6           H        VAL   6   7.775 -16.175   3.388
 1165    HA   VAL   6           HA       VAL   6  10.343 -15.074   4.388
 1166    HB   VAL   6           HB       VAL   6   9.688 -12.815   3.507
 1167   1HG1  VAL   6          1HG1      VAL   6  10.388 -13.228   1.248
 1168   2HG1  VAL   6          2HG1      VAL   6   9.768 -14.878   1.292
 1169   3HG1  VAL   6          3HG1      VAL   6  11.184 -14.443   2.249
 1170   1HG2  VAL   6          1HG2      VAL   6   7.264 -13.214   3.364
 1171   2HG2  VAL   6          2HG2      VAL   6   7.528 -14.416   2.101
 1172   3HG2  VAL   6          3HG2      VAL   6   7.899 -12.719   1.795
 1173    H    ILE   7           H        ILE   7   9.688 -12.981   5.776
 1174    HA   ILE   7           HA       ILE   7   7.029 -13.267   7.055
 1175    HB   ILE   7           HB       ILE   7   8.431 -14.920   8.189
 1176   1HG1  ILE   7          1HG1      ILE   7   8.426 -12.526  10.022
 1177   2HG1  ILE   7          2HG1      ILE   7   6.916 -13.275   9.504
 1178   1HG2  ILE   7          1HG2      ILE   7  10.494 -13.127   7.595
 1179   2HG2  ILE   7          2HG2      ILE   7  10.643 -14.617   8.527
 1180   3HG2  ILE   7          3HG2      ILE   7  10.369 -13.083   9.353
 1181   1HD1  ILE   7          1HD1      ILE   7   7.959 -15.500  10.279
 1182   2HD1  ILE   7          2HD1      ILE   7   7.461 -14.372  11.539
 1183   3HD1  ILE   7          3HD1      ILE   7   9.164 -14.509  11.102
 1184    H    VAL   8           H        VAL   8   6.741 -11.491   8.735
 1185    HA   VAL   8           HA       VAL   8   8.184  -9.042   7.819
 1186    HB   VAL   8           HB       VAL   8   5.693  -9.220   7.615
 1187   1HG1  VAL   8          1HG1      VAL   8   5.275  -8.830  10.510
 1188   2HG1  VAL   8          2HG1      VAL   8   5.821 -10.447  10.071
 1189   3HG1  VAL   8          3HG1      VAL   8   4.347  -9.791   9.360
 1190   1HG2  VAL   8          1HG2      VAL   8   6.909  -7.166   9.467
 1191   2HG2  VAL   8          2HG2      VAL   8   5.221  -7.070   8.964
 1192   3HG2  VAL   8          3HG2      VAL   8   6.506  -6.996   7.758
 1193    H    LYS   9           H        LYS   9   9.651  -8.149   9.180
 1194    HA   LYS   9           HA       LYS   9   9.352  -8.616  12.120
 1195   1HB   LYS   9          1HB       LYS   9  11.851  -8.582  10.398
 1196   2HB   LYS   9          2HB       LYS   9  11.844  -8.749  12.152
 1197   1HG   LYS   9          1HG       LYS   9  10.014 -10.670  11.231
 1198   2HG   LYS   9          2HG       LYS   9  11.383 -10.771  10.123
 1199   1HD   LYS   9          1HD       LYS   9  12.890 -10.825  12.167
 1200   2HD   LYS   9          2HD       LYS   9  11.432 -11.016  13.141
 1201   1HE   LYS   9          1HE       LYS   9  10.865 -13.084  11.946
 1202   2HE   LYS   9          2HE       LYS   9  12.271 -12.877  10.886
 1203   1HZ   LYS   9          1HZ       LYS   9  13.664 -12.809  12.913
 1204   2HZ   LYS   9          2HZ       LYS   9  12.880 -14.302  12.710
 1205   3HZ   LYS   9          3HZ       LYS   9  12.295 -13.183  13.846
 1206    H    LYS  10           H        LYS  10  10.114  -5.129  12.638
 1207    HA   LYS  10           HA       LYS  10   9.688  -6.144  14.696
 1208   1HB   LYS  10          1HB       LYS  10   7.937  -7.285  12.636
 1209   2HB   LYS  10          2HB       LYS  10   8.112  -8.328  14.047
 1210   1HG   LYS  10          1HG       LYS  10   7.252  -6.704  15.508
 1211   2HG   LYS  10          2HG       LYS  10   7.592  -5.382  14.392
 1212   1HD   LYS  10          1HD       LYS  10   5.177  -5.865  14.450
 1213   2HD   LYS  10          2HD       LYS  10   5.845  -6.238  12.860
 1214   1HE   LYS  10          1HE       LYS  10   4.746  -8.238  13.186
 1215   2HE   LYS  10          2HE       LYS  10   6.191  -8.638  14.134
 1216   1HZ   LYS  10          1HZ       LYS  10   4.229  -8.949  15.489
 1217   2HZ   LYS  10          2HZ       LYS  10   3.694  -7.373  15.150
 1218   3HZ   LYS  10          3HZ       LYS  10   5.099  -7.613  16.074
 1219    H    SER  11           H        SER  11  12.171  -6.775  14.096
 1220    HA   SER  11           HA       SER  11  12.436  -9.749  14.225
 1221   1HB   SER  11          1HB       SER  11  14.418  -9.427  13.059
 1222   2HB   SER  11          2HB       SER  11  13.573  -7.968  12.549
 1223    HG   SER  11           HG       SER  11  15.755  -7.679  13.397
 1224    HA   PRO  12           HA       PRO  12  14.289  -9.903  18.214
 1225   1HB   PRO  12          1HB       PRO  12  17.102  -9.960  17.236
 1226   2HB   PRO  12          2HB       PRO  12  16.241 -11.137  18.244
 1227   1HG   PRO  12          1HG       PRO  12  16.819 -11.601  15.663
 1228   2HG   PRO  12          2HG       PRO  12  15.360 -12.231  16.439
 1229   1HD   PRO  12          1HD       PRO  12  15.660  -9.996  14.507
 1230   2HD   PRO  12          2HD       PRO  12  14.301 -11.113  14.748
 1231    H    LEU  13           H        LEU  13  16.558  -7.976  16.206
 1232    HA   LEU  13           HA       LEU  13  17.172  -6.140  18.376
 1233   1HB   LEU  13          1HB       LEU  13  18.466  -6.882  16.209
 1234   2HB   LEU  13          2HB       LEU  13  17.564  -5.575  15.446
 1235    HG   LEU  13           HG       LEU  13  18.644  -4.713  17.993
 1236   1HD1  LEU  13          1HD1      LEU  13  20.445  -6.201  17.765
 1237   2HD1  LEU  13          2HD1      LEU  13  21.052  -4.726  17.010
 1238   3HD1  LEU  13          3HD1      LEU  13  20.460  -6.052  16.008
 1239   1HD2  LEU  13          1HD2      LEU  13  19.870  -3.203  16.117
 1240   2HD2  LEU  13          2HD2      LEU  13  18.192  -2.945  16.596
 1241   3HD2  LEU  13          3HD2      LEU  13  18.562  -3.869  15.140
 1242    H    GLY  14           H        GLY  14  15.291  -5.829  15.340
 1243   1HA   GLY  14          1HA       GLY  14  13.043  -4.574  15.978
 1244   2HA   GLY  14          2HA       GLY  14  14.174  -3.275  16.357
 1245    H    GLY  15           H        GLY  15  12.894  -2.160  14.590
 1246   1HA   GLY  15          1HA       GLY  15  13.177  -1.173  12.444
 1247   2HA   GLY  15          2HA       GLY  15  14.350  -2.431  12.052
 1248    H    TYR  16           H        TYR  16  11.673  -1.354  10.809
 1249    HA   TYR  16           HA       TYR  16  10.168  -3.913  10.661
 1250   1HB   TYR  16          1HB       TYR  16   9.549  -1.160  10.691
 1251   2HB   TYR  16          2HB       TYR  16   9.160  -1.714   9.063
 1252    HD1  TYR  16           HD1      TYR  16   7.942  -4.104   8.999
 1253    HD2  TYR  16           HD2      TYR  16   7.913  -1.393  12.330
 1254    HE1  TYR  16           HE1      TYR  16   5.882  -5.184   9.860
 1255    HE2  TYR  16           HE2      TYR  16   5.853  -2.473  13.191
 1256    HH   TYR  16           HH       TYR  16   3.911  -4.431  11.382
 1257    H    GLY  17           H        GLY  17  11.586  -5.145   9.299
 1258   1HA   GLY  17          1HA       GLY  17  11.671  -4.187   6.471
 1259   2HA   GLY  17          2HA       GLY  17  13.056  -5.005   7.195
 1260    H    VAL  18           H        VAL  18  12.543  -6.524   5.268
 1261    HA   VAL  18           HA       VAL  18  10.371  -8.436   6.063
 1262    HB   VAL  18           HB       VAL  18   9.944  -7.464   3.902
 1263   1HG1  VAL  18          1HG1      VAL  18  11.850  -6.461   3.095
 1264   2HG1  VAL  18          2HG1      VAL  18  11.897  -7.937   2.132
 1265   3HG1  VAL  18          3HG1      VAL  18  12.883  -7.799   3.584
 1266   1HG2  VAL  18          1HG2      VAL  18  10.217 -10.165   4.248
 1267   2HG2  VAL  18          2HG2      VAL  18  11.248  -9.890   2.843
 1268   3HG2  VAL  18          3HG2      VAL  18   9.551  -9.412   2.798
 1269    H    PHE  19           H        PHE  19  11.076 -10.388   6.808
 1270    HA   PHE  19           HA       PHE  19  13.962 -11.017   6.653
 1271   1HB   PHE  19          1HB       PHE  19  11.664 -11.553   8.362
 1272   2HB   PHE  19          2HB       PHE  19  12.540 -13.040   8.001
 1273    HD1  PHE  19           HD1      PHE  19  14.562 -13.533   9.106
 1274    HD2  PHE  19           HD2      PHE  19  13.047  -9.515   9.147
 1275    HE1  PHE  19           HE1      PHE  19  16.336 -12.880  10.712
 1276    HE2  PHE  19           HE2      PHE  19  14.819  -8.862  10.753
 1277    HZ   PHE  19           HZ       PHE  19  16.464 -10.544  11.536
 1278    H    ALA  20           H        ALA  20  14.637 -13.231   6.016
 1279    HA   ALA  20           HA       ALA  20  12.862 -14.349   3.871
 1280   1HB   ALA  20          1HB       ALA  20  15.475 -13.262   3.834
 1281   2HB   ALA  20          2HB       ALA  20  14.664 -14.107   2.515
 1282   3HB   ALA  20          3HB       ALA  20  15.680 -15.003   3.644
 1283    H    ARG  21           H        ARG  21  11.903 -16.027   5.108
 1284    HA   ARG  21           HA       ARG  21  13.310 -17.748   6.929
 1285   1HB   ARG  21          1HB       ARG  21  10.705 -17.318   5.953
 1286   2HB   ARG  21          2HB       ARG  21  11.085 -18.980   5.500
 1287   1HG   ARG  21          1HG       ARG  21  10.375 -19.405   7.639
 1288   2HG   ARG  21          2HG       ARG  21  12.041 -18.978   8.027
 1289   1HD   ARG  21          1HD       ARG  21  11.351 -16.640   8.450
 1290   2HD   ARG  21          2HD       ARG  21   9.675 -17.064   8.052
 1291    HE   ARG  21           HE       ARG  21   9.519 -18.132  10.158
 1292   1HH1  ARG  21          1HH1      ARG  21  12.849 -17.691   9.244
 1293   2HH1  ARG  21          2HH1      ARG  21  13.456 -18.273  10.755
 1294   1HH2  ARG  21          1HH2      ARG  21  10.331 -18.883  12.112
 1295   2HH2  ARG  21          2HH2      ARG  21  12.043 -18.943  12.368
 1296    H    LYS  22           H        LYS  22  13.183 -17.586   3.465
 1297    HA   LYS  22           HA       LYS  22  14.148 -20.360   3.093
 1298   1HB   LYS  22          1HB       LYS  22  12.868 -18.212   1.597
 1299   2HB   LYS  22          2HB       LYS  22  14.201 -18.915   0.687
 1300   1HG   LYS  22          1HG       LYS  22  13.239 -21.102   0.799
 1301   2HG   LYS  22          2HG       LYS  22  12.097 -20.611   2.048
 1302   1HD   LYS  22          1HD       LYS  22  10.743 -20.563   0.150
 1303   2HD   LYS  22          2HD       LYS  22  11.296 -18.889   0.217
 1304   1HE   LYS  22          1HE       LYS  22  12.943 -19.270  -1.484
 1305   2HE   LYS  22          2HE       LYS  22  12.747 -21.028  -1.374
 1306   1HZ   LYS  22          1HZ       LYS  22  10.426 -20.758  -2.044
 1307   2HZ   LYS  22          2HZ       LYS  22  11.471 -20.140  -3.231
 1308   3HZ   LYS  22          3HZ       LYS  22  10.648 -19.080  -2.191
 1309    H    SER  23           H        SER  23  17.453 -19.350   1.766
 1310    HA   SER  23           HA       SER  23  15.068 -21.112   1.399
 1311   1HB   SER  23          1HB       SER  23  17.173 -22.144   2.125
 1312   2HB   SER  23          2HB       SER  23  16.815 -22.651   0.474
 1313    HG   SER  23           HG       SER  23  18.622 -21.790  -0.087
 1314    H    PHE  24           H        PHE  24  16.970 -18.685  -0.177
 1315    HA   PHE  24           HA       PHE  24  15.503 -19.221  -2.733
 1316   1HB   PHE  24          1HB       PHE  24  16.551 -16.773  -1.300
 1317   2HB   PHE  24          2HB       PHE  24  16.160 -16.706  -3.017
 1318    HD1  PHE  24           HD1      PHE  24  14.860 -16.515   0.306
 1319    HD2  PHE  24           HD2      PHE  24  13.808 -17.549  -3.729
 1320    HE1  PHE  24           HE1      PHE  24  12.459 -16.248   0.864
 1321    HE2  PHE  24           HE2      PHE  24  11.406 -17.282  -3.169
 1322    HZ   PHE  24           HZ       PHE  24  10.732 -16.631  -0.873
 1323    H    GLU  25           H        GLU  25  16.758 -18.466  -4.715
 1324    HA   GLU  25           HA       GLU  25  19.604 -19.348  -4.482
 1325   1HB   GLU  25          1HB       GLU  25  17.665 -20.318  -6.025
 1326   2HB   GLU  25          2HB       GLU  25  18.106 -18.960  -7.059
 1327   1HG   GLU  25          1HG       GLU  25  20.539 -20.133  -6.226
 1328   2HG   GLU  25          2HG       GLU  25  19.482 -21.469  -6.682
 1329    H    LYS  26           H        LYS  26  20.661 -18.196  -6.754
 1330    HA   LYS  26           HA       LYS  26  20.973 -15.406  -5.935
 1331   1HB   LYS  26          1HB       LYS  26  22.769 -16.977  -6.772
 1332   2HB   LYS  26          2HB       LYS  26  22.021 -16.895  -8.367
 1333   1HG   LYS  26          1HG       LYS  26  22.366 -14.469  -8.431
 1334   2HG   LYS  26          2HG       LYS  26  23.047 -14.505  -6.804
 1335   1HD   LYS  26          1HD       LYS  26  24.929 -15.819  -7.544
 1336   2HD   LYS  26          2HD       LYS  26  24.199 -16.070  -9.130
 1337   1HE   LYS  26          1HE       LYS  26  24.225 -13.294  -8.865
 1338   2HE   LYS  26          2HE       LYS  26  25.775 -13.802  -8.167
 1339   1HZ   LYS  26          1HZ       LYS  26  24.658 -14.502 -10.829
 1340   2HZ   LYS  26          2HZ       LYS  26  25.975 -15.324 -10.141
 1341   3HZ   LYS  26          3HZ       LYS  26  26.101 -13.669 -10.499
 1342    H    GLY  27           H        GLY  27  18.543 -16.840  -7.664
 1343   1HA   GLY  27          1HA       GLY  27  17.827 -14.304  -8.949
 1344   2HA   GLY  27          2HA       GLY  27  18.134 -15.629 -10.072
 1345    H    GLU  28           H        GLU  28  16.034 -14.522  -7.458
 1346    HA   GLU  28           HA       GLU  28  13.877 -16.259  -8.526
 1347   1HB   GLU  28          1HB       GLU  28  15.075 -16.365  -5.740
 1348   2HB   GLU  28          2HB       GLU  28  13.486 -17.035  -6.111
 1349   1HG   GLU  28          1HG       GLU  28  14.755 -18.261  -8.052
 1350   2HG   GLU  28          2HG       GLU  28  16.188 -17.927  -7.080
 1351    H    LEU  29           H        LEU  29  11.796 -15.435  -8.030
 1352    HA   LEU  29           HA       LEU  29  11.730 -12.623  -7.157
 1353   1HB   LEU  29          1HB       LEU  29  10.490 -13.830  -9.112
 1354   2HB   LEU  29          2HB       LEU  29   9.394 -14.412  -7.862
 1355    HG   LEU  29           HG       LEU  29   8.577 -12.319  -8.929
 1356   1HD1  LEU  29          1HD1      LEU  29   8.415 -12.975  -6.352
 1357   2HD1  LEU  29          2HD1      LEU  29   7.788 -11.437  -6.944
 1358   3HD1  LEU  29          3HD1      LEU  29   9.369 -11.503  -6.164
 1359   1HD2  LEU  29          1HD2      LEU  29  11.277 -11.573  -8.748
 1360   2HD2  LEU  29          2HD2      LEU  29  10.436 -10.528  -7.603
 1361   3HD2  LEU  29          3HD2      LEU  29   9.939 -10.563  -9.295
 1362    H    VAL  30           H        VAL  30  11.384 -12.088  -5.043
 1363    HA   VAL  30           HA       VAL  30  10.545 -14.111  -3.089
 1364    HB   VAL  30           HB       VAL  30  11.098 -11.124  -2.903
 1365   1HG1  VAL  30          1HG1      VAL  30  11.568 -11.784  -0.468
 1366   2HG1  VAL  30          2HG1      VAL  30  10.720 -13.289  -0.826
 1367   3HG1  VAL  30          3HG1      VAL  30   9.873 -11.747  -0.956
 1368   1HG2  VAL  30          1HG2      VAL  30  12.849 -13.561  -2.473
 1369   2HG2  VAL  30          2HG2      VAL  30  13.305 -11.925  -1.998
 1370   3HG2  VAL  30          3HG2      VAL  30  13.056 -12.311  -3.700
 1371    H    GLU  31           H        GLU  31   9.258 -10.936  -4.151
 1372    HA   GLU  31           HA       GLU  31   6.501 -11.921  -3.986
 1373   1HB   GLU  31          1HB       GLU  31   5.896 -10.355  -2.156
 1374   2HB   GLU  31          2HB       GLU  31   7.126 -11.499  -1.620
 1375   1HG   GLU  31          1HG       GLU  31   8.670  -9.477  -2.645
 1376   2HG   GLU  31          2HG       GLU  31   7.305  -8.577  -1.982
 1377    H    GLU  32           H        GLU  32   4.987  -9.853  -4.270
 1378    HA   GLU  32           HA       GLU  32   6.216  -7.561  -5.612
 1379   1HB   GLU  32          1HB       GLU  32   5.242  -8.154  -7.835
 1380   2HB   GLU  32          2HB       GLU  32   6.432  -9.342  -7.304
 1381   1HG   GLU  32          1HG       GLU  32   4.373 -10.572  -6.266
 1382   2HG   GLU  32          2HG       GLU  32   3.431  -9.576  -7.375
 1383    H    CYS  33           H        CYS  33   4.668  -5.896  -5.978
 1384    HA   CYS  33           HA       CYS  33   1.807  -6.489  -5.431
 1385   1HB   CYS  33          1HB       CYS  33   3.504  -5.762  -3.410
 1386   2HB   CYS  33          2HB       CYS  33   2.959  -4.179  -3.962
 1387    HG   CYS  33           HG       CYS  33   0.470  -5.634  -3.731
 1388    H    LEU  34           H        LEU  34   1.078  -3.741  -5.131
 1389    HA   LEU  34           HA       LEU  34   1.674  -2.744  -7.890
 1390   1HB   LEU  34          1HB       LEU  34  -0.626  -2.168  -5.984
 1391   2HB   LEU  34          2HB       LEU  34  -0.524  -1.651  -7.667
 1392    HG   LEU  34           HG       LEU  34  -0.576  -4.529  -6.704
 1393   1HD1  LEU  34          1HD1      LEU  34  -2.643  -2.650  -7.808
 1394   2HD1  LEU  34          2HD1      LEU  34  -2.788  -3.813  -6.490
 1395   3HD1  LEU  34          3HD1      LEU  34  -2.763  -4.373  -8.162
 1396   1HD2  LEU  34          1HD2      LEU  34  -0.034  -3.221  -9.322
 1397   2HD2  LEU  34          2HD2      LEU  34  -1.071  -4.647  -9.351
 1398   3HD2  LEU  34          3HD2      LEU  34   0.559  -4.756  -8.688
 1399    H    CYS  35           H        CYS  35   1.211  -0.169  -7.853
 1400    HA   CYS  35           HA       CYS  35   2.462   1.074  -5.448
 1401   1HB   CYS  35          1HB       CYS  35   3.444   1.254  -8.323
 1402   2HB   CYS  35          2HB       CYS  35   4.086   2.210  -6.988
 1403    HG   CYS  35           HG       CYS  35   5.472   0.273  -6.333
 1404    H    ILE  36           H        ILE  36   2.488   3.580  -5.834
 1405    HA   ILE  36           HA       ILE  36  -0.044   4.341  -7.261
 1406    HB   ILE  36           HB       ILE  36   1.320   5.584  -4.842
 1407   1HG1  ILE  36          1HG1      ILE  36  -1.175   3.869  -5.045
 1408   2HG1  ILE  36          2HG1      ILE  36   0.370   3.348  -4.373
 1409   1HG2  ILE  36          1HG2      ILE  36  -1.522   6.103  -5.581
 1410   2HG2  ILE  36          2HG2      ILE  36  -0.279   6.887  -6.555
 1411   3HG2  ILE  36          3HG2      ILE  36  -0.347   7.173  -4.816
 1412   1HD1  ILE  36          1HD1      ILE  36   0.173   4.740  -2.500
 1413   2HD1  ILE  36          2HD1      ILE  36  -1.495   4.226  -2.752
 1414   3HD1  ILE  36          3HD1      ILE  36  -0.971   5.818  -3.299
 1415    H    VAL  37           H        VAL  37   0.308   5.685  -8.995
 1416    HA   VAL  37           HA       VAL  37   2.980   6.962  -9.259
 1417    HB   VAL  37           HB       VAL  37   0.676   6.681 -11.224
 1418   1HG1  VAL  37          1HG1      VAL  37   3.621   7.056 -11.797
 1419   2HG1  VAL  37          2HG1      VAL  37   2.521   8.423 -11.620
 1420   3HG1  VAL  37          3HG1      VAL  37   2.264   7.246 -12.909
 1421   1HG2  VAL  37          1HG2      VAL  37   1.749   4.697 -12.044
 1422   2HG2  VAL  37          2HG2      VAL  37   1.634   4.505 -10.294
 1423   3HG2  VAL  37          3HG2      VAL  37   3.167   4.972 -11.031
 1424    H    ARG  38           H        ARG  38   2.883   8.878  -8.062
 1425    HA   ARG  38           HA       ARG  38   0.708  10.806  -8.806
 1426   1HB   ARG  38          1HB       ARG  38   2.180  10.177  -6.243
 1427   2HB   ARG  38          2HB       ARG  38   1.404  11.745  -6.458
 1428   1HG   ARG  38          1HG       ARG  38   0.054   9.034  -6.644
 1429   2HG   ARG  38          2HG       ARG  38  -0.144  10.211  -5.346
 1430   1HD   ARG  38          1HD       ARG  38  -1.873  11.075  -6.544
 1431   2HD   ARG  38          2HD       ARG  38  -0.676  11.636  -7.724
 1432    HE   ARG  38           HE       ARG  38  -1.350   8.801  -8.001
 1433   1HH1  ARG  38          1HH1      ARG  38  -2.185  12.066  -8.875
 1434   2HH1  ARG  38          2HH1      ARG  38  -2.994  11.587 -10.326
 1435   1HH2  ARG  38          1HH2      ARG  38  -2.406   8.205  -9.890
 1436   2HH2  ARG  38          2HH2      ARG  38  -3.120   9.419 -10.898
 1437    H    HIS  39           H        HIS  39   1.719  13.145  -7.943
 1438    HA   HIS  39           HA       HIS  39   4.195  13.471  -9.583
 1439   1HB   HIS  39          1HB       HIS  39   2.074  15.415  -8.594
 1440   2HB   HIS  39          2HB       HIS  39   3.419  15.845  -9.651
 1441    HD1  HIS  39           HD1      HIS  39   0.013  15.247  -9.979
 1442    HD2  HIS  39           HD2      HIS  39   3.317  13.657 -11.963
 1443    HE1  HIS  39           HE1      HIS  39  -0.847  14.317 -12.172
 1444    H    ASN  40           H        ASN  40   5.097  15.885  -8.555
 1445    HA   ASN  40           HA       ASN  40   6.249  15.018  -5.969
 1446   1HB   ASN  40          1HB       ASN  40   6.784  17.406  -7.778
 1447   2HB   ASN  40          2HB       ASN  40   7.811  16.871  -6.448
 1448   1HD2  ASN  40          1HD2      ASN  40   7.940  16.866  -9.654
 1449   2HD2  ASN  40          2HD2      ASN  40   8.607  15.337  -9.967
 1450    H    ASP  41           H        ASP  41   6.648  18.084  -5.467
 1451    HA   ASP  41           HA       ASP  41   5.608  19.718  -4.141
 1452   1HB   ASP  41          1HB       ASP  41   3.142  18.626  -5.549
 1453   2HB   ASP  41          2HB       ASP  41   3.308  20.224  -4.827
 1454    H    ASP  42           H        ASP  42   2.637  19.153  -3.302
 1455    HA   ASP  42           HA       ASP  42   2.981  18.403  -0.673
 1456   1HB   ASP  42          1HB       ASP  42   0.740  17.816  -2.633
 1457   2HB   ASP  42          2HB       ASP  42   0.569  17.610  -0.890
 1458    H    TRP  43           H        TRP  43   2.550  16.156  -3.420
 1459    HA   TRP  43           HA       TRP  43   2.317  13.738  -1.955
 1460   1HB   TRP  43          1HB       TRP  43   1.946  13.988  -4.376
 1461   2HB   TRP  43          2HB       TRP  43   3.653  14.364  -4.616
 1462    HD1  TRP  43           HD1      TRP  43   5.225  12.391  -5.022
 1463    HE1  TRP  43           HE1      TRP  43   5.024   9.826  -4.865
 1464    HE3  TRP  43           HE3      TRP  43   0.602  12.000  -2.893
 1465    HZ2  TRP  43           HZ2      TRP  43   3.149   7.867  -3.954
 1466    HZ3  TRP  43           HZ3      TRP  43  -0.365   9.775  -2.392
 1467    HH2  TRP  43           HH2      TRP  43   0.900   7.710  -2.918
 1468    H    GLY  44           H        GLY  44   5.250  15.398  -3.156
 1469   1HA   GLY  44          1HA       GLY  44   7.083  13.442  -2.107
 1470   2HA   GLY  44          2HA       GLY  44   7.509  15.079  -2.602
 1471    H    THR  45           H        THR  45   5.344  16.080  -0.665
 1472    HA   THR  45           HA       THR  45   7.143  16.291   1.656
 1473    HB   THR  45           HB       THR  45   4.345  17.391   1.232
 1474    HG1  THR  45           HG1      THR  45   5.641  19.254   0.483
 1475   1HG2  THR  45          1HG2      THR  45   6.707  18.501   2.774
 1476   2HG2  THR  45          2HG2      THR  45   5.416  17.551   3.510
 1477   3HG2  THR  45          3HG2      THR  45   5.052  19.113   2.777
 1478    H    ALA  46           H        ALA  46   3.639  15.545   1.377
 1479    HA   ALA  46           HA       ALA  46   3.340  14.421   3.958
 1480   1HB   ALA  46          1HB       ALA  46   1.413  15.002   2.686
 1481   2HB   ALA  46          2HB       ALA  46   1.374  13.239   2.734
 1482   3HB   ALA  46          3HB       ALA  46   1.955  14.069   1.290
 1483    H    LEU  47           H        LEU  47   3.740  12.651   0.857
 1484    HA   LEU  47           HA       LEU  47   4.344  10.170   2.344
 1485   1HB   LEU  47          1HB       LEU  47   3.937  10.983  -0.545
 1486   2HB   LEU  47          2HB       LEU  47   4.511   9.370  -0.129
 1487    HG   LEU  47           HG       LEU  47   2.093   9.300  -0.371
 1488   1HD1  LEU  47          1HD1      LEU  47   2.233   9.321   2.588
 1489   2HD1  LEU  47          2HD1      LEU  47   3.446   8.330   1.778
 1490   3HD1  LEU  47          3HD1      LEU  47   1.731   8.033   1.493
 1491   1HD2  LEU  47          1HD2      LEU  47   1.883  11.336   1.851
 1492   2HD2  LEU  47          2HD2      LEU  47   0.601  10.739   0.797
 1493   3HD2  LEU  47          3HD2      LEU  47   1.855  11.796   0.149
 1494    H    GLU  48           H        GLU  48   6.331  11.955   2.946
 1495    HA   GLU  48           HA       GLU  48   8.568  11.613   1.041
 1496   1HB   GLU  48          1HB       GLU  48   9.695  13.118   2.665
 1497   2HB   GLU  48          2HB       GLU  48   8.112  13.753   2.217
 1498   1HG   GLU  48          1HG       GLU  48   7.597  13.805   4.411
 1499   2HG   GLU  48          2HG       GLU  48   7.636  12.042   4.400
 1500    H    ASP  49           H        ASP  49   7.982   9.098   1.771
 1501    HA   ASP  49           HA       ASP  49  10.289   8.311   3.432
 1502   1HB   ASP  49          1HB       ASP  49   7.485   8.408   4.342
 1503   2HB   ASP  49          2HB       ASP  49   8.256   6.845   4.612
 1504    H    TYR  50           H        TYR  50   7.266   6.571   2.733
 1505    HA   TYR  50           HA       TYR  50   8.810   4.441   1.372
 1506   1HB   TYR  50          1HB       TYR  50   5.811   4.625   1.811
 1507   2HB   TYR  50          2HB       TYR  50   6.790   3.170   1.652
 1508    HD1  TYR  50           HD1      TYR  50   4.836   4.339   3.955
 1509    HD2  TYR  50           HD2      TYR  50   9.085   3.921   3.466
 1510    HE1  TYR  50           HE1      TYR  50   5.114   4.277   6.418
 1511    HE2  TYR  50           HE2      TYR  50   9.361   3.859   5.930
 1512    HH   TYR  50           HH       TYR  50   7.640   3.132   7.953
 1513    H    LEU  51           H        LEU  51   8.900   6.792  -0.112
 1514    HA   LEU  51           HA       LEU  51   6.881   6.367  -2.286
 1515   1HB   LEU  51          1HB       LEU  51   7.328   8.548  -0.737
 1516   2HB   LEU  51          2HB       LEU  51   8.469   8.879  -2.039
 1517    HG   LEU  51           HG       LEU  51   6.607   8.517  -3.681
 1518   1HD1  LEU  51          1HD1      LEU  51   4.754   7.481  -2.926
 1519   2HD1  LEU  51          2HD1      LEU  51   4.371   8.945  -2.021
 1520   3HD1  LEU  51          3HD1      LEU  51   5.288   7.648  -1.253
 1521   1HD2  LEU  51          1HD2      LEU  51   6.893  10.701  -1.757
 1522   2HD2  LEU  51          2HD2      LEU  51   5.264  10.610  -2.428
 1523   3HD2  LEU  51          3HD2      LEU  51   6.653  10.772  -3.503
 1524    H    PHE  52           H        PHE  52   7.888   5.185  -3.889
 1525    HA   PHE  52           HA       PHE  52  10.751   5.635  -4.520
 1526   1HB   PHE  52          1HB       PHE  52   8.564   3.700  -5.240
 1527   2HB   PHE  52          2HB       PHE  52   9.955   3.836  -6.315
 1528    HD1  PHE  52           HD1      PHE  52  12.148   3.073  -5.643
 1529    HD2  PHE  52           HD2      PHE  52   8.855   2.984  -2.887
 1530    HE1  PHE  52           HE1      PHE  52  13.479   1.661  -4.099
 1531    HE2  PHE  52           HE2      PHE  52  10.185   1.572  -1.342
 1532    HZ   PHE  52           HZ       PHE  52  12.497   0.910  -1.948
 1533    H    SER  53           H        SER  53  10.984   7.569  -5.653
 1534    HA   SER  53           HA       SER  53   8.944   8.294  -7.685
 1535   1HB   SER  53          1HB       SER  53   9.808  10.479  -7.406
 1536   2HB   SER  53          2HB       SER  53  10.000   9.774  -5.801
 1537    HG   SER  53           HG       SER  53  11.869  10.847  -7.165
 1538    H    ARG  54           H        ARG  54   9.676   9.037  -9.817
 1539    HA   ARG  54           HA       ARG  54  12.241   7.768 -10.714
 1540   1HB   ARG  54          1HB       ARG  54   9.572   7.059 -11.304
 1541   2HB   ARG  54          2HB       ARG  54  10.155   7.902 -12.739
 1542   1HG   ARG  54          1HG       ARG  54  12.225   6.423 -12.614
 1543   2HG   ARG  54          2HG       ARG  54  11.368   5.475 -11.399
 1544   1HD   ARG  54          1HD       ARG  54  10.811   4.340 -13.388
 1545   2HD   ARG  54          2HD       ARG  54   9.440   5.453 -13.216
 1546    HE   ARG  54           HE       ARG  54  11.533   6.820 -14.586
 1547   1HH1  ARG  54          1HH1      ARG  54   9.307   4.184 -15.051
 1548   2HH1  ARG  54          2HH1      ARG  54   9.250   4.390 -16.767
 1549   1HH2  ARG  54          1HH2      ARG  54  11.443   7.067 -16.815
 1550   2HH2  ARG  54          2HH2      ARG  54  10.450   6.009 -17.760
 1551    H    LYS  55           H        LYS  55  12.509   8.671 -13.194
 1552    HA   LYS  55           HA       LYS  55  12.864  11.552 -12.883
 1553   1HB   LYS  55          1HB       LYS  55  13.642   9.344 -14.686
 1554   2HB   LYS  55          2HB       LYS  55  13.451  10.898 -15.498
 1555   1HG   LYS  55          1HG       LYS  55  15.120  11.922 -14.205
 1556   2HG   LYS  55          2HG       LYS  55  14.995  10.720 -12.920
 1557   1HD   LYS  55          1HD       LYS  55  16.405   9.270 -13.970
 1558   2HD   LYS  55          2HD       LYS  55  15.748   9.635 -15.565
 1559   1HE   LYS  55          1HE       LYS  55  17.243  11.863 -14.304
 1560   2HE   LYS  55          2HE       LYS  55  18.221  10.451 -14.747
 1561   1HZ   LYS  55          1HZ       LYS  55  17.941  11.978 -16.627
 1562   2HZ   LYS  55          2HZ       LYS  55  16.254  11.816 -16.517
 1563   3HZ   LYS  55          3HZ       LYS  55  17.211  10.477 -16.939
 1564    H    ASN  56           H        ASN  56  10.603  12.190 -12.698
 1565    HA   ASN  56           HA       ASN  56   8.849  11.778 -15.041
 1566   1HB   ASN  56          1HB       ASN  56   9.532  14.584 -14.155
 1567   2HB   ASN  56          2HB       ASN  56  10.543  13.751 -15.336
 1568   1HD2  ASN  56          1HD2      ASN  56   8.321  16.038 -15.424
 1569   2HD2  ASN  56          2HD2      ASN  56   7.404  15.587 -16.779
 1570    H    MET  57           H        MET  57   8.982  11.407 -11.962
 1571    HA   MET  57           HA       MET  57   7.050  13.199 -10.789
 1572   1HB   MET  57          1HB       MET  57   5.101  11.655 -10.919
 1573   2HB   MET  57          2HB       MET  57   5.640  12.135 -12.526
 1574   1HG   MET  57          1HG       MET  57   7.162   9.852 -11.832
 1575   2HG   MET  57          2HG       MET  57   5.498   9.489 -11.376
 1576   1HE   MET  57          1HE       MET  57   4.113  11.616 -13.880
 1577   2HE   MET  57          2HE       MET  57   3.612  10.387 -12.718
 1578   3HE   MET  57          3HE       MET  57   3.434  10.090 -14.447
 1579    H    SER  58           H        SER  58   5.770  11.597  -8.996
 1580    HA   SER  58           HA       SER  58   7.906   9.928  -7.720
 1581   1HB   SER  58          1HB       SER  58   6.247  12.222  -6.672
 1582   2HB   SER  58          2HB       SER  58   6.874  11.006  -5.560
 1583    HG   SER  58           HG       SER  58   8.782  11.828  -5.765
 1584    H    ALA  59           H        ALA  59   7.111   7.965  -6.964
 1585    HA   ALA  59           HA       ALA  59   4.130   7.678  -6.811
 1586   1HB   ALA  59          1HB       ALA  59   4.837   6.605  -8.815
 1587   2HB   ALA  59          2HB       ALA  59   4.726   5.286  -7.650
 1588   3HB   ALA  59          3HB       ALA  59   6.298   5.974  -8.057
 1589    H    MET  60           H        MET  60   3.479   5.736  -5.466
 1590    HA   MET  60           HA       MET  60   5.174   5.585  -3.022
 1591   1HB   MET  60          1HB       MET  60   2.714   6.188  -2.996
 1592   2HB   MET  60          2HB       MET  60   2.367   4.560  -3.579
 1593   1HG   MET  60          1HG       MET  60   2.968   3.564  -1.580
 1594   2HG   MET  60          2HG       MET  60   4.109   4.843  -1.166
 1595   1HE   MET  60          1HE       MET  60   2.388   6.209   1.641
 1596   2HE   MET  60          2HE       MET  60   3.454   6.925   0.432
 1597   3HE   MET  60          3HE       MET  60   3.708   5.261   0.957
 1598    H    ALA  61           H        ALA  61   5.264   3.346  -1.979
 1599    HA   ALA  61           HA       ALA  61   6.204   1.417  -3.964
 1600   1HB   ALA  61          1HB       ALA  61   6.577   2.091  -1.211
 1601   2HB   ALA  61          2HB       ALA  61   7.516   0.955  -2.181
 1602   3HB   ALA  61          3HB       ALA  61   6.106   0.393  -1.283
 1603    H    LEU  62           H        LEU  62   3.747   1.208  -1.324
 1604    HA   LEU  62           HA       LEU  62   2.125  -0.561  -3.068
 1605   1HB   LEU  62          1HB       LEU  62   1.005  -0.186  -0.468
 1606   2HB   LEU  62          2HB       LEU  62   1.690   1.355  -0.975
 1607    HG   LEU  62           HG       LEU  62   0.439   0.399  -3.273
 1608   1HD1  LEU  62          1HD1      LEU  62  -0.624  -1.044  -1.147
 1609   2HD1  LEU  62          2HD1      LEU  62  -1.386  -0.815  -2.721
 1610   3HD1  LEU  62          3HD1      LEU  62  -1.781   0.264  -1.382
 1611   1HD2  LEU  62          1HD2      LEU  62  -0.985   2.290  -2.995
 1612   2HD2  LEU  62          2HD2      LEU  62   0.519   2.729  -2.185
 1613   3HD2  LEU  62          3HD2      LEU  62  -0.875   2.208  -1.237
 1614    H    GLY  63           H        GLY  63   3.690  -2.395  -2.920
 1615   1HA   GLY  63          1HA       GLY  63   2.913  -4.288  -0.905
 1616   2HA   GLY  63          2HA       GLY  63   4.227  -4.512  -2.058
 1617    H    PHE  64           H        PHE  64   5.776  -5.285  -0.611
 1618    HA   PHE  64           HA       PHE  64   6.309  -3.961   1.941
 1619   1HB   PHE  64          1HB       PHE  64   7.457  -6.209   0.290
 1620   2HB   PHE  64          2HB       PHE  64   8.332  -5.629   1.706
 1621    HD1  PHE  64           HD1      PHE  64   4.780  -6.440   0.771
 1622    HD2  PHE  64           HD2      PHE  64   7.912  -6.760   3.694
 1623    HE1  PHE  64           HE1      PHE  64   3.276  -7.757   2.239
 1624    HE2  PHE  64           HE2      PHE  64   6.407  -8.076   5.162
 1625    HZ   PHE  64           HZ       PHE  64   4.089  -8.575   4.434
 1626    H    GLY  65           H        GLY  65   6.531  -1.909   0.219
 1627   1HA   GLY  65          1HA       GLY  65   9.326  -1.669  -0.708
 1628   2HA   GLY  65          2HA       GLY  65   8.043  -0.488  -0.977
 1629    H    ALA  66           H        ALA  66   7.145  -0.149   1.666
 1630    HA   ALA  66           HA       ALA  66   9.022   1.753   2.686
 1631   1HB   ALA  66          1HB       ALA  66   6.706   0.273   3.986
 1632   2HB   ALA  66          2HB       ALA  66   6.582   1.772   3.068
 1633   3HB   ALA  66          3HB       ALA  66   7.436   1.751   4.611
 1634    H    ILE  67           H        ILE  67   8.169  -1.527   3.843
 1635    HA   ILE  67           HA       ILE  67   9.783  -1.716   6.093
 1636    HB   ILE  67           HB       ILE  67   9.851  -4.172   5.504
 1637   1HG1  ILE  67          1HG1      ILE  67   8.413  -4.687   3.405
 1638   2HG1  ILE  67          2HG1      ILE  67   8.840  -3.058   2.888
 1639   1HG2  ILE  67          1HG2      ILE  67   7.482  -4.464   5.699
 1640   2HG2  ILE  67          2HG2      ILE  67   7.163  -2.914   4.921
 1641   3HG2  ILE  67          3HG2      ILE  67   7.866  -2.961   6.538
 1642   1HD1  ILE  67          1HD1      ILE  67  10.935  -3.693   2.335
 1643   2HD1  ILE  67          2HD1      ILE  67  10.372  -5.353   2.514
 1644   3HD1  ILE  67          3HD1      ILE  67  11.157  -4.538   3.867
 1645    H    PHE  68           H        PHE  68  10.887  -1.563   2.764
 1646    HA   PHE  68           HA       PHE  68  13.375  -2.826   2.864
 1647   1HB   PHE  68          1HB       PHE  68  12.279  -0.356   1.543
 1648   2HB   PHE  68          2HB       PHE  68  13.984  -0.740   1.342
 1649    HD1  PHE  68           HD1      PHE  68  13.936  -3.715   1.293
 1650    HD2  PHE  68           HD2      PHE  68  11.311  -0.856  -0.554
 1651    HE1  PHE  68           HE1      PHE  68  13.345  -5.376  -0.445
 1652    HE2  PHE  68           HE2      PHE  68  10.723  -2.521  -2.290
 1653    HZ   PHE  68           HZ       PHE  68  11.739  -4.780  -2.237
 1654    H    ASN  69           H        ASN  69  14.877  -2.654   4.474
 1655    HA   ASN  69           HA       ASN  69  15.217  -0.047   5.878
 1656   1HB   ASN  69          1HB       ASN  69  15.992  -2.929   6.429
 1657   2HB   ASN  69          2HB       ASN  69  16.487  -1.596   7.470
 1658   1HD2  ASN  69          1HD2      ASN  69  14.917  -3.418   8.737
 1659   2HD2  ASN  69          2HD2      ASN  69  13.326  -2.856   8.915
 1660    H    HIS  70           H        HIS  70  17.777  -0.305   6.822
 1661    HA   HIS  70           HA       HIS  70  19.395   0.191   4.388
 1662   1HB   HIS  70          1HB       HIS  70  19.087   1.554   6.672
 1663   2HB   HIS  70          2HB       HIS  70  20.379   0.481   7.207
 1664    HD1  HIS  70           HD1      HIS  70  20.229   3.718   6.159
 1665    HD2  HIS  70           HD2      HIS  70  22.307   0.463   4.589
 1666    HE1  HIS  70           HE1      HIS  70  22.127   4.676   4.786
 1667    H    SER  71           H        SER  71  21.179  -1.081   3.837
 1668    HA   SER  71           HA       SER  71  22.242  -3.086   5.716
 1669   1HB   SER  71          1HB       SER  71  20.041  -3.759   4.255
 1670   2HB   SER  71          2HB       SER  71  21.316  -4.223   3.129
 1671    HG   SER  71           HG       SER  71  21.837  -5.814   4.383
 1672    H    LYS  72           H        LYS  72  24.341  -3.702   5.121
 1673    HA   LYS  72           HA       LYS  72  25.593  -2.156   2.950
 1674   1HB   LYS  72          1HB       LYS  72  26.634  -2.403   5.165
 1675   2HB   LYS  72          2HB       LYS  72  26.629  -4.159   4.992
 1676   1HG   LYS  72          1HG       LYS  72  28.831  -3.491   4.388
 1677   2HG   LYS  72          2HG       LYS  72  28.010  -3.779   2.854
 1678   1HD   LYS  72          1HD       LYS  72  29.118  -1.685   2.588
 1679   2HD   LYS  72          2HD       LYS  72  27.425  -1.282   2.877
 1680   1HE   LYS  72          1HE       LYS  72  28.604   0.167   4.347
 1681   2HE   LYS  72          2HE       LYS  72  28.131  -1.182   5.398
 1682   1HZ   LYS  72          1HZ       LYS  72  30.696  -1.022   3.898
 1683   2HZ   LYS  72          2HZ       LYS  72  30.247  -2.226   5.009
 1684   3HZ   LYS  72          3HZ       LYS  72  30.528  -0.639   5.544
 1685    H    ASP  73           H        ASP  73  24.360  -5.369   3.429
 1686    HA   ASP  73           HA       ASP  73  25.636  -6.215   0.847
 1687   1HB   ASP  73          1HB       ASP  73  25.568  -8.505   1.846
 1688   2HB   ASP  73          2HB       ASP  73  26.521  -7.392   2.828
 1689    HA   PRO  74           HA       PRO  74  20.968  -6.033   0.489
 1690   1HB   PRO  74          1HB       PRO  74  21.748  -5.382  -2.308
 1691   2HB   PRO  74          2HB       PRO  74  20.578  -4.571  -1.252
 1692   1HG   PRO  74          1HG       PRO  74  22.971  -3.501  -1.841
 1693   2HG   PRO  74          2HG       PRO  74  22.173  -3.249  -0.282
 1694   1HD   PRO  74          1HD       PRO  74  24.490  -4.981  -0.966
 1695   2HD   PRO  74          2HD       PRO  74  24.126  -4.113   0.540
 1696    H    ASN  75           H        ASN  75  20.533  -8.239   0.519
 1697    HA   ASN  75           HA       ASN  75  21.746 -10.056  -1.450
 1698   1HB   ASN  75          1HB       ASN  75  20.475 -11.734  -0.134
 1699   2HB   ASN  75          2HB       ASN  75  21.376 -10.652   0.929
 1700   1HD2  ASN  75          1HD2      ASN  75  19.273 -11.856   2.166
 1701   2HD2  ASN  75          2HD2      ASN  75  17.955 -10.799   2.336
 1702    H    ALA  76           H        ALA  76  18.908  -8.108  -1.282
 1703    HA   ALA  76           HA       ALA  76  17.844  -9.490  -3.703
 1704   1HB   ALA  76          1HB       ALA  76  15.543  -9.007  -2.458
 1705   2HB   ALA  76          2HB       ALA  76  16.563  -9.045  -1.020
 1706   3HB   ALA  76          3HB       ALA  76  16.472 -10.456  -2.074
 1707    H    ARG  77           H        ARG  77  16.949  -8.048  -5.187
 1708    HA   ARG  77           HA       ARG  77  16.973  -5.154  -4.404
 1709   1HB   ARG  77          1HB       ARG  77  18.113  -6.696  -6.547
 1710   2HB   ARG  77          2HB       ARG  77  16.950  -5.563  -7.234
 1711   1HG   ARG  77          1HG       ARG  77  18.061  -3.764  -5.800
 1712   2HG   ARG  77          2HG       ARG  77  19.341  -4.936  -5.488
 1713   1HD   ARG  77          1HD       ARG  77  18.582  -4.596  -8.344
 1714   2HD   ARG  77          2HD       ARG  77  19.415  -3.224  -7.590
 1715    HE   ARG  77           HE       ARG  77  20.732  -5.625  -6.791
 1716   1HH1  ARG  77          1HH1      ARG  77  20.193  -3.679  -9.627
 1717   2HH1  ARG  77          2HH1      ARG  77  21.679  -4.157 -10.371
 1718   1HH2  ARG  77          1HH2      ARG  77  22.655  -6.230  -7.778
 1719   2HH2  ARG  77          2HH2      ARG  77  23.064  -5.590  -9.334
 1720    H    HIS  78           H        HIS  78  15.460  -3.957  -6.203
 1721    HA   HIS  78           HA       HIS  78  12.834  -5.414  -6.202
 1722   1HB   HIS  78          1HB       HIS  78  11.859  -3.154  -5.773
 1723   2HB   HIS  78          2HB       HIS  78  12.993  -3.624  -4.507
 1724    HD1  HIS  78           HD1      HIS  78  15.340  -2.448  -4.503
 1725    HD2  HIS  78           HD2      HIS  78  12.687  -0.958  -7.354
 1726    HE1  HIS  78           HE1      HIS  78  16.330  -0.270  -5.335
 1727    H    GLU  79           H        GLU  79  11.345  -4.670  -7.941
 1728    HA   GLU  79           HA       GLU  79  12.753  -3.425 -10.275
 1729   1HB   GLU  79          1HB       GLU  79  12.718  -5.900 -10.446
 1730   2HB   GLU  79          2HB       GLU  79  10.968  -5.889 -10.229
 1731   1HG   GLU  79          1HG       GLU  79  11.423  -6.054 -12.603
 1732   2HG   GLU  79          2HG       GLU  79  10.799  -4.436 -12.281
 1733    H    LEU  80           H        LEU  80  11.304  -2.326 -11.747
 1734    HA   LEU  80           HA       LEU  80   8.518  -1.922 -10.722
 1735   1HB   LEU  80          1HB       LEU  80   9.896  -0.063  -9.995
 1736   2HB   LEU  80          2HB       LEU  80  10.628   0.085 -11.592
 1737    HG   LEU  80           HG       LEU  80   8.366   0.636 -12.516
 1738   1HD1  LEU  80          1HD1      LEU  80   6.503   0.454 -11.256
 1739   2HD1  LEU  80          2HD1      LEU  80   7.223   1.395  -9.949
 1740   3HD1  LEU  80          3HD1      LEU  80   7.502  -0.344 -10.041
 1741   1HD2  LEU  80          1HD2      LEU  80  10.150   2.299 -11.462
 1742   2HD2  LEU  80          2HD2      LEU  80   8.863   2.572 -10.287
 1743   3HD2  LEU  80          3HD2      LEU  80   8.576   2.887 -11.998
 1744    H    THR  81           H        THR  81   6.960  -1.832 -12.355
 1745    HA   THR  81           HA       THR  81   7.734  -2.681 -15.037
 1746    HB   THR  81           HB       THR  81   5.161  -2.242 -15.303
 1747    HG1  THR  81           HG1      THR  81   5.076  -0.854 -13.472
 1748   1HG2  THR  81          1HG2      THR  81   5.953  -4.483 -15.049
 1749   2HG2  THR  81          2HG2      THR  81   4.697  -4.279 -13.828
 1750   3HG2  THR  81          3HG2      THR  81   6.397  -4.209 -13.365
 1751    H    ALA  82           H        ALA  82   6.143  -1.273 -16.749
 1752    HA   ALA  82           HA       ALA  82   7.525   1.330 -16.891
 1753   1HB   ALA  82          1HB       ALA  82   6.772  -0.593 -18.692
 1754   2HB   ALA  82          2HB       ALA  82   7.124   1.076 -19.138
 1755   3HB   ALA  82          3HB       ALA  82   5.456   0.567 -18.876
 1756    H    GLY  83           H        GLY  83   6.575   2.912 -15.629
 1757   1HA   GLY  83          1HA       GLY  83   4.679   4.572 -15.846
 1758   2HA   GLY  83          2HA       GLY  83   3.599   3.180 -15.805
 1759    H    LEU  84           H        LEU  84   6.291   2.829 -13.714
 1760    HA   LEU  84           HA       LEU  84   6.403   2.783 -11.352
 1761   1HB   LEU  84          1HB       LEU  84   4.993   5.309 -12.175
 1762   2HB   LEU  84          2HB       LEU  84   5.122   4.939 -10.456
 1763    HG   LEU  84           HG       LEU  84   7.506   4.906 -12.320
 1764   1HD1  LEU  84          1HD1      LEU  84   7.329   7.147 -10.452
 1765   2HD1  LEU  84          2HD1      LEU  84   6.027   7.165 -11.642
 1766   3HD1  LEU  84          3HD1      LEU  84   7.708   7.154 -12.175
 1767   1HD2  LEU  84          1HD2      LEU  84   7.272   3.818  -9.870
 1768   2HD2  LEU  84          2HD2      LEU  84   7.658   5.473  -9.399
 1769   3HD2  LEU  84          3HD2      LEU  84   8.768   4.567 -10.426
 1770    H    LYS  85           H        LYS  85   4.153   1.323 -12.665
 1771    HA   LYS  85           HA       LYS  85   1.933   1.697 -10.721
 1772   1HB   LYS  85          1HB       LYS  85   2.362   0.429 -13.410
 1773   2HB   LYS  85          2HB       LYS  85   1.002  -0.115 -12.427
 1774   1HG   LYS  85          1HG       LYS  85   1.365   2.824 -12.620
 1775   2HG   LYS  85          2HG       LYS  85   0.865   2.014 -14.105
 1776   1HD   LYS  85          1HD       LYS  85  -1.105   1.156 -13.104
 1777   2HD   LYS  85          2HD       LYS  85  -0.512   1.474 -11.473
 1778   1HE   LYS  85          1HE       LYS  85  -1.865   3.336 -11.681
 1779   2HE   LYS  85          2HE       LYS  85  -0.441   3.994 -12.509
 1780   1HZ   LYS  85          1HZ       LYS  85  -1.288   3.347 -14.595
 1781   2HZ   LYS  85          2HZ       LYS  85  -2.606   4.061 -13.797
 1782   3HZ   LYS  85          3HZ       LYS  85  -2.494   2.370 -13.905
 1783    H    ARG  86           H        ARG  86   3.570  -1.150 -12.180
 1784    HA   ARG  86           HA       ARG  86   2.937  -2.691  -9.719
 1785   1HB   ARG  86          1HB       ARG  86   2.924  -3.164 -12.483
 1786   2HB   ARG  86          2HB       ARG  86   4.316  -4.073 -11.893
 1787   1HG   ARG  86          1HG       ARG  86   3.021  -5.487 -10.613
 1788   2HG   ARG  86          2HG       ARG  86   1.793  -4.257 -10.310
 1789   1HD   ARG  86          1HD       ARG  86   0.804  -4.570 -12.463
 1790   2HD   ARG  86          2HD       ARG  86   2.204  -5.485 -13.053
 1791    HE   ARG  86           HE       ARG  86   1.346  -6.889 -10.804
 1792   1HH1  ARG  86          1HH1      ARG  86  -0.091  -5.837 -13.795
 1793   2HH1  ARG  86          2HH1      ARG  86  -1.198  -7.164 -13.857
 1794   1HH2  ARG  86          1HH2      ARG  86  -0.102  -8.602 -10.907
 1795   2HH2  ARG  86          2HH2      ARG  86  -1.206  -8.718 -12.236
 1796    H    MET  87           H        MET  87   4.645  -4.100  -8.805
 1797    HA   MET  87           HA       MET  87   7.454  -3.327  -9.373
 1798   1HB   MET  87          1HB       MET  87   5.791  -2.457  -7.104
 1799   2HB   MET  87          2HB       MET  87   7.312  -3.194  -6.603
 1800   1HG   MET  87          1HG       MET  87   8.319  -1.653  -8.504
 1801   2HG   MET  87          2HG       MET  87   6.850  -0.717  -8.228
 1802   1HE   MET  87          1HE       MET  87  10.151  -1.922  -7.178
 1803   2HE   MET  87          2HE       MET  87   9.388  -2.772  -5.834
 1804   3HE   MET  87          3HE       MET  87  10.439  -1.390  -5.521
 1805    H    ARG  88           H        ARG  88   8.926  -4.960  -8.698
 1806    HA   ARG  88           HA       ARG  88   7.716  -7.365  -7.378
 1807   1HB   ARG  88          1HB       ARG  88   9.550  -7.188  -9.797
 1808   2HB   ARG  88          2HB       ARG  88   9.081  -8.697  -9.015
 1809   1HG   ARG  88          1HG       ARG  88   6.813  -8.449  -9.638
 1810   2HG   ARG  88          2HG       ARG  88   7.010  -6.732  -9.991
 1811   1HD   ARG  88          1HD       ARG  88   8.768  -7.646 -11.773
 1812   2HD   ARG  88          2HD       ARG  88   7.771  -9.108 -11.654
 1813    HE   ARG  88           HE       ARG  88   6.184  -6.668 -11.876
 1814   1HH1  ARG  88          1HH1      ARG  88   7.928  -9.120 -13.627
 1815   2HH1  ARG  88          2HH1      ARG  88   7.009  -8.895 -15.074
 1816   1HH2  ARG  88          1HH2      ARG  88   5.005  -6.395 -13.766
 1817   2HH2  ARG  88          2HH2      ARG  88   5.366  -7.365 -15.155
 1818    H    ILE  89           H        ILE  89   9.570  -8.879  -6.623
 1819    HA   ILE  89           HA       ILE  89  11.981  -7.308  -5.798
 1820    HB   ILE  89           HB       ILE  89  10.130  -9.018  -4.093
 1821   1HG1  ILE  89          1HG1      ILE  89  10.898  -6.106  -3.775
 1822   2HG1  ILE  89          2HG1      ILE  89   9.469  -6.622  -4.670
 1823   1HG2  ILE  89          1HG2      ILE  89  11.708  -8.165  -2.240
 1824   2HG2  ILE  89          2HG2      ILE  89  12.841  -7.801  -3.541
 1825   3HG2  ILE  89          3HG2      ILE  89  12.313  -9.462  -3.270
 1826   1HD1  ILE  89          1HD1      ILE  89   9.538  -6.134  -1.958
 1827   2HD1  ILE  89          2HD1      ILE  89   9.728  -7.886  -2.025
 1828   3HD1  ILE  89          3HD1      ILE  89   8.325  -7.121  -2.773
 1829    H    PHE  90           H        PHE  90  13.696  -8.431  -6.630
 1830    HA   PHE  90           HA       PHE  90  13.491 -11.412  -6.831
 1831   1HB   PHE  90          1HB       PHE  90  14.878  -9.203  -8.327
 1832   2HB   PHE  90          2HB       PHE  90  15.575 -10.822  -8.376
 1833    HD1  PHE  90           HD1      PHE  90  14.218 -12.741  -9.240
 1834    HD2  PHE  90           HD2      PHE  90  12.854  -8.676  -9.493
 1835    HE1  PHE  90           HE1      PHE  90  12.537 -13.411 -10.937
 1836    HE2  PHE  90           HE2      PHE  90  11.174  -9.346 -11.189
 1837    HZ   PHE  90           HZ       PHE  90  11.015 -11.713 -11.912
 1838    H    THR  91           H        THR  91  15.719 -12.503  -6.563
 1839    HA   THR  91           HA       THR  91  17.114 -11.292  -4.202
 1840    HB   THR  91           HB       THR  91  17.728 -13.803  -3.896
 1841    HG1  THR  91           HG1      THR  91  16.753 -15.190  -5.163
 1842   1HG2  THR  91          1HG2      THR  91  15.792 -12.319  -2.824
 1843   2HG2  THR  91          2HG2      THR  91  15.880 -14.055  -2.524
 1844   3HG2  THR  91          3HG2      THR  91  14.765 -13.424  -3.737
 1845    H    ILE  92           H        ILE  92  18.608 -10.097  -5.588
 1846    HA   ILE  92           HA       ILE  92  20.117 -11.082  -7.738
 1847    HB   ILE  92           HB       ILE  92  21.766  -9.332  -6.971
 1848   1HG1  ILE  92          1HG1      ILE  92  19.974  -8.556  -4.739
 1849   2HG1  ILE  92          2HG1      ILE  92  20.965  -9.986  -4.458
 1850   1HG2  ILE  92          1HG2      ILE  92  20.063  -8.403  -8.267
 1851   2HG2  ILE  92          2HG2      ILE  92  19.891  -7.492  -6.767
 1852   3HG2  ILE  92          3HG2      ILE  92  18.807  -8.840  -7.108
 1853   1HD1  ILE  92          1HD1      ILE  92  21.759  -7.210  -4.473
 1854   2HD1  ILE  92          2HD1      ILE  92  22.659  -8.099  -5.701
 1855   3HD1  ILE  92          3HD1      ILE  92  22.706  -8.627  -4.019
 1856    H    LYS  93           H        LYS  93  20.395 -11.864  -4.342
 1857    HA   LYS  93           HA       LYS  93  22.743 -13.610  -4.996
 1858   1HB   LYS  93          1HB       LYS  93  22.241 -11.983  -2.474
 1859   2HB   LYS  93          2HB       LYS  93  23.660 -12.980  -2.793
 1860   1HG   LYS  93          1HG       LYS  93  22.853 -10.717  -4.627
 1861   2HG   LYS  93          2HG       LYS  93  23.903 -10.461  -3.234
 1862   1HD   LYS  93          1HD       LYS  93  25.008 -12.694  -4.455
 1863   2HD   LYS  93          2HD       LYS  93  24.509 -11.695  -5.821
 1864   1HE   LYS  93          1HE       LYS  93  26.170 -10.192  -5.423
 1865   2HE   LYS  93          2HE       LYS  93  25.777 -10.120  -3.695
 1866   1HZ   LYS  93          1HZ       LYS  93  27.994 -11.182  -4.352
 1867   2HZ   LYS  93          2HZ       LYS  93  27.068 -12.497  -4.900
 1868   3HZ   LYS  93          3HZ       LYS  93  27.012 -12.041  -3.265
 1869    HA   PRO  94           HA       PRO  94  20.352 -16.856  -3.226
 1870   1HB   PRO  94          1HB       PRO  94  22.804 -17.890  -1.945
 1871   2HB   PRO  94          2HB       PRO  94  21.779 -18.650  -3.172
 1872   1HG   PRO  94          1HG       PRO  94  24.238 -17.683  -3.713
 1873   2HG   PRO  94          2HG       PRO  94  22.930 -17.706  -4.903
 1874   1HD   PRO  94          1HD       PRO  94  24.033 -15.424  -3.346
 1875   2HD   PRO  94          2HD       PRO  94  23.357 -15.457  -4.988
 1876    H    ILE  95           H        ILE  95  19.332 -17.253  -1.229
 1877    HA   ILE  95           HA       ILE  95  20.500 -15.847   1.153
 1878    HB   ILE  95           HB       ILE  95  17.630 -16.064   0.169
 1879   1HG1  ILE  95          1HG1      ILE  95  19.481 -13.680   0.477
 1880   2HG1  ILE  95          2HG1      ILE  95  19.059 -14.447  -1.054
 1881   1HG2  ILE  95          1HG2      ILE  95  18.096 -14.165   2.307
 1882   2HG2  ILE  95          2HG2      ILE  95  18.570 -15.789   2.809
 1883   3HG2  ILE  95          3HG2      ILE  95  16.931 -15.487   2.232
 1884   1HD1  ILE  95          1HD1      ILE  95  17.330 -12.985  -1.127
 1885   2HD1  ILE  95          2HD1      ILE  95  17.514 -12.561   0.576
 1886   3HD1  ILE  95          3HD1      ILE  95  16.588 -13.991   0.117
 1887    H    ALA  96           H        ALA  96  20.409 -16.996   3.087
 1888    HA   ALA  96           HA       ALA  96  19.480 -19.822   2.909
 1889   1HB   ALA  96          1HB       ALA  96  20.923 -20.059   4.918
 1890   2HB   ALA  96          2HB       ALA  96  21.187 -18.315   4.928
 1891   3HB   ALA  96          3HB       ALA  96  21.806 -19.293   3.597
 1892    H    ILE  97           H        ILE  97  18.333 -20.692   4.866
 1893    HA   ILE  97           HA       ILE  97  16.038 -19.132   5.555
 1894    HB   ILE  97           HB       ILE  97  17.318 -21.574   6.839
 1895   1HG1  ILE  97          1HG1      ILE  97  14.905 -21.933   5.230
 1896   2HG1  ILE  97          2HG1      ILE  97  16.235 -21.249   4.294
 1897   1HG2  ILE  97          1HG2      ILE  97  15.708 -21.380   8.404
 1898   2HG2  ILE  97          2HG2      ILE  97  14.518 -21.630   7.126
 1899   3HG2  ILE  97          3HG2      ILE  97  15.001 -19.994   7.573
 1900   1HD1  ILE  97          1HD1      ILE  97  16.148 -23.797   4.381
 1901   2HD1  ILE  97          2HD1      ILE  97  16.570 -23.664   6.089
 1902   3HD1  ILE  97          3HD1      ILE  97  17.684 -23.072   4.857
 1903    H    GLY  98           H        GLY  98  15.951 -17.447   6.973
 1904   1HA   GLY  98          1HA       GLY  98  16.183 -16.623   9.264
 1905   2HA   GLY  98          2HA       GLY  98  17.671 -17.558   9.406
 1906    H    GLU  99           H        GLU  99  16.733 -15.457   6.700
 1907    HA   GLU  99           HA       GLU  99  19.121 -13.756   7.344
 1908   1HB   GLU  99          1HB       GLU  99  18.074 -15.097   4.928
 1909   2HB   GLU  99          2HB       GLU  99  18.571 -13.426   4.659
 1910   1HG   GLU  99          1HG       GLU  99  20.311 -15.450   6.089
 1911   2HG   GLU  99          2HG       GLU  99  20.403 -15.167   4.351
 1912    H    GLU 100           H        GLU 100  18.872 -11.479   6.350
 1913    HA   GLU 100           HA       GLU 100  16.055 -10.531   6.770
 1914   1HB   GLU 100          1HB       GLU 100  18.194  -9.938   8.262
 1915   2HB   GLU 100          2HB       GLU 100  18.467  -8.759   6.980
 1916   1HG   GLU 100          1HG       GLU 100  15.725  -8.578   7.560
 1917   2HG   GLU 100          2HG       GLU 100  16.513  -8.710   9.131
 1918    H    ILE 101           H        ILE 101  15.102  -9.670   4.969
 1919    HA   ILE 101           HA       ILE 101  16.803  -9.063   2.608
 1920    HB   ILE 101           HB       ILE 101  13.810  -9.381   3.032
 1921   1HG1  ILE 101          1HG1      ILE 101  15.788 -11.147   1.573
 1922   2HG1  ILE 101          2HG1      ILE 101  15.257 -11.430   3.230
 1923   1HG2  ILE 101          1HG2      ILE 101  14.092  -9.618   0.385
 1924   2HG2  ILE 101          2HG2      ILE 101  15.441  -8.523   0.686
 1925   3HG2  ILE 101          3HG2      ILE 101  13.805  -8.053   1.147
 1926   1HD1  ILE 101          1HD1      ILE 101  13.999 -12.421   0.990
 1927   2HD1  ILE 101          2HD1      ILE 101  13.050 -10.975   1.335
 1928   3HD1  ILE 101          3HD1      ILE 101  13.234 -12.223   2.566
 1929    H    THR 102           H        THR 102  17.257  -7.009   2.071
 1930    HA   THR 102           HA       THR 102  15.401  -4.788   2.649
 1931    HB   THR 102           HB       THR 102  17.267  -3.584   3.886
 1932    HG1  THR 102           HG1      THR 102  18.915  -4.992   3.056
 1933   1HG2  THR 102          1HG2      THR 102  16.809  -4.632   5.985
 1934   2HG2  THR 102          2HG2      THR 102  16.525  -6.196   5.221
 1935   3HG2  THR 102          3HG2      THR 102  15.369  -4.883   4.999
 1936    H    ILE 103           H        ILE 103  16.606  -2.655   1.812
 1937    HA   ILE 103           HA       ILE 103  18.554  -3.271  -0.348
 1938    HB   ILE 103           HB       ILE 103  17.085  -2.197  -2.019
 1939   1HG1  ILE 103          1HG1      ILE 103  14.582  -2.053  -0.975
 1940   2HG1  ILE 103          2HG1      ILE 103  15.536  -1.573   0.429
 1941   1HG2  ILE 103          1HG2      ILE 103  15.564  -3.995  -2.285
 1942   2HG2  ILE 103          2HG2      ILE 103  15.421  -4.240  -0.544
 1943   3HG2  ILE 103          3HG2      ILE 103  16.908  -4.690  -1.379
 1944   1HD1  ILE 103          1HD1      ILE 103  15.656   0.487  -0.486
 1945   2HD1  ILE 103          2HD1      ILE 103  14.964  -0.084  -2.004
 1946   3HD1  ILE 103          3HD1      ILE 103  16.701  -0.209  -1.725
 1947    H    SER 104           H        SER 104  19.632  -1.342  -1.145
 1948    HA   SER 104           HA       SER 104  20.100   0.672   0.862
 1949   1HB   SER 104          1HB       SER 104  21.722  -0.169  -0.844
 1950   2HB   SER 104          2HB       SER 104  20.759   0.596  -2.107
 1951    HG   SER 104           HG       SER 104  22.613   1.813  -1.218
 1952    H    TYR 105           H        TYR 105  20.244   2.940  -1.052
 1953    HA   TYR 105           HA       TYR 105  17.333   3.502  -1.473
 1954   1HB   TYR 105          1HB       TYR 105  19.406   5.299  -0.157
 1955   2HB   TYR 105          2HB       TYR 105  17.706   5.696  -0.400
 1956    HD1  TYR 105           HD1      TYR 105  15.936   4.434   0.818
 1957    HD2  TYR 105           HD2      TYR 105  20.112   3.818   1.601
 1958    HE1  TYR 105           HE1      TYR 105  15.368   3.292   2.945
 1959    HE2  TYR 105           HE2      TYR 105  19.546   2.676   3.729
 1960    HH   TYR 105           HH       TYR 105  16.363   1.690   4.491
 1961    H    GLY 106           H        GLY 106  20.381   5.362  -1.831
 1962   1HA   GLY 106          1HA       GLY 106  20.985   5.228  -4.462
 1963   2HA   GLY 106          2HA       GLY 106  19.511   6.193  -4.523
 1964    H    ASP 107           H        ASP 107  21.450   7.611  -5.474
 1965    HA   ASP 107           HA       ASP 107  23.286   8.876  -3.679
 1966   1HB   ASP 107          1HB       ASP 107  23.371  10.560  -5.539
 1967   2HB   ASP 107          2HB       ASP 107  23.472   8.900  -6.128
 1968    H    ASP 108           H        ASP 108  19.975   9.741  -4.690
 1969    HA   ASP 108           HA       ASP 108  19.817  12.287  -3.425
 1970   1HB   ASP 108          1HB       ASP 108  18.081  10.236  -4.594
 1971   2HB   ASP 108          2HB       ASP 108  17.289  11.099  -3.276
 1972    H    TYR 109           H        TYR 109  18.470   9.192  -2.199
 1973    HA   TYR 109           HA       TYR 109  18.078  10.206   0.477
 1974   1HB   TYR 109          1HB       TYR 109  17.770   7.729  -1.084
 1975   2HB   TYR 109          2HB       TYR 109  18.169   7.434   0.608
 1976    HD1  TYR 109           HD1      TYR 109  15.468   7.445  -1.381
 1977    HD2  TYR 109           HD2      TYR 109  16.898   9.565   2.070
 1978    HE1  TYR 109           HE1      TYR 109  13.133   7.973  -0.738
 1979    HE2  TYR 109           HE2      TYR 109  14.563  10.094   2.714
 1980    HH   TYR 109           HH       TYR 109  11.852   9.311   0.599
 1981    H    TRP 110           H        TRP 110  19.898  10.848   1.603
 1982    HA   TRP 110           HA       TRP 110  22.546  10.004   1.351
 1983   1HB   TRP 110          1HB       TRP 110  22.774  10.906   3.623
 1984   2HB   TRP 110          2HB       TRP 110  21.636  11.892   2.705
 1985    HD1  TRP 110           HD1      TRP 110  19.117  11.887   3.448
 1986    HE1  TRP 110           HE1      TRP 110  17.900  10.941   5.521
 1987    HE3  TRP 110           HE3      TRP 110  22.799   8.925   5.330
 1988    HZ2  TRP 110           HZ2      TRP 110  18.438   9.147   7.698
 1989    HZ3  TRP 110           HZ3      TRP 110  22.439   7.610   7.382
 1990    HH2  TRP 110           HH2      TRP 110  20.265   7.712   8.580
 1991    H    LEU 111           H        LEU 111  23.594   8.107   1.755
 1992    HA   LEU 111           HA       LEU 111  22.083   5.884   2.978
 1993   1HB   LEU 111          1HB       LEU 111  23.367   5.746   0.824
 1994   2HB   LEU 111          2HB       LEU 111  24.854   6.004   1.734
 1995    HG   LEU 111           HG       LEU 111  24.103   3.981   3.160
 1996   1HD1  LEU 111          1HD1      LEU 111  22.684   2.390   1.721
 1997   2HD1  LEU 111          2HD1      LEU 111  22.240   3.818   0.786
 1998   3HD1  LEU 111          3HD1      LEU 111  21.833   3.725   2.499
 1999   1HD2  LEU 111          1HD2      LEU 111  24.614   2.620   0.734
 2000   2HD2  LEU 111          2HD2      LEU 111  25.790   3.092   1.962
 2001   3HD2  LEU 111          3HD2      LEU 111  25.445   4.171   0.610
 2002    H    SER 112           H        SER 112  25.456   5.511   3.499
 2003    HA   SER 112           HA       SER 112  25.704   6.862   6.034
 2004   1HB   SER 112          1HB       SER 112  25.110   5.127   7.519
 2005   2HB   SER 112          2HB       SER 112  23.883   4.984   6.261
 2006    HG   SER 112           HG       SER 112  24.735   2.967   6.618
 2007    H    ARG 113           H        ARG 113  27.890   7.189   5.880
 2008    HA   ARG 113           HA       ARG 113  30.188   6.739   5.536
 2009   1HB   ARG 113          1HB       ARG 113  28.886   4.526   7.038
 2010   2HB   ARG 113          2HB       ARG 113  30.507   4.186   6.430
 2011   1HG   ARG 113          1HG       ARG 113  31.046   5.173   8.455
 2012   2HG   ARG 113          2HG       ARG 113  31.001   6.605   7.426
 2013   1HD   ARG 113          1HD       ARG 113  28.362   6.397   8.142
 2014   2HD   ARG 113          2HD       ARG 113  29.170   5.805   9.606
 2015    HE   ARG 113           HE       ARG 113  29.253   8.530   8.619
 2016   1HH1  ARG 113          1HH1      ARG 113  31.125   6.051  10.190
 2017   2HH1  ARG 113          2HH1      ARG 113  32.155   7.185  10.993
 2018   1HH2  ARG 113          1HH2      ARG 113  30.602   9.981   9.672
 2019   2HH2  ARG 113          2HH2      ARG 113  31.863   9.394  10.704
 2020    HA   PRO 114           HA       PRO 114  29.123   4.289   1.647
 2021   1HB   PRO 114          1HB       PRO 114  30.453   6.597   0.348
 2022   2HB   PRO 114          2HB       PRO 114  28.902   5.836  -0.042
 2023   1HG   PRO 114          1HG       PRO 114  29.092   8.259   1.124
 2024   2HG   PRO 114          2HG       PRO 114  27.743   7.154   1.417
 2025   1HD   PRO 114          1HD       PRO 114  30.058   7.819   3.161
 2026   2HD   PRO 114          2HD       PRO 114  28.389   7.399   3.600
 2027    H    ARG 115           H        ARG 115  30.667   2.728   1.464
 2028    HA   ARG 115           HA       ARG 115  33.351   3.318   0.577
 2029   1HB   ARG 115          1HB       ARG 115  34.476   2.663   2.705
 2030   2HB   ARG 115          2HB       ARG 115  33.492   4.112   2.904
 2031   1HG   ARG 115          1HG       ARG 115  31.614   2.372   3.549
 2032   2HG   ARG 115          2HG       ARG 115  32.991   1.328   3.899
 2033   1HD   ARG 115          1HD       ARG 115  33.864   3.509   5.173
 2034   2HD   ARG 115          2HD       ARG 115  32.125   3.847   5.264
 2035    HE   ARG 115           HE       ARG 115  33.518   1.695   6.650
 2036   1HH1  ARG 115          1HH1      ARG 115  30.523   2.652   5.156
 2037   2HH1  ARG 115          2HH1      ARG 115  29.574   1.557   6.101
 2038   1HH2  ARG 115          1HH2      ARG 115  32.266   0.282   7.864
 2039   2HH2  ARG 115          2HH2      ARG 115  30.552   0.225   7.623
 2040    H    LEU 116           H        LEU 116  31.199   1.015   2.225
 2041    HA   LEU 116           HA       LEU 116  30.995  -1.327   1.996
 2042   1HB   LEU 116          1HB       LEU 116  31.462  -0.039  -0.574
 2043   2HB   LEU 116          2HB       LEU 116  32.059  -1.698  -0.587
 2044    HG   LEU 116           HG       LEU 116  29.694  -1.625  -1.271
 2045   1HD1  LEU 116          1HD1      LEU 116  30.704  -3.056   1.074
 2046   2HD1  LEU 116          2HD1      LEU 116  29.763  -3.661  -0.289
 2047   3HD1  LEU 116          3HD1      LEU 116  28.948  -2.903   1.079
 2048   1HD2  LEU 116          1HD2      LEU 116  28.597   0.143  -0.309
 2049   2HD2  LEU 116          2HD2      LEU 116  29.515   0.030   1.192
 2050   3HD2  LEU 116          3HD2      LEU 116  28.173  -1.075   0.894
 2051    H    THR 117           H        THR 117  32.600  -3.180   0.633
 2052    HA   THR 117           HA       THR 117  35.354  -2.735   1.717
 2053    HB   THR 117           HB       THR 117  33.564  -5.163   2.115
 2054    HG1  THR 117           HG1      THR 117  34.519  -3.209   3.935
 2055   1HG2  THR 117          1HG2      THR 117  35.350  -6.102   3.398
 2056   2HG2  THR 117          2HG2      THR 117  36.257  -4.589   3.370
 2057   3HG2  THR 117          3HG2      THR 117  36.082  -5.540   1.895
 2058    H    GLN 118           H        GLN 118  33.456  -5.289   0.052
 2059    HA   GLN 118           HA       GLN 118  35.510  -5.260  -2.127
 2060   1HB   GLN 118          1HB       GLN 118  34.580  -7.444  -0.298
 2061   2HB   GLN 118          2HB       GLN 118  34.962  -7.880  -1.963
 2062   1HG   GLN 118          1HG       GLN 118  37.126  -6.398  -1.465
 2063   2HG   GLN 118          2HG       GLN 118  36.763  -6.866   0.197
 2064   1HE2  GLN 118          1HE2      GLN 118  36.351  -9.350   0.465
 2065   2HE2  GLN 118          2HE2      GLN 118  37.341 -10.384  -0.449
 2066    H    ASN 119           H        ASN 119  34.681  -6.065  -4.177
 2067    HA   ASN 119           HA       ASN 119  31.690  -5.942  -4.355
 2068   1HB   ASN 119          1HB       ASN 119  33.628  -4.371  -5.508
 2069   2HB   ASN 119          2HB       ASN 119  33.362  -5.571  -6.772
 2070   1HD2  ASN 119          1HD2      ASN 119  30.619  -6.080  -6.539
 2071   2HD2  ASN 119          2HD2      ASN 119  29.741  -4.659  -6.839
 2072   1H    GLY 201          1H        GLY 201  17.234  29.599  14.530
 2073   2H    GLY 201          2H        GLY 201  16.977  30.324  13.016
 2074   3H    GLY 201          3H        GLY 201  17.646  28.766  13.109
 2075   1HA   GLY 201          1HA       GLY 201  15.653  27.782  13.722
 2076   2HA   GLY 201          2HA       GLY 201  14.967  29.332  14.210
 2077    H    LYS 202           H        LYS 202  13.320  29.759  12.803
 2078    HA   LYS 202           HA       LYS 202  12.167  30.044  10.760
 2079   1HB   LYS 202          1HB       LYS 202  15.078  30.589  10.105
 2080   2HB   LYS 202          2HB       LYS 202  13.783  30.876   8.942
 2081   1HG   LYS 202          1HG       LYS 202  13.311  31.989  11.643
 2082   2HG   LYS 202          2HG       LYS 202  14.637  32.733  10.749
 2083   1HD   LYS 202          1HD       LYS 202  13.242  33.614   9.155
 2084   2HD   LYS 202          2HD       LYS 202  12.130  32.247   9.225
 2085   1HE   LYS 202          1HE       LYS 202  11.842  33.358  11.740
 2086   2HE   LYS 202          2HE       LYS 202  12.053  34.786  10.709
 2087   1HZ   LYS 202          1HZ       LYS 202  10.186  32.523  10.197
 2088   2HZ   LYS 202          2HZ       LYS 202  10.401  33.871   9.185
 2089   3HZ   LYS 202          3HZ       LYS 202   9.735  34.070  10.735
 2090    H    ALA 203           H        ALA 203  11.493  27.821  10.499
 2091    HA   ALA 203           HA       ALA 203  13.034  25.676   9.510
 2092   1HB   ALA 203          1HB       ALA 203  10.436  25.441   8.444
 2093   2HB   ALA 203          2HB       ALA 203  10.249  26.432   9.891
 2094   3HB   ALA 203          3HB       ALA 203  10.987  24.834  10.005
 2095    HA   PRO 204           HA       PRO 204  11.772  26.840   5.051
 2096   1HB   PRO 204          1HB       PRO 204  10.585  29.308   4.665
 2097   2HB   PRO 204          2HB       PRO 204   9.678  27.802   4.889
 2098   1HG   PRO 204          1HG       PRO 204  10.253  29.980   6.823
 2099   2HG   PRO 204          2HG       PRO 204   8.812  28.968   6.657
 2100   1HD   PRO 204          1HD       PRO 204  10.720  28.612   8.582
 2101   2HD   PRO 204          2HD       PRO 204   9.677  27.312   7.972
 2102    H    ARG 205           H        ARG 205  13.993  27.144   4.701
 2103    HA   ARG 205           HA       ARG 205  15.047  29.935   5.023
 2104   1HB   ARG 205          1HB       ARG 205  15.925  27.747   6.260
 2105   2HB   ARG 205          2HB       ARG 205  16.763  27.484   4.731
 2106   1HG   ARG 205          1HG       ARG 205  18.217  29.194   5.099
 2107   2HG   ARG 205          2HG       ARG 205  16.959  30.241   5.758
 2108   1HD   ARG 205          1HD       ARG 205  17.508  29.686   7.894
 2109   2HD   ARG 205          2HD       ARG 205  17.542  27.956   7.505
 2110    HE   ARG 205           HE       ARG 205  19.841  29.746   7.510
 2111   1HH1  ARG 205          1HH1      ARG 205  18.422  26.933   6.028
 2112   2HH1  ARG 205          2HH1      ARG 205  19.949  26.281   5.545
 2113   1HH2  ARG 205          1HH2      ARG 205  21.812  28.878   6.872
 2114   2HH2  ARG 205          2HH2      ARG 205  21.855  27.372   6.019
 2115    H    LYS 206           H        LYS 206  14.854  27.119   2.872
 2116    HA   LYS 206           HA       LYS 206  16.112  28.738   0.691
 2117   1HB   LYS 206          1HB       LYS 206  15.897  25.839   1.425
 2118   2HB   LYS 206          2HB       LYS 206  16.043  26.244  -0.286
 2119   1HG   LYS 206          1HG       LYS 206  18.011  27.775   0.510
 2120   2HG   LYS 206          2HG       LYS 206  17.988  26.759   1.952
 2121   1HD   LYS 206          1HD       LYS 206  19.546  25.731   0.456
 2122   2HD   LYS 206          2HD       LYS 206  18.080  24.753   0.369
 2123   1HE   LYS 206          1HE       LYS 206  18.275  25.058  -1.894
 2124   2HE   LYS 206          2HE       LYS 206  17.623  26.676  -1.571
 2125   1HZ   LYS 206          1HZ       LYS 206  20.466  25.843  -1.736
 2126   2HZ   LYS 206          2HZ       LYS 206  19.996  27.304  -1.009
 2127   3HZ   LYS 206          3HZ       LYS 206  19.672  27.030  -2.653
 2128    H    GLN 207           H        GLN 207  14.872  29.276  -1.089
 2129    HA   GLN 207           HA       GLN 207  12.002  28.976  -1.006
 2130   1HB   GLN 207          1HB       GLN 207  13.516  30.774  -2.092
 2131   2HB   GLN 207          2HB       GLN 207  13.711  29.630  -3.420
 2132   1HG   GLN 207          1HG       GLN 207  11.559  29.907  -4.149
 2133   2HG   GLN 207          2HG       GLN 207  10.923  30.094  -2.515
 2134   1HE2  GLN 207          1HE2      GLN 207  10.680  32.232  -1.701
 2135   2HE2  GLN 207          2HE2      GLN 207  11.100  33.621  -2.581
 2136    H    LEU 208           H        LEU 208  11.901  26.559  -0.823
 2137    HA   LEU 208           HA       LEU 208  11.584  24.416  -1.766
 2138   1HB   LEU 208          1HB       LEU 208  10.602  26.502  -3.496
 2139   2HB   LEU 208          2HB       LEU 208  11.217  25.182  -4.491
 2140    HG   LEU 208           HG       LEU 208   9.576  24.403  -2.137
 2141   1HD1  LEU 208          1HD1      LEU 208   7.506  24.763  -3.653
 2142   2HD1  LEU 208          2HD1      LEU 208   8.513  25.924  -4.517
 2143   3HD1  LEU 208          3HD1      LEU 208   8.153  26.169  -2.808
 2144   1HD2  LEU 208          1HD2      LEU 208   8.683  23.189  -4.495
 2145   2HD2  LEU 208          2HD2      LEU 208   9.802  22.495  -3.322
 2146   3HD2  LEU 208          3HD2      LEU 208  10.422  23.368  -4.724
 2147    H    ALA 209           H        ALA 209  12.351  23.080  -3.876
 2148    HA   ALA 209           HA       ALA 209  14.955  23.921  -4.941
 2149   1HB   ALA 209          1HB       ALA 209  16.267  22.344  -3.724
 2150   2HB   ALA 209          2HB       ALA 209  14.840  21.468  -3.169
 2151   3HB   ALA 209          3HB       ALA 209  15.209  23.061  -2.508
 2152    H    THR 210           H        THR 210  15.919  21.980  -6.231
 2153    HA   THR 210           HA       THR 210  13.680  20.333  -7.366
 2154    HB   THR 210           HB       THR 210  14.320  22.203  -8.827
 2155    HG1  THR 210           HG1      THR 210  13.985  20.013  -9.680
 2156   1HG2  THR 210          1HG2      THR 210  16.896  21.676  -9.680
 2157   2HG2  THR 210          2HG2      THR 210  16.998  21.382  -7.944
 2158   3HG2  THR 210          3HG2      THR 210  16.444  22.946  -8.543
 2159    H    LYS 211           H        LYS 211  15.045  19.104  -5.398
 2160    HA   LYS 211           HA       LYS 211  17.180  17.491  -6.753
 2161   1HB   LYS 211          1HB       LYS 211  17.678  18.912  -4.685
 2162   2HB   LYS 211          2HB       LYS 211  16.623  17.821  -3.787
 2163   1HG   LYS 211          1HG       LYS 211  18.245  16.259  -3.657
 2164   2HG   LYS 211          2HG       LYS 211  18.514  16.324  -5.399
 2165   1HD   LYS 211          1HD       LYS 211  20.070  18.114  -5.196
 2166   2HD   LYS 211          2HD       LYS 211  19.582  18.450  -3.535
 2167   1HE   LYS 211          1HE       LYS 211  21.522  17.224  -3.133
 2168   2HE   LYS 211          2HE       LYS 211  20.352  15.893  -3.210
 2169   1HZ   LYS 211          1HZ       LYS 211  21.996  15.317  -4.760
 2170   2HZ   LYS 211          2HZ       LYS 211  22.141  16.904  -5.346
 2171   3HZ   LYS 211          3HZ       LYS 211  20.759  15.988  -5.711
 2172    H    ALA 212           H        ALA 212  14.204  17.354  -4.837
 2173    HA   ALA 212           HA       ALA 212  12.753  15.549  -4.372
 2174   1HB   ALA 212          1HB       ALA 212  13.987  14.214  -6.776
 2175   2HB   ALA 212          2HB       ALA 212  13.100  15.724  -6.982
 2176   3HB   ALA 212          3HB       ALA 212  12.287  14.308  -6.316
 2177    H    ALA 213           H        ALA 213  14.279  15.068  -2.490
 2178    HA   ALA 213           HA       ALA 213  16.263  12.960  -2.775
 2179   1HB   ALA 213          1HB       ALA 213  16.731  14.232  -0.922
 2180   2HB   ALA 213          2HB       ALA 213  15.633  13.116  -0.110
 2181   3HB   ALA 213          3HB       ALA 213  15.040  14.674  -0.686
 2182    H    ARG 214           H        ARG 214  14.570  11.513  -3.956
 2183    HA   ARG 214           HA       ARG 214  12.969   9.974  -1.937
 2184   1HB   ARG 214          1HB       ARG 214  12.627  10.504  -4.908
 2185   2HB   ARG 214          2HB       ARG 214  11.639   9.345  -4.018
 2186   1HG   ARG 214          1HG       ARG 214  11.918  12.265  -3.250
 2187   2HG   ARG 214          2HG       ARG 214  10.593  11.628  -4.224
 2188   1HD   ARG 214          1HD       ARG 214   9.548  11.254  -2.228
 2189   2HD   ARG 214          2HD       ARG 214  10.671   9.893  -2.047
 2190    HE   ARG 214           HE       ARG 214  11.850  11.181  -0.455
 2191   1HH1  ARG 214          1HH1      ARG 214   9.916  13.232  -2.498
 2192   2HH1  ARG 214          2HH1      ARG 214  10.309  14.666  -1.615
 2193   1HH2  ARG 214          1HH2      ARG 214  12.345  13.056   0.674
 2194   2HH2  ARG 214          2HH2      ARG 214  11.673  14.570   0.168
 2195   1HN   MLZ 215          1HN       MLZ 215  12.633   7.602  -2.862
 2196    HA   MLZ 215           HA       MLZ 215  15.230   6.346  -2.975
 2197   1HB   MLZ 215          1HB       MLZ 215  12.350   5.625  -3.000
 2198   2HB   MLZ 215          2HB       MLZ 215  13.423   4.438  -3.742
 2199   1HG   MLZ 215          1HG       MLZ 215  14.451   5.521  -1.211
 2200   2HG   MLZ 215          2HG       MLZ 215  14.325   3.845  -1.746
 2201   1HD   MLZ 215          1HD       MLZ 215  12.054   5.540  -0.659
 2202   2HD   MLZ 215          2HD       MLZ 215  11.900   3.878  -1.231
 2203   1HE   MLZ 215          1HE       MLZ 215  13.992   4.431   0.839
 2204   2HE   MLZ 215          2HE       MLZ 215  12.961   3.002   0.630
 2205    HZ   MLZ 215           HZ       MLZ 215  11.063   4.274   1.349
 2206   1HCM  MLZ 215          1HCM      MLZ 215  12.611   3.247   3.010
 2207   2HCM  MLZ 215          2HCM      MLZ 215  11.580   4.539   3.623
 2208   3HCM  MLZ 215          3HCM      MLZ 215  13.269   4.866   3.239
 2209    H    SER 216           H        SER 216  16.502   6.274  -4.777
 2210    HA   SER 216           HA       SER 216  17.136   6.071  -7.043
 2211   1HB   SER 216          1HB       SER 216  14.633   7.338  -7.972
 2212   2HB   SER 216          2HB       SER 216  15.436   8.211  -6.666
 2213    HG   SER 216           HG       SER 216  17.268   8.354  -7.887
 2214    H    ALA 217           H        ALA 217  15.641   5.694  -9.355
 2215    HA   ALA 217           HA       ALA 217  14.179   3.136  -8.779
 2216   1HB   ALA 217          1HB       ALA 217  13.429   5.593 -10.131
 2217   2HB   ALA 217          2HB       ALA 217  12.420   4.202  -9.737
 2218   3HB   ALA 217          3HB       ALA 217  13.330   4.231 -11.247
 2219    HA   PRO 218           HA       PRO 218  16.823   1.122 -11.644
 2220   1HB   PRO 218          1HB       PRO 218  15.059  -0.269 -13.272
 2221   2HB   PRO 218          2HB       PRO 218  15.527  -0.787 -11.642
 2222   1HG   PRO 218          1HG       PRO 218  13.060   0.587 -12.564
 2223   2HG   PRO 218          2HG       PRO 218  13.268  -0.631 -11.300
 2224   1HD   PRO 218          1HD       PRO 218  12.925   2.025 -10.798
 2225   2HD   PRO 218          2HD       PRO 218  13.808   0.928  -9.717
 2226    H    ALA 219           H        ALA 219  14.042   2.761 -13.134
 2227    HA   ALA 219           HA       ALA 219  13.876   3.978 -15.153
 2228   1HB   ALA 219          1HB       ALA 219  16.647   4.304 -14.065
 2229   2HB   ALA 219          2HB       ALA 219  15.396   5.522 -14.314
 2230   3HB   ALA 219          3HB       ALA 219  16.334   4.928 -15.685
 2231    H    THR 220           H        THR 220  13.420   2.003 -16.408
 2232    HA   THR 220           HA       THR 220  15.233   1.621 -18.623
 2233    HB   THR 220           HB       THR 220  16.469   0.442 -16.828
 2234    HG1  THR 220           HG1      THR 220  16.704  -0.507 -18.787
 2235   1HG2  THR 220          1HG2      THR 220  14.514  -0.092 -15.412
 2236   2HG2  THR 220          2HG2      THR 220  15.461  -1.540 -15.757
 2237   3HG2  THR 220          3HG2      THR 220  13.954  -1.245 -16.624
 2238    H    GLY 221           H        GLY 221  14.470  -0.526 -19.852
 2239   1HA   GLY 221          1HA       GLY 221  11.926  -1.665 -19.402
 2240   2HA   GLY 221          2HA       GLY 221  11.671  -0.225 -20.389
 2241   1HN   SAH 301          1HN       SAH 301 -11.454  -0.463  -8.438
 2242   2HN   SAH 301          2HN       SAH 301 -10.207   0.116  -9.440
 2243    HA   SAH 301           HA       SAH 301 -10.496   2.324  -8.165
 2244   1HB   SAH 301          1HB       SAH 301 -11.936   0.217  -6.529
 2245   2HB   SAH 301          2HB       SAH 301 -11.333   1.707  -5.808
 2246   1HG   SAH 301          1HG       SAH 301 -13.783   1.336  -7.172
 2247   2HG   SAH 301          2HG       SAH 301 -12.770   2.300  -8.245
 2248   1H5*  SAH 301          1H5*      SAH 301 -15.368   2.460  -6.594
 2249   2H5*  SAH 301          2H5*      SAH 301 -15.449   3.690  -5.333
 2250    H4*  SAH 301           H4*      SAH 301 -14.746   5.235  -7.332
 2251    H3*  SAH 301           H3*      SAH 301 -17.178   4.494  -5.975
 2252   *HO3  SAH 301          *HO3      SAH 301 -17.605   6.755  -6.996
 2253    H2*  SAH 301           H2*      SAH 301 -18.559   3.974  -7.657
 2254   *HO2  SAH 301          *HO2      SAH 301 -17.921   5.956  -9.437
 2255    H1*  SAH 301           H1*      SAH 301 -16.940   4.442  -9.993
 2256    H8   SAH 301           H8       SAH 301 -16.046   1.231  -8.425
 2257   1HN6  SAH 301          1HN6      SAH 301 -20.657  -1.487 -10.320
 2258   2HN6  SAH 301          2HN6      SAH 301 -20.912  -1.139  -8.625
 2259    H2   SAH 301           H2       SAH 301 -21.582   3.189 -10.963
 2260   1HN   SAH 302          1HN       SAH 302  11.535  -0.418   8.451
 2261   2HN   SAH 302          2HN       SAH 302  10.296   0.152   9.463
 2262    HA   SAH 302           HA       SAH 302  10.557   2.360   8.182
 2263   1HB   SAH 302          1HB       SAH 302  12.000   0.258   6.540
 2264   2HB   SAH 302          2HB       SAH 302  11.384   1.745   5.821
 2265   1HG   SAH 302          1HG       SAH 302  13.846   1.388   7.165
 2266   2HG   SAH 302          2HG       SAH 302  12.838   2.348   8.247
 2267   1H5*  SAH 302          1H5*      SAH 302  15.420   2.518   6.571
 2268   2H5*  SAH 302          2H5*      SAH 302  15.483   3.747   5.309
 2269    H4*  SAH 302           H4*      SAH 302  14.791   5.290   7.312
 2270    H3*  SAH 302           H3*      SAH 302  17.215   4.559   5.935
 2271   *HO3  SAH 302          *HO3      SAH 302  17.641   6.823   6.948
 2272    H2*  SAH 302           H2*      SAH 302  18.612   4.048   7.606
 2273   *HO2  SAH 302          *HO2      SAH 302  17.981   6.029   9.389
 2274    H1*  SAH 302           H1*      SAH 302  17.011   4.510   9.955
 2275    H8   SAH 302           H8       SAH 302  16.118   1.293   8.398
 2276   1HN6  SAH 302          1HN6      SAH 302  20.758  -1.400  10.258
 2277   2HN6  SAH 302          2HN6      SAH 302  20.997  -1.053   8.561
 2278    H2   SAH 302           H2       SAH 302  21.667   3.281  10.888
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  -0.286 -13.415  -5.563
    2   2H    MET   1          2H        MET   1   0.264 -12.199  -6.611
    3   3H    MET   1          3H        MET   1  -0.632 -13.505  -7.223
    4    HA   MET   1           HA       MET   1  -1.588 -11.248  -5.557
    5   1HB   MET   1          1HB       MET   1  -2.442 -12.498  -8.194
    6   2HB   MET   1          2HB       MET   1  -3.079 -11.009  -7.501
    7   1HG   MET   1          1HG       MET   1  -0.205 -11.479  -8.351
    8   2HG   MET   1          2HG       MET   1  -1.390 -10.507  -9.220
    9   1HE   MET   1          1HE       MET   1  -1.812  -7.329  -7.448
   10   2HE   MET   1          2HE       MET   1  -2.931  -8.679  -7.263
   11   3HE   MET   1          3HE       MET   1  -2.132  -8.402  -8.811
   12    H    PHE   2           H        PHE   2  -1.764 -14.649  -5.819
   13    HA   PHE   2           HA       PHE   2  -4.392 -14.613  -4.396
   14   1HB   PHE   2          1HB       PHE   2  -4.979 -16.652  -5.715
   15   2HB   PHE   2          2HB       PHE   2  -4.713 -15.253  -6.753
   16    HD1  PHE   2           HD1      PHE   2  -3.648 -18.605  -5.928
   17    HD2  PHE   2           HD2      PHE   2  -2.453 -14.972  -7.883
   18    HE1  PHE   2           HE1      PHE   2  -1.884 -19.845  -7.154
   19    HE2  PHE   2           HE2      PHE   2  -0.689 -16.211  -9.108
   20    HZ   PHE   2           HZ       PHE   2  -0.404 -18.647  -8.744
   21    H    ASN   3           H        ASN   3  -3.787 -15.231  -2.352
   22    HA   ASN   3           HA       ASN   3  -2.451 -17.849  -2.035
   23   1HB   ASN   3          1HB       ASN   3  -0.650 -16.848  -0.649
   24   2HB   ASN   3          2HB       ASN   3  -0.625 -16.198  -2.287
   25   1HD2  ASN   3          1HD2      ASN   3  -1.154 -13.951  -2.579
   26   2HD2  ASN   3          2HD2      ASN   3  -1.411 -12.897  -1.274
   27    H    ASP   4           H        ASP   4  -1.987 -17.960   0.576
   28    HA   ASP   4           HA       ASP   4  -3.019 -18.194   2.676
   29   1HB   ASP   4          1HB       ASP   4  -3.784 -15.471   1.642
   30   2HB   ASP   4          2HB       ASP   4  -4.389 -16.019   3.204
   31    H    ARG   5           H        ARG   5  -5.733 -16.337   1.368
   32    HA   ARG   5           HA       ARG   5  -7.367 -18.793   1.031
   33   1HB   ARG   5          1HB       ARG   5  -7.615 -16.722   3.222
   34   2HB   ARG   5          2HB       ARG   5  -9.001 -17.693   2.731
   35   1HG   ARG   5          1HG       ARG   5  -7.156 -19.651   2.995
   36   2HG   ARG   5          2HG       ARG   5  -6.533 -18.503   4.179
   37   1HD   ARG   5          1HD       ARG   5  -9.424 -18.734   4.405
   38   2HD   ARG   5          2HD       ARG   5  -8.640 -20.315   4.584
   39    HE   ARG   5           HE       ARG   5  -8.355 -18.047   6.403
   40   1HH1  ARG   5          1HH1      ARG   5  -6.824 -20.885   5.092
   41   2HH1  ARG   5          2HH1      ARG   5  -5.781 -21.087   6.457
   42   1HH2  ARG   5          1HH2      ARG   5  -6.990 -18.329   8.162
   43   2HH2  ARG   5          2HH2      ARG   5  -5.872 -19.652   8.183
   44    H    VAL   6           H        VAL   6  -6.502 -16.076  -0.378
   45    HA   VAL   6           HA       VAL   6  -9.165 -15.640  -1.603
   46    HB   VAL   6           HB       VAL   6  -7.529 -13.517  -0.165
   47   1HG1  VAL   6          1HG1      VAL   6  -9.747 -12.206  -0.766
   48   2HG1  VAL   6          2HG1      VAL   6  -9.829 -13.375  -2.084
   49   3HG1  VAL   6          3HG1      VAL   6  -8.431 -12.310  -1.936
   50   1HG2  VAL   6          1HG2      VAL   6  -8.779 -14.762   1.441
   51   2HG2  VAL   6          2HG2      VAL   6 -10.186 -14.855   0.381
   52   3HG2  VAL   6          3HG2      VAL   6  -9.740 -13.317   1.120
   53    H    ILE   7           H        ILE   7  -9.006 -14.319  -3.577
   54    HA   ILE   7           HA       ILE   7  -6.235 -14.236  -4.717
   55    HB   ILE   7           HB       ILE   7  -7.580 -16.075  -5.623
   56   1HG1  ILE   7          1HG1      ILE   7  -7.887 -14.176  -7.864
   57   2HG1  ILE   7          2HG1      ILE   7  -6.290 -14.173  -7.116
   58   1HG2  ILE   7          1HG2      ILE   7  -9.624 -14.767  -7.046
   59   2HG2  ILE   7          2HG2      ILE   7  -9.666 -14.070  -5.426
   60   3HG2  ILE   7          3HG2      ILE   7  -9.820 -15.813  -5.640
   61   1HD1  ILE   7          1HD1      ILE   7  -7.483 -16.158  -8.858
   62   2HD1  ILE   7          2HD1      ILE   7  -7.019 -16.887  -7.320
   63   3HD1  ILE   7          3HD1      ILE   7  -5.817 -16.038  -8.291
   64    H    VAL   8           H        VAL   8  -5.855 -12.490  -6.236
   65    HA   VAL   8           HA       VAL   8  -7.645 -10.151  -5.765
   66    HB   VAL   8           HB       VAL   8  -4.792 -10.473  -6.763
   67   1HG1  VAL   8          1HG1      VAL   8  -5.537  -8.484  -7.794
   68   2HG1  VAL   8          2HG1      VAL   8  -4.805  -7.918  -6.291
   69   3HG1  VAL   8          3HG1      VAL   8  -6.559  -8.052  -6.423
   70   1HG2  VAL   8          1HG2      VAL   8  -5.962 -10.424  -4.160
   71   2HG2  VAL   8          2HG2      VAL   8  -5.073  -8.917  -4.377
   72   3HG2  VAL   8          3HG2      VAL   8  -4.250 -10.462  -4.579
   73    H    LYS   9           H        LYS   9  -8.628  -9.086  -7.466
   74    HA   LYS   9           HA       LYS   9  -7.950  -9.850 -10.246
   75   1HB   LYS   9          1HB       LYS   9 -10.581 -10.227  -8.823
   76   2HB   LYS   9          2HB       LYS   9 -10.476 -10.188 -10.582
   77   1HG   LYS   9          1HG       LYS   9  -8.542 -11.937 -10.210
   78   2HG   LYS   9          2HG       LYS   9  -9.338 -12.189  -8.665
   79   1HD   LYS   9          1HD       LYS   9 -11.471 -12.634  -9.864
   80   2HD   LYS   9          2HD       LYS   9 -10.629 -12.427 -11.397
   81   1HE   LYS   9          1HE       LYS   9  -9.155 -14.321 -10.882
   82   2HE   LYS   9          2HE       LYS   9  -9.921 -14.499  -9.294
   83   1HZ   LYS   9          1HZ       LYS   9 -11.305 -14.655 -11.926
   84   2HZ   LYS   9          2HZ       LYS   9 -12.055 -14.803 -10.411
   85   3HZ   LYS   9          3HZ       LYS   9 -10.946 -15.979 -10.926
   86    H    LYS  10           H        LYS  10  -9.064  -6.528 -11.113
   87    HA   LYS  10           HA       LYS  10  -8.338  -7.556 -13.044
   88   1HB   LYS  10          1HB       LYS  10  -6.237  -7.553 -12.069
   89   2HB   LYS  10          2HB       LYS  10  -6.700  -8.640 -10.775
   90   1HG   LYS  10          1HG       LYS  10  -5.163  -9.679 -12.454
   91   2HG   LYS  10          2HG       LYS  10  -6.697 -10.519 -12.301
   92   1HD   LYS  10          1HD       LYS  10  -6.098 -10.249 -14.676
   93   2HD   LYS  10          2HD       LYS  10  -7.548  -9.320 -14.298
   94   1HE   LYS  10          1HE       LYS  10  -6.494  -7.312 -14.645
   95   2HE   LYS  10          2HE       LYS  10  -4.976  -7.877 -13.921
   96   1HZ   LYS  10          1HZ       LYS  10  -4.660  -9.299 -15.889
   97   2HZ   LYS  10          2HZ       LYS  10  -4.700  -7.651 -16.300
   98   3HZ   LYS  10          3HZ       LYS  10  -6.055  -8.632 -16.591
   99    H    SER  11           H        SER  11 -10.496  -8.412 -13.402
  100    HA   SER  11           HA       SER  11 -10.663 -11.381 -13.011
  101   1HB   SER  11          1HB       SER  11 -13.114  -9.711 -13.374
  102   2HB   SER  11          2HB       SER  11 -12.856 -11.097 -12.318
  103    HG   SER  11           HG       SER  11 -13.053  -9.069 -11.208
  104    HA   PRO  12           HA       PRO  12 -11.618 -12.147 -17.232
  105   1HB   PRO  12          1HB       PRO  12 -14.571 -12.280 -16.836
  106   2HB   PRO  12          2HB       PRO  12 -13.472 -13.498 -17.506
  107   1HG   PRO  12          1HG       PRO  12 -14.538 -13.715 -15.051
  108   2HG   PRO  12          2HG       PRO  12 -12.926 -14.326 -15.444
  109   1HD   PRO  12          1HD       PRO  12 -13.710 -11.929 -13.883
  110   2HD   PRO  12          2HD       PRO  12 -12.272 -12.961 -13.734
  111    H    LEU  13           H        LEU  13 -14.458 -10.246 -16.111
  112    HA   LEU  13           HA       LEU  13 -14.513  -8.652 -18.550
  113   1HB   LEU  13          1HB       LEU  13 -16.023  -9.039 -16.054
  114   2HB   LEU  13          2HB       LEU  13 -16.025  -7.364 -16.606
  115    HG   LEU  13           HG       LEU  13 -17.915  -8.629 -17.578
  116   1HD1  LEU  13          1HD1      LEU  13 -16.282  -6.897 -18.865
  117   2HD1  LEU  13          2HD1      LEU  13 -17.712  -7.603 -19.617
  118   3HD1  LEU  13          3HD1      LEU  13 -16.120  -8.298 -19.923
  119   1HD2  LEU  13          1HD2      LEU  13 -16.910 -10.858 -17.591
  120   2HD2  LEU  13          2HD2      LEU  13 -15.701 -10.332 -18.763
  121   3HD2  LEU  13          3HD2      LEU  13 -17.400 -10.428 -19.230
  122    H    GLY  14           H        GLY  14 -13.163  -8.280 -15.309
  123   1HA   GLY  14          1HA       GLY  14 -11.089  -6.714 -15.472
  124   2HA   GLY  14          2HA       GLY  14 -12.270  -5.523 -16.018
  125    H    GLY  15           H        GLY  15 -12.263  -4.115 -14.270
  126   1HA   GLY  15          1HA       GLY  15 -12.907  -3.348 -12.143
  127   2HA   GLY  15          2HA       GLY  15 -13.701  -4.903 -11.895
  128    H    TYR  16           H        TYR  16 -11.875  -3.262 -10.118
  129    HA   TYR  16           HA       TYR  16  -9.754  -5.341  -9.680
  130   1HB   TYR  16          1HB       TYR  16  -9.843  -2.393  -9.726
  131   2HB   TYR  16          2HB       TYR  16  -8.953  -3.059  -8.359
  132    HD1  TYR  16           HD1      TYR  16  -8.325  -1.719 -11.377
  133    HD2  TYR  16           HD2      TYR  16  -7.714  -5.456  -9.348
  134    HE1  TYR  16           HE1      TYR  16  -6.405  -2.214 -12.866
  135    HE2  TYR  16           HE2      TYR  16  -5.794  -5.950 -10.838
  136    HH   TYR  16           HH       TYR  16  -4.141  -3.918 -12.442
  137    H    GLY  17           H        GLY  17 -11.330  -6.527  -8.332
  138   1HA   GLY  17          1HA       GLY  17 -11.572  -5.326  -5.607
  139   2HA   GLY  17          2HA       GLY  17 -12.945  -6.166  -6.330
  140    H    VAL  18           H        VAL  18 -12.525  -7.495  -4.206
  141    HA   VAL  18           HA       VAL  18 -10.272  -9.416  -4.543
  142    HB   VAL  18           HB       VAL  18 -12.311  -8.899  -2.350
  143   1HG1  VAL  18          1HG1      VAL  18 -10.620 -10.317  -1.009
  144   2HG1  VAL  18          2HG1      VAL  18 -10.027 -10.865  -2.577
  145   3HG1  VAL  18          3HG1      VAL  18 -11.697 -11.182  -2.106
  146   1HG2  VAL  18          1HG2      VAL  18 -10.104  -8.181  -1.189
  147   2HG2  VAL  18          2HG2      VAL  18 -10.814  -7.083  -2.372
  148   3HG2  VAL  18          3HG2      VAL  18  -9.446  -8.101  -2.823
  149    H    PHE  19           H        PHE  19 -10.634 -11.672  -4.688
  150    HA   PHE  19           HA       PHE  19 -13.425 -12.476  -5.437
  151   1HB   PHE  19          1HB       PHE  19 -10.741 -12.893  -6.585
  152   2HB   PHE  19          2HB       PHE  19 -11.681 -14.379  -6.448
  153    HD1  PHE  19           HD1      PHE  19 -12.173 -10.792  -7.458
  154    HD2  PHE  19           HD2      PHE  19 -13.104 -14.919  -8.207
  155    HE1  PHE  19           HE1      PHE  19 -13.510 -10.131  -9.440
  156    HE2  PHE  19           HE2      PHE  19 -14.440 -14.258 -10.189
  157    HZ   PHE  19           HZ       PHE  19 -14.642 -11.865 -10.807
  158    H    ALA  20           H        ALA  20 -14.328 -13.800  -3.914
  159    HA   ALA  20           HA       ALA  20 -12.616 -15.015  -1.846
  160   1HB   ALA  20          1HB       ALA  20 -15.162 -13.878  -2.015
  161   2HB   ALA  20          2HB       ALA  20 -14.510 -14.735  -0.618
  162   3HB   ALA  20          3HB       ALA  20 -15.487 -15.599  -1.805
  163    H    ARG  21           H        ARG  21 -11.580 -16.704  -3.143
  164    HA   ARG  21           HA       ARG  21 -12.980 -18.704  -4.642
  165   1HB   ARG  21          1HB       ARG  21 -10.350 -18.072  -3.783
  166   2HB   ARG  21          2HB       ARG  21 -10.671 -19.716  -3.237
  167   1HG   ARG  21          1HG       ARG  21 -10.852 -20.543  -5.374
  168   2HG   ARG  21          2HG       ARG  21 -11.508 -19.035  -6.012
  169   1HD   ARG  21          1HD       ARG  21  -9.445 -18.394  -6.698
  170   2HD   ARG  21          2HD       ARG  21  -8.797 -18.619  -5.062
  171    HE   ARG  21           HE       ARG  21  -8.671 -20.567  -7.244
  172   1HH1  ARG  21          1HH1      ARG  21  -8.739 -20.098  -3.795
  173   2HH1  ARG  21          2HH1      ARG  21  -7.953 -21.603  -3.465
  174   1HH2  ARG  21          1HH2      ARG  21  -7.651 -22.515  -6.789
  175   2HH2  ARG  21          2HH2      ARG  21  -7.341 -22.962  -5.145
  176    H    LYS  22           H        LYS  22 -12.546 -18.156  -1.228
  177    HA   LYS  22           HA       LYS  22 -13.484 -20.854  -0.456
  178   1HB   LYS  22          1HB       LYS  22 -12.863 -18.353   1.174
  179   2HB   LYS  22          2HB       LYS  22 -12.970 -19.996   1.792
  180   1HG   LYS  22          1HG       LYS  22 -11.125 -20.388  -0.126
  181   2HG   LYS  22          2HG       LYS  22 -10.789 -18.699   0.253
  182   1HD   LYS  22          1HD       LYS  22 -10.234 -19.173   2.475
  183   2HD   LYS  22          2HD       LYS  22 -11.124 -20.692   2.478
  184   1HE   LYS  22          1HE       LYS  22  -8.719 -20.322   0.685
  185   2HE   LYS  22          2HE       LYS  22  -8.541 -20.853   2.368
  186   1HZ   LYS  22          1HZ       LYS  22 -10.122 -22.621   1.956
  187   2HZ   LYS  22          2HZ       LYS  22  -8.847 -22.736   0.840
  188   3HZ   LYS  22          3HZ       LYS  22 -10.345 -22.101   0.355
  189    H    SER  23           H        SER  23 -16.696 -19.637   0.955
  190    HA   SER  23           HA       SER  23 -14.295 -21.349   1.434
  191   1HB   SER  23          1HB       SER  23 -16.695 -21.928   2.975
  192   2HB   SER  23          2HB       SER  23 -17.074 -21.783   1.258
  193    HG   SER  23           HG       SER  23 -15.217 -23.214   0.934
  194    H    PHE  24           H        PHE  24 -16.189 -18.739   2.752
  195    HA   PHE  24           HA       PHE  24 -14.483 -18.792   5.217
  196   1HB   PHE  24          1HB       PHE  24 -15.539 -16.730   3.334
  197   2HB   PHE  24          2HB       PHE  24 -15.427 -16.259   5.030
  198    HD1  PHE  24           HD1      PHE  24 -13.097 -17.423   6.106
  199    HD2  PHE  24           HD2      PHE  24 -13.711 -15.989   2.104
  200    HE1  PHE  24           HE1      PHE  24 -10.654 -17.081   5.854
  201    HE2  PHE  24           HE2      PHE  24 -11.269 -15.647   1.851
  202    HZ   PHE  24           HZ       PHE  24  -9.739 -16.193   3.727
  203    H    GLU  25           H        GLU  25 -15.507 -18.287   7.237
  204    HA   GLU  25           HA       GLU  25 -18.406 -18.933   7.320
  205   1HB   GLU  25          1HB       GLU  25 -16.027 -19.027   9.111
  206   2HB   GLU  25          2HB       GLU  25 -17.574 -18.725   9.901
  207   1HG   GLU  25          1HG       GLU  25 -18.487 -20.768   9.166
  208   2HG   GLU  25          2HG       GLU  25 -17.282 -20.951   7.892
  209    H    LYS  26           H        LYS  26 -19.147 -17.608   9.643
  210    HA   LYS  26           HA       LYS  26 -19.265 -14.797   8.689
  211   1HB   LYS  26          1HB       LYS  26 -21.239 -16.329   9.362
  212   2HB   LYS  26          2HB       LYS  26 -20.713 -16.072  11.018
  213   1HG   LYS  26          1HG       LYS  26 -21.062 -13.710  10.869
  214   2HG   LYS  26          2HG       LYS  26 -21.268 -13.788   9.120
  215   1HD   LYS  26          1HD       LYS  26 -23.323 -15.124   9.420
  216   2HD   LYS  26          2HD       LYS  26 -23.117 -15.046  11.170
  217   1HE   LYS  26          1HE       LYS  26 -24.356 -13.137  11.089
  218   2HE   LYS  26          2HE       LYS  26 -22.945 -12.373  10.332
  219   1HZ   LYS  26          1HZ       LYS  26 -24.756 -12.148   8.823
  220   2HZ   LYS  26          2HZ       LYS  26 -25.187 -13.783   8.983
  221   3HZ   LYS  26          3HZ       LYS  26 -23.746 -13.358   8.191
  222    H    GLY  27           H        GLY  27 -17.846 -13.353   9.570
  223   1HA   GLY  27          1HA       GLY  27 -16.807 -12.146  11.342
  224   2HA   GLY  27          2HA       GLY  27 -17.326 -13.400  12.467
  225    H    GLU  28           H        GLU  28 -15.422 -13.630   9.453
  226    HA   GLU  28           HA       GLU  28 -13.193 -14.807  11.085
  227   1HB   GLU  28          1HB       GLU  28 -14.891 -15.942   9.081
  228   2HB   GLU  28          2HB       GLU  28 -13.273 -15.816   8.391
  229   1HG   GLU  28          1HG       GLU  28 -13.894 -17.049  11.093
  230   2HG   GLU  28          2HG       GLU  28 -13.652 -17.971   9.609
  231    H    LEU  29           H        LEU  29 -11.260 -13.767  10.758
  232    HA   LEU  29           HA       LEU  29 -10.898 -11.463   9.177
  233   1HB   LEU  29          1HB       LEU  29  -9.458 -12.352  11.046
  234   2HB   LEU  29          2HB       LEU  29  -8.835 -13.567   9.931
  235    HG   LEU  29           HG       LEU  29  -8.025 -11.761   8.435
  236   1HD1  LEU  29          1HD1      LEU  29  -9.057  -9.760   8.658
  237   2HD1  LEU  29          2HD1      LEU  29  -8.022  -9.499  10.064
  238   3HD1  LEU  29          3HD1      LEU  29  -9.643 -10.164  10.270
  239   1HD2  LEU  29          1HD2      LEU  29  -6.244 -12.348   9.758
  240   2HD2  LEU  29          2HD2      LEU  29  -7.135 -12.077  11.256
  241   3HD2  LEU  29          3HD2      LEU  29  -6.463 -10.708  10.369
  242    H    VAL  30           H        VAL  30  -9.459 -11.267   7.210
  243    HA   VAL  30           HA       VAL  30  -9.629 -13.671   5.429
  244    HB   VAL  30           HB       VAL  30 -10.379 -10.779   4.858
  245   1HG1  VAL  30          1HG1      VAL  30  -9.650 -11.352   2.764
  246   2HG1  VAL  30          2HG1      VAL  30 -11.205 -12.180   2.684
  247   3HG1  VAL  30          3HG1      VAL  30  -9.745 -13.082   3.094
  248   1HG2  VAL  30          1HG2      VAL  30 -11.916 -13.346   5.227
  249   2HG2  VAL  30          2HG2      VAL  30 -12.590 -12.021   4.277
  250   3HG2  VAL  30          3HG2      VAL  30 -12.196 -11.776   5.979
  251    H    GLU  31           H        GLU  31  -8.468 -10.310   5.017
  252    HA   GLU  31           HA       GLU  31  -5.696 -11.378   4.672
  253   1HB   GLU  31          1HB       GLU  31  -7.088 -11.112   2.515
  254   2HB   GLU  31          2HB       GLU  31  -6.998  -9.375   2.806
  255   1HG   GLU  31          1HG       GLU  31  -5.043  -9.475   1.656
  256   2HG   GLU  31          2HG       GLU  31  -4.376 -10.157   3.140
  257    H    GLU  32           H        GLU  32  -5.938 -10.223   6.965
  258    HA   GLU  32           HA       GLU  32  -6.141  -7.405   7.206
  259   1HB   GLU  32          1HB       GLU  32  -4.834  -7.832   9.302
  260   2HB   GLU  32          2HB       GLU  32  -6.138  -8.997   9.080
  261   1HG   GLU  32          1HG       GLU  32  -4.643 -10.680   9.122
  262   2HG   GLU  32          2HG       GLU  32  -3.825  -9.988   7.721
  263    H    CYS  33           H        CYS  33  -4.531  -5.759   7.165
  264    HA   CYS  33           HA       CYS  33  -1.786  -6.495   6.303
  265   1HB   CYS  33          1HB       CYS  33  -3.937  -5.243   4.666
  266   2HB   CYS  33          2HB       CYS  33  -2.335  -4.521   4.516
  267    HG   CYS  33           HG       CYS  33  -1.850  -7.397   4.253
  268    H    LEU  34           H        LEU  34  -0.871  -3.964   5.668
  269    HA   LEU  34           HA       LEU  34  -1.193  -2.541   8.276
  270   1HB   LEU  34          1HB       LEU  34   0.976  -3.299   6.526
  271   2HB   LEU  34          2HB       LEU  34   0.986  -1.563   6.749
  272    HG   LEU  34           HG       LEU  34   0.532  -2.294   9.289
  273   1HD1  LEU  34          1HD1      LEU  34   1.868  -4.564   7.864
  274   2HD1  LEU  34          2HD1      LEU  34   0.565  -4.620   9.050
  275   3HD1  LEU  34          3HD1      LEU  34   2.214  -4.261   9.568
  276   1HD2  LEU  34          1HD2      LEU  34   3.274  -2.313   7.985
  277   2HD2  LEU  34          2HD2      LEU  34   2.917  -1.941   9.672
  278   3HD2  LEU  34          3HD2      LEU  34   2.377  -0.850   8.395
  279    H    CYS  35           H        CYS  35  -1.227  -0.144   8.183
  280    HA   CYS  35           HA       CYS  35  -2.197   0.956   5.568
  281   1HB   CYS  35          1HB       CYS  35  -3.401   1.073   8.344
  282   2HB   CYS  35          2HB       CYS  35  -3.834   2.253   7.108
  283    HG   CYS  35           HG       CYS  35  -4.385  -0.072   5.637
  284    H    ILE  36           H        ILE  36  -2.404   3.528   5.965
  285    HA   ILE  36           HA       ILE  36   0.174   4.365   7.271
  286    HB   ILE  36           HB       ILE  36  -1.412   5.514   4.945
  287   1HG1  ILE  36          1HG1      ILE  36   1.311   4.181   5.052
  288   2HG1  ILE  36          2HG1      ILE  36  -0.166   3.420   4.459
  289   1HG2  ILE  36          1HG2      ILE  36   1.272   6.392   6.051
  290   2HG2  ILE  36          2HG2      ILE  36  -0.246   7.239   6.344
  291   3HG2  ILE  36          3HG2      ILE  36   0.397   7.124   4.706
  292   1HD1  ILE  36          1HD1      ILE  36  -0.200   4.678   2.528
  293   2HD1  ILE  36          2HD1      ILE  36   1.541   4.676   2.813
  294   3HD1  ILE  36          3HD1      ILE  36   0.570   6.067   3.294
  295    H    VAL  37           H        VAL  37   0.120   6.326   8.517
  296    HA   VAL  37           HA       VAL  37  -2.640   7.265   9.237
  297    HB   VAL  37           HB       VAL  37  -0.151   6.963  10.957
  298   1HG1  VAL  37          1HG1      VAL  37  -1.855   7.309  12.813
  299   2HG1  VAL  37          2HG1      VAL  37  -2.986   7.829  11.563
  300   3HG1  VAL  37          3HG1      VAL  37  -1.500   8.738  11.841
  301   1HG2  VAL  37          1HG2      VAL  37  -2.695   5.378  11.231
  302   2HG2  VAL  37          2HG2      VAL  37  -1.081   4.990  11.826
  303   3HG2  VAL  37          3HG2      VAL  37  -1.440   4.860  10.105
  304    H    ARG  38           H        ARG  38  -2.648   9.176   7.998
  305    HA   ARG  38           HA       ARG  38  -0.541  11.196   8.701
  306   1HB   ARG  38          1HB       ARG  38  -1.192   9.928   6.208
  307   2HB   ARG  38          2HB       ARG  38  -1.574  11.639   6.077
  308   1HG   ARG  38          1HG       ARG  38   1.069  10.487   7.018
  309   2HG   ARG  38          2HG       ARG  38   0.767  11.181   5.424
  310   1HD   ARG  38          1HD       ARG  38   0.059  13.319   6.619
  311   2HD   ARG  38          2HD       ARG  38   0.711  12.592   8.094
  312    HE   ARG  38           HE       ARG  38   2.583  12.378   5.891
  313   1HH1  ARG  38          1HH1      ARG  38   1.323  14.543   8.309
  314   2HH1  ARG  38          2HH1      ARG  38   2.757  15.508   8.350
  315   1HH2  ARG  38          1HH2      ARG  38   4.434  13.647   5.963
  316   2HH2  ARG  38          2HH2      ARG  38   4.506  15.007   7.033
  317    H    HIS  39           H        HIS  39  -1.399  13.150   9.340
  318    HA   HIS  39           HA       HIS  39  -4.093  13.581   9.957
  319   1HB   HIS  39          1HB       HIS  39  -1.615  15.126   9.631
  320   2HB   HIS  39          2HB       HIS  39  -3.062  16.096   9.355
  321    HD1  HIS  39           HD1      HIS  39  -2.838  17.363  11.610
  322    HD2  HIS  39           HD2      HIS  39  -3.159  13.229  12.042
  323    HE1  HIS  39           HE1      HIS  39  -3.267  16.931  14.069
  324    H    ASN  40           H        ASN  40  -5.369  15.536   8.885
  325    HA   ASN  40           HA       ASN  40  -6.078  14.698   6.193
  326   1HB   ASN  40          1HB       ASN  40  -7.437  15.700   8.225
  327   2HB   ASN  40          2HB       ASN  40  -6.968  17.249   7.524
  328   1HD2  ASN  40          1HD2      ASN  40  -8.795  17.967   6.391
  329   2HD2  ASN  40          2HD2      ASN  40  -9.676  17.026   5.286
  330    H    ASP  41           H        ASP  41  -6.552  17.832   5.713
  331    HA   ASP  41           HA       ASP  41  -5.512  19.499   4.463
  332   1HB   ASP  41          1HB       ASP  41  -2.989  18.349   5.702
  333   2HB   ASP  41          2HB       ASP  41  -3.260  19.992   5.147
  334    H    ASP  42           H        ASP  42  -2.691  19.145   3.425
  335    HA   ASP  42           HA       ASP  42  -3.137  18.332   0.824
  336   1HB   ASP  42          1HB       ASP  42  -0.746  18.162   2.665
  337   2HB   ASP  42          2HB       ASP  42  -0.612  17.711   0.965
  338    H    TRP  43           H        TRP  43  -2.663  16.219   3.606
  339    HA   TRP  43           HA       TRP  43  -1.995  13.791   2.305
  340   1HB   TRP  43          1HB       TRP  43  -1.966  14.112   4.726
  341   2HB   TRP  43          2HB       TRP  43  -3.701  14.420   4.741
  342    HD1  TRP  43           HD1      TRP  43  -4.913  12.418   5.695
  343    HE1  TRP  43           HE1      TRP  43  -4.722   9.857   5.473
  344    HE3  TRP  43           HE3      TRP  43  -0.818  12.096   2.661
  345    HZ2  TRP  43           HZ2      TRP  43  -3.055   7.930   4.183
  346    HZ3  TRP  43           HZ3      TRP  43   0.047   9.885   1.953
  347    HH2  TRP  43           HH2      TRP  43  -1.064   7.803   2.708
  348    H    GLY  44           H        GLY  44  -5.264  14.948   3.235
  349   1HA   GLY  44          1HA       GLY  44  -6.631  12.836   1.848
  350   2HA   GLY  44          2HA       GLY  44  -7.374  14.331   2.416
  351    H    THR  45           H        THR  45  -6.103  16.272   0.983
  352    HA   THR  45           HA       THR  45  -7.402  16.377  -1.478
  353    HB   THR  45           HB       THR  45  -4.648  17.515  -0.913
  354    HG1  THR  45           HG1      THR  45  -5.529  18.832   0.493
  355   1HG2  THR  45          1HG2      THR  45  -6.796  19.153  -2.106
  356   2HG2  THR  45          2HG2      THR  45  -6.270  17.795  -3.101
  357   3HG2  THR  45          3HG2      THR  45  -5.102  19.006  -2.574
  358    H    ALA  46           H        ALA  46  -4.083  15.170  -0.890
  359    HA   ALA  46           HA       ALA  46  -3.669  14.508  -3.708
  360   1HB   ALA  46          1HB       ALA  46  -2.241  14.254  -1.083
  361   2HB   ALA  46          2HB       ALA  46  -1.693  15.002  -2.583
  362   3HB   ALA  46          3HB       ALA  46  -1.689  13.246  -2.421
  363    H    LEU  47           H        LEU  47  -4.151  12.585  -0.719
  364    HA   LEU  47           HA       LEU  47  -4.477  10.126  -2.333
  365   1HB   LEU  47          1HB       LEU  47  -4.264  10.866   0.591
  366   2HB   LEU  47          2HB       LEU  47  -4.756   9.242   0.117
  367    HG   LEU  47           HG       LEU  47  -2.337   9.294   0.472
  368   1HD1  LEU  47          1HD1      LEU  47  -3.573   8.218  -1.682
  369   2HD1  LEU  47          2HD1      LEU  47  -1.845   8.041  -1.377
  370   3HD1  LEU  47          3HD1      LEU  47  -2.421   9.277  -2.495
  371   1HD2  LEU  47          1HD2      LEU  47  -1.919  11.143  -1.832
  372   2HD2  LEU  47          2HD2      LEU  47  -0.919  10.885  -0.403
  373   3HD2  LEU  47          3HD2      LEU  47  -2.385  11.859  -0.289
  374    H    GLU  48           H        GLU  48  -6.549  12.353  -2.376
  375    HA   GLU  48           HA       GLU  48  -8.848  11.551  -0.853
  376   1HB   GLU  48          1HB       GLU  48 -10.015  12.994  -2.562
  377   2HB   GLU  48          2HB       GLU  48  -8.595  13.766  -1.857
  378   1HG   GLU  48          1HG       GLU  48  -7.811  14.052  -3.949
  379   2HG   GLU  48          2HG       GLU  48  -7.628  12.302  -4.056
  380    H    ASP  49           H        ASP  49  -8.612   9.123  -1.304
  381    HA   ASP  49           HA       ASP  49 -10.595   8.291  -3.226
  382   1HB   ASP  49          1HB       ASP  49  -8.081   8.868  -4.281
  383   2HB   ASP  49          2HB       ASP  49  -8.049   7.115  -4.092
  384    H    TYR  50           H        TYR  50  -7.727   7.323  -1.340
  385    HA   TYR  50           HA       TYR  50  -9.220   4.844  -0.543
  386   1HB   TYR  50          1HB       TYR  50  -6.254   5.122  -1.160
  387   2HB   TYR  50          2HB       TYR  50  -7.101   3.627  -0.774
  388    HD1  TYR  50           HD1      TYR  50  -9.376   3.361  -2.322
  389    HD2  TYR  50           HD2      TYR  50  -5.768   5.428  -3.404
  390    HE1  TYR  50           HE1      TYR  50  -9.930   3.075  -4.722
  391    HE2  TYR  50           HE2      TYR  50  -6.323   5.141  -5.803
  392    HH   TYR  50           HH       TYR  50  -8.880   3.068  -6.862
  393    H    LEU  51           H        LEU  51  -9.297   7.105   1.068
  394    HA   LEU  51           HA       LEU  51  -7.328   6.458   3.241
  395   1HB   LEU  51          1HB       LEU  51  -8.611   9.067   2.355
  396   2HB   LEU  51          2HB       LEU  51  -7.627   8.908   3.807
  397    HG   LEU  51           HG       LEU  51  -6.731   8.409   0.954
  398   1HD1  LEU  51          1HD1      LEU  51  -6.269  10.617   1.040
  399   2HD1  LEU  51          2HD1      LEU  51  -5.076  10.248   2.285
  400   3HD1  LEU  51          3HD1      LEU  51  -6.719  10.699   2.743
  401   1HD2  LEU  51          1HD2      LEU  51  -5.582   7.663   3.595
  402   2HD2  LEU  51          2HD2      LEU  51  -4.464   8.360   2.423
  403   3HD2  LEU  51          3HD2      LEU  51  -5.366   6.901   2.019
  404    H    PHE  52           H        PHE  52  -8.231   5.885   5.170
  405    HA   PHE  52           HA       PHE  52 -11.169   6.139   5.548
  406   1HB   PHE  52          1HB       PHE  52  -8.883   4.727   6.959
  407   2HB   PHE  52          2HB       PHE  52 -10.508   4.781   7.643
  408    HD1  PHE  52           HD1      PHE  52  -8.329   3.024   5.452
  409    HD2  PHE  52           HD2      PHE  52 -12.456   4.073   6.024
  410    HE1  PHE  52           HE1      PHE  52  -9.010   1.148   3.980
  411    HE2  PHE  52           HE2      PHE  52 -13.136   2.196   4.552
  412    HZ   PHE  52           HZ       PHE  52 -11.414   0.734   3.530
  413    H    SER  53           H        SER  53 -11.618   8.252   6.199
  414    HA   SER  53           HA       SER  53  -9.719   9.716   7.890
  415   1HB   SER  53          1HB       SER  53 -11.358  11.542   7.504
  416   2HB   SER  53          2HB       SER  53 -10.943  10.730   5.993
  417    HG   SER  53           HG       SER  53 -13.324  10.822   7.360
  418    H    ARG  54           H        ARG  54  -9.724   9.258  10.043
  419    HA   ARG  54           HA       ARG  54 -12.295   8.617  11.407
  420   1HB   ARG  54          1HB       ARG  54  -9.974   7.353  11.526
  421   2HB   ARG  54          2HB       ARG  54  -9.559   8.629  12.670
  422   1HG   ARG  54          1HG       ARG  54 -10.876   7.743  14.285
  423   2HG   ARG  54          2HG       ARG  54 -12.212   7.490  13.162
  424   1HD   ARG  54          1HD       ARG  54 -11.735   5.274  13.158
  425   2HD   ARG  54          2HD       ARG  54 -10.147   5.642  12.459
  426    HE   ARG  54           HE       ARG  54  -9.955   6.289  15.188
  427   1HH1  ARG  54          1HH1      ARG  54 -10.635   3.471  13.260
  428   2HH1  ARG  54          2HH1      ARG  54  -9.989   2.377  14.433
  429   1HH2  ARG  54          1HH2      ARG  54  -9.121   4.847  16.695
  430   2HH2  ARG  54          2HH2      ARG  54  -9.137   3.147  16.362
  431    H    LYS  55           H        LYS  55 -12.199   9.601  13.814
  432    HA   LYS  55           HA       LYS  55 -12.255  12.489  13.479
  433   1HB   LYS  55          1HB       LYS  55 -13.796  10.946  14.848
  434   2HB   LYS  55          2HB       LYS  55 -12.491  10.861  16.031
  435   1HG   LYS  55          1HG       LYS  55 -12.843  12.991  16.759
  436   2HG   LYS  55          2HG       LYS  55 -13.176  13.593  15.135
  437   1HD   LYS  55          1HD       LYS  55 -15.373  12.123  15.414
  438   2HD   LYS  55          2HD       LYS  55 -15.047  12.374  17.129
  439   1HE   LYS  55          1HE       LYS  55 -15.468  14.646  17.009
  440   2HE   LYS  55          2HE       LYS  55 -14.892  14.766  15.335
  441   1HZ   LYS  55          1HZ       LYS  55 -17.311  13.221  16.082
  442   2HZ   LYS  55          2HZ       LYS  55 -16.834  13.735  14.535
  443   3HZ   LYS  55          3HZ       LYS  55 -17.390  14.867  15.672
  444    H    ASN  56           H        ASN  56  -9.972  12.857  13.027
  445    HA   ASN  56           HA       ASN  56  -8.017  12.329  15.175
  446   1HB   ASN  56          1HB       ASN  56  -7.576  14.791  15.390
  447   2HB   ASN  56          2HB       ASN  56  -8.948  15.099  14.326
  448   1HD2  ASN  56          1HD2      ASN  56  -8.074  13.697  17.503
  449   2HD2  ASN  56          2HD2      ASN  56  -9.619  13.872  18.184
  450    H    MET  57           H        MET  57  -8.459  11.777  12.206
  451    HA   MET  57           HA       MET  57  -6.624  13.392  10.680
  452   1HB   MET  57          1HB       MET  57  -4.680  11.857  10.743
  453   2HB   MET  57          2HB       MET  57  -5.042  12.447  12.355
  454   1HG   MET  57          1HG       MET  57  -6.304   9.915  11.442
  455   2HG   MET  57          2HG       MET  57  -4.613   9.877  11.882
  456   1HE   MET  57          1HE       MET  57  -3.650  10.718  13.567
  457   2HE   MET  57          2HE       MET  57  -4.027   9.511  14.799
  458   3HE   MET  57          3HE       MET  57  -4.245  11.227  15.150
  459    H    SER  58           H        SER  58  -5.500  11.391   9.042
  460    HA   SER  58           HA       SER  58  -7.804   9.722   8.144
  461   1HB   SER  58          1HB       SER  58  -6.478  12.032   6.800
  462   2HB   SER  58          2HB       SER  58  -6.856  10.647   5.776
  463    HG   SER  58           HG       SER  58  -8.500  12.480   6.386
  464    H    ALA  59           H        ALA  59  -7.050   7.673   7.773
  465    HA   ALA  59           HA       ALA  59  -4.112   7.326   7.324
  466   1HB   ALA  59          1HB       ALA  59  -5.371   4.879   7.970
  467   2HB   ALA  59          2HB       ALA  59  -6.176   6.097   8.960
  468   3HB   ALA  59          3HB       ALA  59  -4.425   5.897   9.059
  469    H    MET  60           H        MET  60  -3.436   5.723   5.731
  470    HA   MET  60           HA       MET  60  -5.273   5.552   3.415
  471   1HB   MET  60          1HB       MET  60  -2.751   6.173   3.441
  472   2HB   MET  60          2HB       MET  60  -2.463   4.452   3.679
  473   1HG   MET  60          1HG       MET  60  -3.325   3.886   1.578
  474   2HG   MET  60          2HG       MET  60  -4.263   5.374   1.453
  475   1HE   MET  60          1HE       MET  60  -2.033   6.099  -1.486
  476   2HE   MET  60          2HE       MET  60  -3.616   6.336  -0.746
  477   3HE   MET  60          3HE       MET  60  -3.005   4.704  -1.018
  478    H    ALA  61           H        ALA  61  -5.433   3.385   2.280
  479    HA   ALA  61           HA       ALA  61  -6.135   1.303   4.216
  480   1HB   ALA  61          1HB       ALA  61  -7.607   1.086   2.492
  481   2HB   ALA  61          2HB       ALA  61  -6.305   0.296   1.602
  482   3HB   ALA  61          3HB       ALA  61  -6.574   2.029   1.416
  483    H    LEU  62           H        LEU  62  -3.440   1.953   2.068
  484    HA   LEU  62           HA       LEU  62  -1.725   0.066   3.337
  485   1HB   LEU  62          1HB       LEU  62  -0.921   0.651   0.629
  486   2HB   LEU  62          2HB       LEU  62  -1.645   2.092   1.344
  487    HG   LEU  62           HG       LEU  62  -0.167   1.732   3.358
  488   1HD1  LEU  62          1HD1      LEU  62   1.932   0.262   2.429
  489   2HD1  LEU  62          2HD1      LEU  62   0.581  -0.603   1.698
  490   3HD1  LEU  62          3HD1      LEU  62   0.652  -0.397   3.448
  491   1HD2  LEU  62          1HD2      LEU  62   1.711   2.793   2.365
  492   2HD2  LEU  62          2HD2      LEU  62   0.349   3.241   1.338
  493   3HD2  LEU  62          3HD2      LEU  62   1.462   1.971   0.825
  494    H    GLY  63           H        GLY  63  -2.735  -2.020   3.319
  495   1HA   GLY  63          1HA       GLY  63  -2.027  -3.700   1.130
  496   2HA   GLY  63          2HA       GLY  63  -3.085  -4.170   2.458
  497    H    PHE  64           H        PHE  64  -4.641  -5.219   1.202
  498    HA   PHE  64           HA       PHE  64  -5.814  -3.943  -1.162
  499   1HB   PHE  64          1HB       PHE  64  -6.530  -6.411   0.466
  500   2HB   PHE  64          2HB       PHE  64  -7.171  -6.032  -1.132
  501    HD1  PHE  64           HD1      PHE  64  -5.575  -5.851  -3.090
  502    HD2  PHE  64           HD2      PHE  64  -4.386  -7.411   0.731
  503    HE1  PHE  64           HE1      PHE  64  -3.586  -6.898  -4.137
  504    HE2  PHE  64           HE2      PHE  64  -2.396  -8.458  -0.315
  505    HZ   PHE  64           HZ       PHE  64  -1.996  -8.202  -2.750
  506    H    GLY  65           H        GLY  65  -6.218  -2.150   0.896
  507   1HA   GLY  65          1HA       GLY  65  -8.908  -2.636   2.026
  508   2HA   GLY  65          2HA       GLY  65  -7.865  -1.264   2.399
  509    H    ALA  66           H        ALA  66  -7.364  -0.864  -0.556
  510    HA   ALA  66           HA       ALA  66  -9.743   0.827  -1.036
  511   1HB   ALA  66          1HB       ALA  66  -7.866   2.041  -1.567
  512   2HB   ALA  66          2HB       ALA  66  -8.026   1.226  -3.122
  513   3HB   ALA  66          3HB       ALA  66  -6.912   0.598  -1.907
  514    H    ILE  67           H        ILE  67  -7.948  -1.768  -2.704
  515    HA   ILE  67           HA       ILE  67  -9.283  -2.006  -5.085
  516    HB   ILE  67           HB       ILE  67  -8.885  -4.525  -4.780
  517   1HG1  ILE  67          1HG1      ILE  67  -7.417  -5.031  -2.771
  518   2HG1  ILE  67          2HG1      ILE  67  -7.982  -3.521  -2.068
  519   1HG2  ILE  67          1HG2      ILE  67  -6.545  -2.760  -4.038
  520   2HG2  ILE  67          2HG2      ILE  67  -7.239  -2.799  -5.659
  521   3HG2  ILE  67          3HG2      ILE  67  -6.516  -4.255  -4.974
  522   1HD1  ILE  67          1HD1      ILE  67 -10.157  -5.191  -3.104
  523   2HD1  ILE  67          2HD1      ILE  67  -9.993  -4.406  -1.532
  524   3HD1  ILE  67          3HD1      ILE  67  -9.230  -5.964  -1.819
  525    H    PHE  68           H        PHE  68 -10.736  -2.684  -1.948
  526    HA   PHE  68           HA       PHE  68 -12.867  -4.386  -2.705
  527   1HB   PHE  68          1HB       PHE  68 -12.687  -2.072  -0.747
  528   2HB   PHE  68          2HB       PHE  68 -14.030  -3.212  -0.778
  529    HD1  PHE  68           HD1      PHE  68 -12.719  -5.768  -1.345
  530    HD2  PHE  68           HD2      PHE  68 -11.459  -2.547   1.202
  531    HE1  PHE  68           HE1      PHE  68 -11.401  -7.363   0.020
  532    HE2  PHE  68           HE2      PHE  68 -10.140  -4.143   2.566
  533    HZ   PHE  68           HZ       PHE  68 -10.111  -6.551   1.975
  534    H    ASN  69           H        ASN  69 -14.875  -3.992  -3.712
  535    HA   ASN  69           HA       ASN  69 -15.213  -1.254  -4.898
  536   1HB   ASN  69          1HB       ASN  69 -15.716  -4.069  -5.888
  537   2HB   ASN  69          2HB       ASN  69 -16.447  -2.674  -6.683
  538   1HD2  ASN  69          1HD2      ASN  69 -14.253  -4.563  -7.644
  539   2HD2  ASN  69          2HD2      ASN  69 -12.960  -3.540  -8.055
  540    H    HIS  70           H        HIS  70 -17.740  -1.422  -5.863
  541    HA   HIS  70           HA       HIS  70 -19.400  -1.695  -3.392
  542   1HB   HIS  70          1HB       HIS  70 -19.189   0.487  -4.675
  543   2HB   HIS  70          2HB       HIS  70 -19.987  -0.308  -6.032
  544    HD1  HIS  70           HD1      HIS  70 -21.923   1.533  -5.604
  545    HD2  HIS  70           HD2      HIS  70 -21.470  -1.356  -2.632
  546    HE1  HIS  70           HE1      HIS  70 -24.035   1.604  -4.208
  547    H    SER  71           H        SER  71 -20.373  -3.710  -3.341
  548    HA   SER  71           HA       SER  71 -21.461  -4.783  -5.925
  549   1HB   SER  71          1HB       SER  71 -19.544  -5.979  -4.746
  550   2HB   SER  71          2HB       SER  71 -20.659  -6.299  -3.418
  551    HG   SER  71           HG       SER  71 -22.027  -7.331  -4.961
  552    H    LYS  72           H        LYS  72 -22.665  -3.031  -3.625
  553    HA   LYS  72           HA       LYS  72 -24.740  -2.898  -2.499
  554   1HB   LYS  72          1HB       LYS  72 -25.378  -4.967  -4.638
  555   2HB   LYS  72          2HB       LYS  72 -26.560  -3.975  -3.785
  556   1HG   LYS  72          1HG       LYS  72 -24.287  -2.702  -5.305
  557   2HG   LYS  72          2HG       LYS  72 -25.766  -3.188  -6.133
  558   1HD   LYS  72          1HD       LYS  72 -26.903  -1.887  -4.105
  559   2HD   LYS  72          2HD       LYS  72 -25.352  -1.048  -4.086
  560   1HE   LYS  72          1HE       LYS  72 -25.619  -0.508  -6.494
  561   2HE   LYS  72          2HE       LYS  72 -27.192  -1.328  -6.493
  562   1HZ   LYS  72          1HZ       LYS  72 -26.463   0.849  -4.605
  563   2HZ   LYS  72          2HZ       LYS  72 -28.000   0.166  -4.844
  564   3HZ   LYS  72          3HZ       LYS  72 -27.297   1.122  -6.059
  565    H    ASP  73           H        ASP  73 -22.721  -5.112  -1.791
  566    HA   ASP  73           HA       ASP  73 -24.304  -6.410   0.247
  567   1HB   ASP  73          1HB       ASP  73 -24.104  -7.577  -2.438
  568   2HB   ASP  73          2HB       ASP  73 -23.548  -8.687  -1.186
  569    HA   PRO  74           HA       PRO  74 -19.588  -6.252   0.456
  570   1HB   PRO  74          1HB       PRO  74 -19.654  -5.122   3.022
  571   2HB   PRO  74          2HB       PRO  74 -19.402  -4.223   1.516
  572   1HG   PRO  74          1HG       PRO  74 -21.859  -4.548   3.147
  573   2HG   PRO  74          2HG       PRO  74 -21.309  -3.163   2.195
  574   1HD   PRO  74          1HD       PRO  74 -23.288  -4.816   1.372
  575   2HD   PRO  74          2HD       PRO  74 -22.192  -3.995   0.241
  576    H    ASN  75           H        ASN  75 -20.005  -8.619   0.629
  577    HA   ASN  75           HA       ASN  75 -20.962  -9.933   2.959
  578   1HB   ASN  75          1HB       ASN  75 -19.001 -10.629   0.757
  579   2HB   ASN  75          2HB       ASN  75 -19.461 -11.803   1.990
  580   1HD2  ASN  75          1HD2      ASN  75 -21.938 -12.123   2.223
  581   2HD2  ASN  75          2HD2      ASN  75 -22.866 -12.047   0.804
  582    H    ALA  76           H        ALA  76 -17.991  -8.227   2.424
  583    HA   ALA  76           HA       ALA  76 -16.982  -9.227   5.062
  584   1HB   ALA  76          1HB       ALA  76 -15.901 -10.063   2.814
  585   2HB   ALA  76          2HB       ALA  76 -14.841  -9.535   4.120
  586   3HB   ALA  76          3HB       ALA  76 -15.180  -8.454   2.768
  587    H    ARG  77           H        ARG  77 -16.082  -7.606   6.381
  588    HA   ARG  77           HA       ARG  77 -16.244  -4.813   5.295
  589   1HB   ARG  77          1HB       ARG  77 -17.717  -5.962   7.275
  590   2HB   ARG  77          2HB       ARG  77 -16.362  -5.345   8.220
  591   1HG   ARG  77          1HG       ARG  77 -16.700  -3.111   7.105
  592   2HG   ARG  77          2HG       ARG  77 -18.164  -3.761   6.367
  593   1HD   ARG  77          1HD       ARG  77 -19.234  -3.072   8.258
  594   2HD   ARG  77          2HD       ARG  77 -18.425  -4.424   9.074
  595    HE   ARG  77           HE       ARG  77 -16.482  -2.454   8.999
  596   1HH1  ARG  77          1HH1      ARG  77 -19.778  -2.594  10.112
  597   2HH1  ARG  77          2HH1      ARG  77 -19.527  -1.407  11.345
  598   1HH2  ARG  77          1HH2      ARG  77 -16.182  -0.917  10.606
  599   2HH2  ARG  77          2HH2      ARG  77 -17.507  -0.463  11.624
  600    H    HIS  78           H        HIS  78 -14.737  -3.278   6.482
  601    HA   HIS  78           HA       HIS  78 -12.105  -4.621   6.951
  602   1HB   HIS  78          1HB       HIS  78 -11.228  -2.356   6.336
  603   2HB   HIS  78          2HB       HIS  78 -12.256  -3.035   5.074
  604    HD1  HIS  78           HD1      HIS  78 -14.600  -1.963   4.726
  605    HD2  HIS  78           HD2      HIS  78 -12.331  -0.107   7.691
  606    HE1  HIS  78           HE1      HIS  78 -15.774   0.214   5.268
  607    H    GLU  79           H        GLU  79 -11.107  -4.370   8.930
  608    HA   GLU  79           HA       GLU  79 -12.373  -2.488  10.896
  609   1HB   GLU  79          1HB       GLU  79 -12.792  -4.995  11.146
  610   2HB   GLU  79          2HB       GLU  79 -11.065  -5.165  11.463
  611   1HG   GLU  79          1HG       GLU  79 -11.202  -3.765  13.405
  612   2HG   GLU  79          2HG       GLU  79 -12.857  -3.293  13.025
  613    H    LEU  80           H        LEU  80 -10.802  -1.894  12.688
  614    HA   LEU  80           HA       LEU  80  -7.981  -1.800  11.663
  615   1HB   LEU  80          1HB       LEU  80  -9.786   0.291  12.908
  616   2HB   LEU  80          2HB       LEU  80  -8.035   0.496  12.856
  617    HG   LEU  80           HG       LEU  80  -9.553  -0.211  10.354
  618   1HD1  LEU  80          1HD1      LEU  80  -9.656   2.311  11.870
  619   2HD1  LEU  80          2HD1      LEU  80 -10.700   1.737  10.569
  620   3HD1  LEU  80          3HD1      LEU  80  -9.160   2.509  10.189
  621   1HD2  LEU  80          1HD2      LEU  80  -7.570   0.218   9.337
  622   2HD2  LEU  80          2HD2      LEU  80  -6.876   0.085  10.953
  623   3HD2  LEU  80          3HD2      LEU  80  -7.293   1.669  10.300
  624    H    THR  81           H        THR  81  -6.349  -1.981  13.271
  625    HA   THR  81           HA       THR  81  -7.059  -3.437  15.673
  626    HB   THR  81           HB       THR  81  -4.600  -3.264  16.062
  627    HG1  THR  81           HG1      THR  81  -4.467  -1.760  13.685
  628   1HG2  THR  81          1HG2      THR  81  -3.924  -4.475  14.090
  629   2HG2  THR  81          2HG2      THR  81  -5.208  -3.739  13.132
  630   3HG2  THR  81          3HG2      THR  81  -5.608  -4.891  14.406
  631    H    ALA  82           H        ALA  82  -4.953  -0.576  15.686
  632    HA   ALA  82           HA       ALA  82  -6.750   1.032  17.319
  633   1HB   ALA  82          1HB       ALA  82  -4.721   0.678  19.171
  634   2HB   ALA  82          2HB       ALA  82  -4.898  -0.939  18.491
  635   3HB   ALA  82          3HB       ALA  82  -6.284  -0.135  19.226
  636    H    GLY  83           H        GLY  83  -6.136   2.795  16.007
  637   1HA   GLY  83          1HA       GLY  83  -4.604   4.761  16.232
  638   2HA   GLY  83          2HA       GLY  83  -3.267   3.612  16.233
  639    H    LEU  84           H        LEU  84  -5.948   3.038  14.089
  640    HA   LEU  84           HA       LEU  84  -6.018   2.978  11.725
  641   1HB   LEU  84          1HB       LEU  84  -4.561   5.531  12.452
  642   2HB   LEU  84          2HB       LEU  84  -4.951   5.144  10.777
  643    HG   LEU  84           HG       LEU  84  -6.961   5.298  13.042
  644   1HD1  LEU  84          1HD1      LEU  84  -5.881   7.283  11.135
  645   2HD1  LEU  84          2HD1      LEU  84  -6.682   7.533  12.686
  646   3HD1  LEU  84          3HD1      LEU  84  -7.641   7.233  11.237
  647   1HD2  LEU  84          1HD2      LEU  84  -8.219   5.482  10.543
  648   2HD2  LEU  84          2HD2      LEU  84  -8.244   4.092  11.629
  649   3HD2  LEU  84          3HD2      LEU  84  -7.031   4.192  10.353
  650    H    LYS  85           H        LYS  85  -3.822   1.494  12.992
  651    HA   LYS  85           HA       LYS  85  -1.568   1.943  11.087
  652   1HB   LYS  85          1HB       LYS  85  -1.959   0.665  13.784
  653   2HB   LYS  85          2HB       LYS  85  -0.569   0.199  12.803
  654   1HG   LYS  85          1HG       LYS  85  -0.185   2.759  12.537
  655   2HG   LYS  85          2HG       LYS  85  -1.258   2.910  13.928
  656   1HD   LYS  85          1HD       LYS  85   0.232   1.286  15.153
  657   2HD   LYS  85          2HD       LYS  85   1.352   1.376  13.793
  658   1HE   LYS  85          1HE       LYS  85   0.668   4.058  14.530
  659   2HE   LYS  85          2HE       LYS  85   1.137   3.183  16.001
  660   1HZ   LYS  85          1HZ       LYS  85   2.643   3.080  13.437
  661   2HZ   LYS  85          2HZ       LYS  85   3.115   2.408  14.924
  662   3HZ   LYS  85          3HZ       LYS  85   3.056   4.095  14.735
  663    H    ARG  86           H        ARG  86  -2.808  -1.028  12.652
  664    HA   ARG  86           HA       ARG  86  -2.316  -2.545  10.177
  665   1HB   ARG  86          1HB       ARG  86  -2.998  -3.048  13.046
  666   2HB   ARG  86          2HB       ARG  86  -3.415  -4.310  11.887
  667   1HG   ARG  86          1HG       ARG  86  -0.868  -3.637  11.098
  668   2HG   ARG  86          2HG       ARG  86  -0.768  -3.443  12.848
  669   1HD   ARG  86          1HD       ARG  86  -1.642  -5.729  13.167
  670   2HD   ARG  86          2HD       ARG  86  -1.783  -5.925  11.410
  671    HE   ARG  86           HE       ARG  86   0.872  -5.042  12.118
  672   1HH1  ARG  86          1HH1      ARG  86  -1.220  -7.825  12.132
  673   2HH1  ARG  86          2HH1      ARG  86   0.091  -8.948  12.033
  674   1HH2  ARG  86          1HH2      ARG  86   2.557  -6.521  11.991
  675   2HH2  ARG  86          2HH2      ARG  86   2.213  -8.218  11.954
  676    H    MET  87           H        MET  87  -4.219  -4.257   9.729
  677    HA   MET  87           HA       MET  87  -6.893  -2.972   9.943
  678   1HB   MET  87          1HB       MET  87  -5.125  -2.986   7.630
  679   2HB   MET  87          2HB       MET  87  -6.648  -3.794   7.259
  680   1HG   MET  87          1HG       MET  87  -7.849  -1.805   8.247
  681   2HG   MET  87          2HG       MET  87  -6.287  -0.995   8.367
  682   1HE   MET  87          1HE       MET  87  -8.589  -2.753   5.153
  683   2HE   MET  87          2HE       MET  87  -9.243  -1.121   5.299
  684   3HE   MET  87          3HE       MET  87  -9.104  -2.147   6.727
  685    H    ARG  88           H        ARG  88  -8.381  -4.536  10.368
  686    HA   ARG  88           HA       ARG  88  -7.713  -7.378   9.676
  687   1HB   ARG  88          1HB       ARG  88  -7.782  -6.926  12.056
  688   2HB   ARG  88          2HB       ARG  88  -9.322  -6.084  11.903
  689   1HG   ARG  88          1HG       ARG  88 -10.110  -8.403  10.892
  690   2HG   ARG  88          2HG       ARG  88  -8.736  -9.022  11.801
  691   1HD   ARG  88          1HD       ARG  88 -10.129  -7.197  13.501
  692   2HD   ARG  88          2HD       ARG  88 -11.323  -8.305  12.803
  693    HE   ARG  88           HE       ARG  88  -9.005  -9.803  13.553
  694   1HH1  ARG  88          1HH1      ARG  88 -11.652  -8.038  14.965
  695   2HH1  ARG  88          2HH1      ARG  88 -11.659  -8.989  16.410
  696   1HH2  ARG  88          1HH2      ARG  88  -9.034 -11.023  15.436
  697   2HH2  ARG  88          2HH2      ARG  88 -10.190 -10.667  16.677
  698    H    ILE  89           H        ILE  89  -8.820  -7.760   7.758
  699    HA   ILE  89           HA       ILE  89 -11.526  -6.638   7.354
  700    HB   ILE  89           HB       ILE  89  -9.672  -8.399   5.706
  701   1HG1  ILE  89          1HG1      ILE  89 -10.423  -5.585   5.018
  702   2HG1  ILE  89          2HG1      ILE  89  -9.239  -5.841   6.299
  703   1HG2  ILE  89          1HG2      ILE  89 -11.844  -8.873   4.890
  704   2HG2  ILE  89          2HG2      ILE  89 -11.259  -7.589   3.832
  705   3HG2  ILE  89          3HG2      ILE  89 -12.388  -7.213   5.134
  706   1HD1  ILE  89          1HD1      ILE  89  -8.969  -7.277   3.665
  707   2HD1  ILE  89          2HD1      ILE  89  -7.720  -6.903   4.853
  708   3HD1  ILE  89          3HD1      ILE  89  -8.388  -5.621   3.843
  709    H    PHE  90           H        PHE  90 -13.184  -7.744   8.325
  710    HA   PHE  90           HA       PHE  90 -12.947 -10.697   8.682
  711   1HB   PHE  90          1HB       PHE  90 -14.182  -8.394  10.052
  712   2HB   PHE  90          2HB       PHE  90 -15.236  -9.805   9.967
  713    HD1  PHE  90           HD1      PHE  90 -11.507  -9.642  10.199
  714    HD2  PHE  90           HD2      PHE  90 -15.183 -10.726  12.136
  715    HE1  PHE  90           HE1      PHE  90 -10.225 -10.704  12.040
  716    HE2  PHE  90           HE2      PHE  90 -13.902 -11.786  13.976
  717    HZ   PHE  90           HZ       PHE  90 -11.423 -11.773  13.927
  718    H    THR  91           H        THR  91 -15.258 -11.771   8.542
  719    HA   THR  91           HA       THR  91 -16.512 -10.891   5.963
  720    HB   THR  91           HB       THR  91 -17.158 -13.391   5.943
  721    HG1  THR  91           HG1      THR  91 -16.805 -14.080   7.944
  722   1HG2  THR  91          1HG2      THR  91 -15.326 -13.718   4.646
  723   2HG2  THR  91          2HG2      THR  91 -14.218 -13.393   5.979
  724   3HG2  THR  91          3HG2      THR  91 -14.910 -12.055   5.059
  725    H    ILE  92           H        ILE  92 -18.231  -9.616   6.776
  726    HA   ILE  92           HA       ILE  92 -19.753 -10.035   9.100
  727    HB   ILE  92           HB       ILE  92 -21.483  -8.722   7.832
  728   1HG1  ILE  92          1HG1      ILE  92 -19.675  -8.566   5.475
  729   2HG1  ILE  92          2HG1      ILE  92 -20.622 -10.044   5.641
  730   1HG2  ILE  92          1HG2      ILE  92 -20.201  -6.935   8.313
  731   2HG2  ILE  92          2HG2      ILE  92 -19.179  -7.257   6.912
  732   3HG2  ILE  92          3HG2      ILE  92 -18.812  -8.012   8.463
  733   1HD1  ILE  92          1HD1      ILE  92 -21.553  -7.232   5.213
  734   2HD1  ILE  92          2HD1      ILE  92 -22.585  -8.321   6.140
  735   3HD1  ILE  92          3HD1      ILE  92 -22.138  -8.727   4.483
  736    H    LYS  93           H        LYS  93 -19.801 -11.826   6.104
  737    HA   LYS  93           HA       LYS  93 -21.835 -13.654   7.271
  738   1HB   LYS  93          1HB       LYS  93 -22.032 -12.459   4.488
  739   2HB   LYS  93          2HB       LYS  93 -23.210 -13.514   5.261
  740   1HG   LYS  93          1HG       LYS  93 -23.477 -11.750   7.054
  741   2HG   LYS  93          2HG       LYS  93 -22.477 -10.686   6.066
  742   1HD   LYS  93          1HD       LYS  93 -24.145 -11.206   4.161
  743   2HD   LYS  93          2HD       LYS  93 -25.201 -11.823   5.432
  744   1HE   LYS  93          1HE       LYS  93 -24.609  -9.491   6.583
  745   2HE   LYS  93          2HE       LYS  93 -24.324  -9.008   4.900
  746   1HZ   LYS  93          1HZ       LYS  93 -26.730 -10.523   5.750
  747   2HZ   LYS  93          2HZ       LYS  93 -26.475  -9.709   4.281
  748   3HZ   LYS  93          3HZ       LYS  93 -26.698  -8.825   5.714
  749    HA   PRO  94           HA       PRO  94 -19.122 -16.718   5.648
  750   1HB   PRO  94          1HB       PRO  94 -21.568 -18.276   4.966
  751   2HB   PRO  94          2HB       PRO  94 -20.207 -18.723   6.011
  752   1HG   PRO  94          1HG       PRO  94 -22.612 -18.062   6.999
  753   2HG   PRO  94          2HG       PRO  94 -21.104 -17.686   7.844
  754   1HD   PRO  94          1HD       PRO  94 -22.925 -15.888   6.326
  755   2HD   PRO  94          2HD       PRO  94 -21.921 -15.543   7.752
  756    H    ILE  95           H        ILE  95 -18.210 -16.783   3.625
  757    HA   ILE  95           HA       ILE  95 -19.932 -16.047   1.296
  758    HB   ILE  95           HB       ILE  95 -16.933 -15.999   1.804
  759   1HG1  ILE  95          1HG1      ILE  95 -18.784 -13.660   1.332
  760   2HG1  ILE  95          2HG1      ILE  95 -18.537 -14.321   2.948
  761   1HG2  ILE  95          1HG2      ILE  95 -18.544 -15.075  -0.598
  762   2HG2  ILE  95          2HG2      ILE  95 -17.392 -16.410  -0.571
  763   3HG2  ILE  95          3HG2      ILE  95 -16.828 -14.754  -0.349
  764   1HD1  ILE  95          1HD1      ILE  95 -16.996 -12.413   2.397
  765   2HD1  ILE  95          2HD1      ILE  95 -16.291 -13.412   1.126
  766   3HD1  ILE  95          3HD1      ILE  95 -16.151 -13.904   2.814
  767    H    ALA  96           H        ALA  96 -19.879 -17.326  -0.605
  768    HA   ALA  96           HA       ALA  96 -19.075 -20.151  -0.176
  769   1HB   ALA  96          1HB       ALA  96 -21.344 -19.612  -0.938
  770   2HB   ALA  96          2HB       ALA  96 -20.485 -20.442  -2.235
  771   3HB   ALA  96          3HB       ALA  96 -20.694 -18.692  -2.296
  772    H    ILE  97           H        ILE  97 -18.067 -21.278  -2.108
  773    HA   ILE  97           HA       ILE  97 -15.654 -19.918  -2.935
  774    HB   ILE  97           HB       ILE  97 -17.010 -22.488  -3.836
  775   1HG1  ILE  97          1HG1      ILE  97 -14.724 -22.976  -2.252
  776   2HG1  ILE  97          2HG1      ILE  97 -15.626 -21.709  -1.420
  777   1HG2  ILE  97          1HG2      ILE  97 -15.361 -22.667  -5.356
  778   2HG2  ILE  97          2HG2      ILE  97 -14.177 -22.606  -4.050
  779   3HG2  ILE  97          3HG2      ILE  97 -14.694 -21.117  -4.842
  780   1HD1  ILE  97          1HD1      ILE  97 -16.860 -23.437  -0.597
  781   2HD1  ILE  97          2HD1      ILE  97 -16.331 -24.541  -1.867
  782   3HD1  ILE  97          3HD1      ILE  97 -17.643 -23.405  -2.177
  783    H    GLY  98           H        GLY  98 -15.477 -18.516  -4.630
  784   1HA   GLY  98          1HA       GLY  98 -15.693 -18.064  -7.019
  785   2HA   GLY  98          2HA       GLY  98 -17.221 -18.943  -7.008
  786    H    GLU  99           H        GLU  99 -16.156 -16.445  -4.711
  787    HA   GLU  99           HA       GLU  99 -18.415 -14.730  -5.699
  788   1HB   GLU  99          1HB       GLU  99 -17.500 -15.597  -2.964
  789   2HB   GLU  99          2HB       GLU  99 -18.351 -14.062  -3.143
  790   1HG   GLU  99          1HG       GLU  99 -19.417 -16.656  -4.278
  791   2HG   GLU  99          2HG       GLU  99 -19.817 -16.098  -2.654
  792    H    GLU 100           H        GLU 100 -17.950 -12.458  -4.269
  793    HA   GLU 100           HA       GLU 100 -15.096 -11.717  -4.787
  794   1HB   GLU 100          1HB       GLU 100 -16.659 -11.115  -6.679
  795   2HB   GLU 100          2HB       GLU 100 -17.557 -10.101  -5.549
  796   1HG   GLU 100          1HG       GLU 100 -15.174  -9.070  -5.059
  797   2HG   GLU 100          2HG       GLU 100 -14.791  -9.721  -6.652
  798    H    ILE 101           H        ILE 101 -14.264 -10.767  -2.967
  799    HA   ILE 101           HA       ILE 101 -16.100  -9.878  -0.829
  800    HB   ILE 101           HB       ILE 101 -13.083 -10.134  -1.078
  801   1HG1  ILE 101          1HG1      ILE 101 -15.078 -11.815   0.462
  802   2HG1  ILE 101          2HG1      ILE 101 -14.455 -12.243  -1.131
  803   1HG2  ILE 101          1HG2      ILE 101 -14.580  -8.639   0.797
  804   2HG2  ILE 101          2HG2      ILE 101 -12.874  -9.075   0.899
  805   3HG2  ILE 101          3HG2      ILE 101 -14.096 -10.118   1.628
  806   1HD1  ILE 101          1HD1      ILE 101 -12.776 -11.791   1.356
  807   2HD1  ILE 101          2HD1      ILE 101 -12.154 -12.221  -0.237
  808   3HD1  ILE 101          3HD1      ILE 101 -13.163 -13.361   0.653
  809    H    THR 102           H        THR 102 -16.409  -7.756  -0.261
  810    HA   THR 102           HA       THR 102 -14.655  -5.625  -1.323
  811    HB   THR 102           HB       THR 102 -16.663  -4.533  -2.382
  812    HG1  THR 102           HG1      THR 102 -18.233  -5.650  -1.176
  813   1HG2  THR 102          1HG2      THR 102 -16.559  -5.813  -4.376
  814   2HG2  THR 102          2HG2      THR 102 -16.290  -7.315  -3.493
  815   3HG2  THR 102          3HG2      THR 102 -15.010  -6.105  -3.584
  816    H    ILE 103           H        ILE 103 -15.995  -3.405  -0.660
  817    HA   ILE 103           HA       ILE 103 -17.321  -3.774   1.971
  818    HB   ILE 103           HB       ILE 103 -15.647  -2.318   3.059
  819   1HG1  ILE 103          1HG1      ILE 103 -13.509  -2.288   1.251
  820   2HG1  ILE 103          2HG1      ILE 103 -14.913  -1.837   0.284
  821   1HG2  ILE 103          1HG2      ILE 103 -15.318  -4.845   2.833
  822   2HG2  ILE 103          2HG2      ILE 103 -13.864  -3.906   3.175
  823   3HG2  ILE 103          3HG2      ILE 103 -14.178  -4.483   1.537
  824   1HD1  ILE 103          1HD1      ILE 103 -13.505  -0.070   1.802
  825   2HD1  ILE 103          2HD1      ILE 103 -14.746  -0.563   2.954
  826   3HD1  ILE 103          3HD1      ILE 103 -15.211   0.133   1.402
  827    H    SER 104           H        SER 104 -18.353  -1.761   2.711
  828    HA   SER 104           HA       SER 104 -19.106  -0.008   0.432
  829   1HB   SER 104          1HB       SER 104 -20.795  -1.159   1.878
  830   2HB   SER 104          2HB       SER 104 -20.179  -0.264   3.267
  831    HG   SER 104           HG       SER 104 -21.413   1.301   2.671
  832    H    TYR 105           H        TYR 105 -19.824   2.301   1.820
  833    HA   TYR 105           HA       TYR 105 -17.264   3.230   3.074
  834   1HB   TYR 105          1HB       TYR 105 -18.925   4.785   1.061
  835   2HB   TYR 105          2HB       TYR 105 -17.314   5.185   1.650
  836    HD1  TYR 105           HD1      TYR 105 -15.818   2.718   1.486
  837    HD2  TYR 105           HD2      TYR 105 -18.797   4.250  -1.201
  838    HE1  TYR 105           HE1      TYR 105 -14.830   1.395  -0.367
  839    HE2  TYR 105           HE2      TYR 105 -17.809   2.930  -3.052
  840    HH   TYR 105           HH       TYR 105 -14.785   1.177  -2.648
  841    H    GLY 106           H        GLY 106 -20.452   4.662   2.239
  842   1HA   GLY 106          1HA       GLY 106 -22.073   5.639   3.634
  843   2HA   GLY 106          2HA       GLY 106 -21.304   4.828   4.997
  844    H    ASP 107           H        ASP 107 -21.615   6.845   6.198
  845    HA   ASP 107           HA       ASP 107 -20.853   8.891   7.074
  846   1HB   ASP 107          1HB       ASP 107 -18.806   7.594   7.272
  847   2HB   ASP 107          2HB       ASP 107 -18.414   7.875   5.579
  848    H    ASP 108           H        ASP 108 -18.794   9.193   4.210
  849    HA   ASP 108           HA       ASP 108 -20.564  11.434   3.289
  850   1HB   ASP 108          1HB       ASP 108 -18.399  12.054   4.415
  851   2HB   ASP 108          2HB       ASP 108 -17.537  11.180   3.149
  852    H    TYR 109           H        TYR 109 -18.453   8.752   2.351
  853    HA   TYR 109           HA       TYR 109 -18.252   9.094  -0.418
  854   1HB   TYR 109          1HB       TYR 109 -18.230   6.919   1.559
  855   2HB   TYR 109          2HB       TYR 109 -18.717   6.378  -0.047
  856    HD1  TYR 109           HD1      TYR 109 -16.123   8.483   1.659
  857    HD2  TYR 109           HD2      TYR 109 -17.077   5.919  -1.653
  858    HE1  TYR 109           HE1      TYR 109 -13.759   8.564   0.915
  859    HE2  TYR 109           HE2      TYR 109 -14.713   6.000  -2.397
  860    HH   TYR 109           HH       TYR 109 -12.210   7.204  -0.432
  861    H    TRP 110           H        TRP 110 -20.124   9.982  -1.380
  862    HA   TRP 110           HA       TRP 110 -22.810   9.255  -1.030
  863   1HB   TRP 110          1HB       TRP 110 -23.037  10.161  -3.348
  864   2HB   TRP 110          2HB       TRP 110 -21.985  11.162  -2.347
  865    HD1  TRP 110           HD1      TRP 110 -19.548  11.484  -3.123
  866    HE1  TRP 110           HE1      TRP 110 -18.137  10.567  -5.079
  867    HE3  TRP 110           HE3      TRP 110 -22.732   7.928  -4.898
  868    HZ2  TRP 110           HZ2      TRP 110 -18.343   8.574  -7.131
  869    HZ3  TRP 110           HZ3      TRP 110 -22.114   6.536  -6.838
  870    HH2  TRP 110           HH2      TRP 110 -19.924   6.850  -7.966
  871    H    LEU 111           H        LEU 111 -24.146   7.661  -1.921
  872    HA   LEU 111           HA       LEU 111 -22.761   5.239  -2.928
  873   1HB   LEU 111          1HB       LEU 111 -24.497   5.348  -1.043
  874   2HB   LEU 111          2HB       LEU 111 -25.694   5.683  -2.294
  875    HG   LEU 111           HG       LEU 111 -24.897   3.567  -3.459
  876   1HD1  LEU 111          1HD1      LEU 111 -22.743   3.278  -2.413
  877   2HD1  LEU 111          2HD1      LEU 111 -23.757   1.929  -1.901
  878   3HD1  LEU 111          3HD1      LEU 111 -23.466   3.278  -0.804
  879   1HD2  LEU 111          1HD2      LEU 111 -25.953   2.097  -1.513
  880   2HD2  LEU 111          2HD2      LEU 111 -26.941   3.249  -2.411
  881   3HD2  LEU 111          3HD2      LEU 111 -26.310   3.680  -0.821
  882    H    SER 112           H        SER 112 -23.543   4.162  -4.881
  883    HA   SER 112           HA       SER 112 -23.984   5.898  -7.115
  884   1HB   SER 112          1HB       SER 112 -24.413   2.916  -6.700
  885   2HB   SER 112          2HB       SER 112 -24.347   3.703  -8.277
  886    HG   SER 112           HG       SER 112 -22.255   3.974  -8.083
  887    H    ARG 113           H        ARG 113 -26.019   4.655  -8.586
  888    HA   ARG 113           HA       ARG 113 -28.344   6.060  -7.911
  889   1HB   ARG 113          1HB       ARG 113 -27.445   4.149  -9.804
  890   2HB   ARG 113          2HB       ARG 113 -28.968   3.530  -9.165
  891   1HG   ARG 113          1HG       ARG 113 -29.880   4.921 -10.733
  892   2HG   ARG 113          2HG       ARG 113 -29.611   6.150  -9.497
  893   1HD   ARG 113          1HD       ARG 113 -27.142   6.012 -10.750
  894   2HD   ARG 113          2HD       ARG 113 -28.281   5.807 -12.094
  895    HE   ARG 113           HE       ARG 113 -27.984   8.207 -10.448
  896   1HH1  ARG 113          1HH1      ARG 113 -30.142   6.302 -12.405
  897   2HH1  ARG 113          2HH1      ARG 113 -31.168   7.644 -12.775
  898   1HH2  ARG 113          1HH2      ARG 113 -29.330   9.934 -10.943
  899   2HH2  ARG 113          2HH2      ARG 113 -30.714   9.686 -11.955
  900    HA   PRO 114           HA       PRO 114 -29.370   3.726  -4.172
  901   1HB   PRO 114          1HB       PRO 114 -31.785   5.460  -4.276
  902   2HB   PRO 114          2HB       PRO 114 -30.619   5.240  -2.960
  903   1HG   PRO 114          1HG       PRO 114 -30.701   7.472  -4.449
  904   2HG   PRO 114          2HG       PRO 114 -29.194   6.831  -3.783
  905   1HD   PRO 114          1HD       PRO 114 -30.219   6.745  -6.574
  906   2HD   PRO 114          2HD       PRO 114 -28.549   6.866  -5.982
  907    H    ARG 115           H        ARG 115 -29.874   1.753  -5.296
  908    HA   ARG 115           HA       ARG 115 -32.782   1.426  -5.902
  909   1HB   ARG 115          1HB       ARG 115 -30.368   0.838  -7.630
  910   2HB   ARG 115          2HB       ARG 115 -31.898   0.001  -7.892
  911   1HG   ARG 115          1HG       ARG 115 -33.048   2.109  -8.255
  912   2HG   ARG 115          2HG       ARG 115 -31.601   3.018  -7.823
  913   1HD   ARG 115          1HD       ARG 115 -31.665   2.983 -10.229
  914   2HD   ARG 115          2HD       ARG 115 -30.448   1.779  -9.769
  915    HE   ARG 115           HE       ARG 115 -32.854   0.374  -9.780
  916   1HH1  ARG 115          1HH1      ARG 115 -31.079   2.306 -12.069
  917   2HH1  ARG 115          2HH1      ARG 115 -31.678   1.432 -13.436
  918   1HH2  ARG 115          1HH2      ARG 115 -33.617  -0.744 -11.570
  919   2HH2  ARG 115          2HH2      ARG 115 -33.105  -0.281 -13.159
  920    H    LEU 116           H        LEU 116 -29.685  -0.380  -5.748
  921    HA   LEU 116           HA       LEU 116 -29.199  -2.500  -4.846
  922   1HB   LEU 116          1HB       LEU 116 -30.391  -0.734  -3.013
  923   2HB   LEU 116          2HB       LEU 116 -31.188  -2.278  -2.741
  924    HG   LEU 116           HG       LEU 116 -28.520  -2.984  -3.042
  925   1HD1  LEU 116          1HD1      LEU 116 -28.410  -0.806  -1.019
  926   2HD1  LEU 116          2HD1      LEU 116 -28.359  -0.309  -2.711
  927   3HD1  LEU 116          3HD1      LEU 116 -27.143  -1.421  -2.081
  928   1HD2  LEU 116          1HD2      LEU 116 -29.207  -4.088  -1.205
  929   2HD2  LEU 116          2HD2      LEU 116 -30.567  -2.982  -1.017
  930   3HD2  LEU 116          3HD2      LEU 116 -29.013  -2.602  -0.275
  931    H    THR 117           H        THR 117 -30.067  -3.907  -6.450
  932    HA   THR 117           HA       THR 117 -32.749  -4.532  -6.972
  933    HB   THR 117           HB       THR 117 -30.194  -6.168  -7.006
  934    HG1  THR 117           HG1      THR 117 -30.327  -4.390  -8.411
  935   1HG2  THR 117          1HG2      THR 117 -32.962  -6.855  -8.009
  936   2HG2  THR 117          2HG2      THR 117 -31.918  -7.817  -6.960
  937   3HG2  THR 117          3HG2      THR 117 -31.511  -7.613  -8.666
  938    H    GLN 118           H        GLN 118 -30.850  -7.045  -5.372
  939    HA   GLN 118           HA       GLN 118 -31.584  -8.698  -3.852
  940   1HB   GLN 118          1HB       GLN 118 -31.809  -7.681  -1.657
  941   2HB   GLN 118          2HB       GLN 118 -30.618  -6.772  -2.579
  942   1HG   GLN 118          1HG       GLN 118 -32.154  -4.998  -3.000
  943   2HG   GLN 118          2HG       GLN 118 -33.530  -5.964  -2.468
  944   1HE2  GLN 118          1HE2      GLN 118 -34.239  -5.068  -0.522
  945   2HE2  GLN 118          2HE2      GLN 118 -33.229  -4.628   0.768
  946    H    ASN 119           H        ASN 119 -33.627  -8.401  -1.826
  947    HA   ASN 119           HA       ASN 119 -36.118  -8.268  -3.485
  948   1HB   ASN 119          1HB       ASN 119 -35.292 -10.594  -3.237
  949   2HB   ASN 119          2HB       ASN 119 -35.277 -10.400  -1.484
  950   1HD2  ASN 119          1HD2      ASN 119 -37.397 -10.173  -0.391
  951   2HD2  ASN 119          2HD2      ASN 119 -38.819 -10.697  -1.157
  952   1H    GLY 201          1H        GLY 201 -20.234  41.349  -5.942
  953   2H    GLY 201          2H        GLY 201 -21.082  42.388  -4.901
  954   3H    GLY 201          3H        GLY 201 -21.733  41.988  -6.418
  955   1HA   GLY 201          1HA       GLY 201 -21.221  39.999  -4.279
  956   2HA   GLY 201          2HA       GLY 201 -22.778  40.793  -4.522
  957    H    LYS 202           H        LYS 202 -21.319  37.974  -5.125
  958    HA   LYS 202           HA       LYS 202 -22.983  37.484  -7.545
  959   1HB   LYS 202          1HB       LYS 202 -20.482  38.143  -7.971
  960   2HB   LYS 202          2HB       LYS 202 -20.126  36.519  -7.384
  961   1HG   LYS 202          1HG       LYS 202 -21.139  35.494  -9.196
  962   2HG   LYS 202          2HG       LYS 202 -22.261  36.830  -9.457
  963   1HD   LYS 202          1HD       LYS 202 -20.160  38.202 -10.099
  964   2HD   LYS 202          2HD       LYS 202 -19.351  36.640 -10.235
  965   1HE   LYS 202          1HE       LYS 202 -20.284  36.322 -12.275
  966   2HE   LYS 202          2HE       LYS 202 -21.906  36.515 -11.582
  967   1HZ   LYS 202          1HZ       LYS 202 -20.096  38.806 -12.118
  968   2HZ   LYS 202          2HZ       LYS 202 -21.757  38.852 -11.766
  969   3HZ   LYS 202          3HZ       LYS 202 -21.222  38.252 -13.262
  970    H    ALA 203           H        ALA 203 -23.572  36.616  -4.945
  971    HA   ALA 203           HA       ALA 203 -23.649  33.728  -5.310
  972   1HB   ALA 203          1HB       ALA 203 -21.285  34.544  -4.410
  973   2HB   ALA 203          2HB       ALA 203 -22.036  33.097  -3.736
  974   3HB   ALA 203          3HB       ALA 203 -22.140  34.629  -2.870
  975    HA   PRO 204           HA       PRO 204 -26.836  35.788  -2.573
  976   1HB   PRO 204          1HB       PRO 204 -28.994  34.679  -3.920
  977   2HB   PRO 204          2HB       PRO 204 -28.314  36.277  -4.276
  978   1HG   PRO 204          1HG       PRO 204 -27.917  33.685  -5.679
  979   2HG   PRO 204          2HG       PRO 204 -28.035  35.321  -6.342
  980   1HD   PRO 204          1HD       PRO 204 -25.681  33.989  -6.059
  981   2HD   PRO 204          2HD       PRO 204 -25.811  35.759  -5.986
  982    H    ARG 205           H        ARG 205 -27.030  32.536  -4.073
  983    HA   ARG 205           HA       ARG 205 -27.263  31.369  -1.338
  984   1HB   ARG 205          1HB       ARG 205 -29.203  30.035  -2.130
  985   2HB   ARG 205          2HB       ARG 205 -29.537  31.762  -2.248
  986   1HG   ARG 205          1HG       ARG 205 -28.255  30.890  -4.669
  987   2HG   ARG 205          2HG       ARG 205 -29.623  29.830  -4.331
  988   1HD   ARG 205          1HD       ARG 205 -30.329  32.605  -3.813
  989   2HD   ARG 205          2HD       ARG 205 -29.760  32.388  -5.480
  990    HE   ARG 205           HE       ARG 205 -32.187  31.238  -4.343
  991   1HH1  ARG 205          1HH1      ARG 205 -29.625  30.791  -6.659
  992   2HH1  ARG 205          2HH1      ARG 205 -30.574  29.760  -7.672
  993   1HH2  ARG 205          1HH2      ARG 205 -33.397  29.897  -5.676
  994   2HH2  ARG 205          2HH2      ARG 205 -32.693  29.256  -7.122
  995    H    LYS 206           H        LYS 206 -24.921  31.186  -2.688
  996    HA   LYS 206           HA       LYS 206 -24.956  28.406  -3.818
  997   1HB   LYS 206          1HB       LYS 206 -23.590  30.958  -4.674
  998   2HB   LYS 206          2HB       LYS 206 -22.906  29.396  -5.122
  999   1HG   LYS 206          1HG       LYS 206 -25.423  28.906  -5.846
 1000   2HG   LYS 206          2HG       LYS 206 -25.474  30.663  -5.986
 1001   1HD   LYS 206          1HD       LYS 206 -23.331  28.947  -7.268
 1002   2HD   LYS 206          2HD       LYS 206 -24.794  29.464  -8.107
 1003   1HE   LYS 206          1HE       LYS 206 -24.056  31.631  -8.309
 1004   2HE   LYS 206          2HE       LYS 206 -23.265  31.611  -6.721
 1005   1HZ   LYS 206          1HZ       LYS 206 -21.512  30.269  -7.586
 1006   2HZ   LYS 206          2HZ       LYS 206 -21.697  31.580  -8.650
 1007   3HZ   LYS 206          3HZ       LYS 206 -22.313  30.053  -9.068
 1008    H    GLN 207           H        GLN 207 -22.964  27.189  -3.403
 1009    HA   GLN 207           HA       GLN 207 -20.982  28.301  -1.531
 1010   1HB   GLN 207          1HB       GLN 207 -23.340  27.228  -0.540
 1011   2HB   GLN 207          2HB       GLN 207 -22.233  25.858  -0.461
 1012   1HG   GLN 207          1HG       GLN 207 -21.470  26.766   1.465
 1013   2HG   GLN 207          2HG       GLN 207 -20.695  27.985   0.454
 1014   1HE2  GLN 207          1HE2      GLN 207 -21.252  30.085   1.040
 1015   2HE2  GLN 207          2HE2      GLN 207 -22.719  30.544   1.758
 1016    H    LEU 208           H        LEU 208 -19.255  26.655  -1.078
 1017    HA   LEU 208           HA       LEU 208 -19.151  24.554  -3.221
 1018   1HB   LEU 208          1HB       LEU 208 -17.519  26.834  -2.656
 1019   2HB   LEU 208          2HB       LEU 208 -16.556  25.398  -2.310
 1020    HG   LEU 208           HG       LEU 208 -18.097  25.865  -4.881
 1021   1HD1  LEU 208          1HD1      LEU 208 -15.245  26.362  -4.068
 1022   2HD1  LEU 208          2HD1      LEU 208 -16.316  27.376  -5.034
 1023   3HD1  LEU 208          3HD1      LEU 208 -15.614  25.918  -5.734
 1024   1HD2  LEU 208          1HD2      LEU 208 -17.838  23.626  -5.070
 1025   2HD2  LEU 208          2HD2      LEU 208 -16.761  23.561  -3.675
 1026   3HD2  LEU 208          3HD2      LEU 208 -16.115  23.950  -5.269
 1027    H    ALA 209           H        ALA 209 -19.554  22.670  -2.070
 1028    HA   ALA 209           HA       ALA 209 -17.555  21.759  -0.152
 1029   1HB   ALA 209          1HB       ALA 209 -18.595  22.681   1.650
 1030   2HB   ALA 209          2HB       ALA 209 -19.883  21.505   1.385
 1031   3HB   ALA 209          3HB       ALA 209 -20.006  23.121   0.688
 1032    H    THR 210           H        THR 210 -17.588  20.083  -1.872
 1033    HA   THR 210           HA       THR 210 -19.966  18.263  -1.688
 1034    HB   THR 210           HB       THR 210 -17.880  18.343  -3.880
 1035    HG1  THR 210           HG1      THR 210 -20.301  19.808  -3.816
 1036   1HG2  THR 210          1HG2      THR 210 -19.336  17.011  -5.040
 1037   2HG2  THR 210          2HG2      THR 210 -20.759  17.811  -4.374
 1038   3HG2  THR 210          3HG2      THR 210 -19.903  16.598  -3.422
 1039    H    LYS 211           H        LYS 211 -16.500  18.546  -1.314
 1040    HA   LYS 211           HA       LYS 211 -16.398  15.645  -0.552
 1041   1HB   LYS 211          1HB       LYS 211 -15.021  17.146  -2.588
 1042   2HB   LYS 211          2HB       LYS 211 -13.842  16.600  -1.395
 1043   1HG   LYS 211          1HG       LYS 211 -14.056  14.435  -2.027
 1044   2HG   LYS 211          2HG       LYS 211 -15.816  14.541  -2.075
 1045   1HD   LYS 211          1HD       LYS 211 -14.026  15.712  -4.220
 1046   2HD   LYS 211          2HD       LYS 211 -14.718  14.092  -4.317
 1047   1HE   LYS 211          1HE       LYS 211 -16.748  16.068  -3.616
 1048   2HE   LYS 211          2HE       LYS 211 -15.962  16.452  -5.160
 1049   1HZ   LYS 211          1HZ       LYS 211 -17.715  14.880  -5.568
 1050   2HZ   LYS 211          2HZ       LYS 211 -17.145  13.844  -4.349
 1051   3HZ   LYS 211          3HZ       LYS 211 -16.232  14.075  -5.762
 1052    H    ALA 212           H        ALA 212 -16.226  15.702   1.668
 1053    HA   ALA 212           HA       ALA 212 -14.152  17.526   2.838
 1054   1HB   ALA 212          1HB       ALA 212 -17.033  17.028   3.493
 1055   2HB   ALA 212          2HB       ALA 212 -16.118  18.535   3.560
 1056   3HB   ALA 212          3HB       ALA 212 -15.934  17.334   4.838
 1057    H    ALA 213           H        ALA 213 -16.263  14.807   3.862
 1058    HA   ALA 213           HA       ALA 213 -14.031  13.676   5.441
 1059   1HB   ALA 213          1HB       ALA 213 -16.357  12.031   5.434
 1060   2HB   ALA 213          2HB       ALA 213 -16.917  13.703   5.434
 1061   3HB   ALA 213          3HB       ALA 213 -15.834  13.136   6.705
 1062    H    ARG 214           H        ARG 214 -14.147  11.058   5.277
 1063    HA   ARG 214           HA       ARG 214 -14.094  10.314   2.374
 1064   1HB   ARG 214          1HB       ARG 214 -12.065   9.600   4.527
 1065   2HB   ARG 214          2HB       ARG 214 -11.963   9.165   2.821
 1066   1HG   ARG 214          1HG       ARG 214 -12.309  11.880   2.668
 1067   2HG   ARG 214          2HG       ARG 214 -11.357  11.730   4.145
 1068   1HD   ARG 214          1HD       ARG 214  -9.528  10.796   3.023
 1069   2HD   ARG 214          2HD       ARG 214 -10.531  10.182   1.696
 1070    HE   ARG 214           HE       ARG 214 -10.372  12.313   0.676
 1071   1HH1  ARG 214          1HH1      ARG 214  -9.518  12.487   4.046
 1072   2HH1  ARG 214          2HH1      ARG 214  -9.029  14.143   3.950
 1073   1HH2  ARG 214          1HH2      ARG 214  -9.732  14.462   0.576
 1074   2HH2  ARG 214          2HH2      ARG 214  -9.148  15.255   2.001
 1075   1HN   MLZ 215          1HN       MLZ 215 -13.083   7.628   3.145
 1076    HA   MLZ 215           HA       MLZ 215 -15.561   6.261   3.500
 1077   1HB   MLZ 215          1HB       MLZ 215 -12.626   5.593   3.722
 1078   2HB   MLZ 215          2HB       MLZ 215 -13.839   4.368   4.098
 1079   1HG   MLZ 215          1HG       MLZ 215 -13.789   5.942   1.508
 1080   2HG   MLZ 215          2HG       MLZ 215 -14.802   4.549   1.888
 1081   1HD   MLZ 215          1HD       MLZ 215 -11.791   4.594   1.549
 1082   2HD   MLZ 215          2HD       MLZ 215 -12.672   3.212   2.203
 1083   1HE   MLZ 215          1HE       MLZ 215 -13.830   4.236  -0.302
 1084   2HE   MLZ 215          2HE       MLZ 215 -13.382   2.577   0.136
 1085    HZ   MLZ 215           HZ       MLZ 215 -11.089   3.078  -0.255
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -11.940   2.418  -2.260
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -11.307   4.008  -2.669
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -13.024   3.802  -2.342
 1089    H    SER 216           H        SER 216 -16.739   5.972   5.347
 1090    HA   SER 216           HA       SER 216 -17.268   5.786   7.641
 1091   1HB   SER 216          1HB       SER 216 -15.075   7.422   8.607
 1092   2HB   SER 216          2HB       SER 216 -15.722   8.101   7.113
 1093    HG   SER 216           HG       SER 216 -16.843   8.838   8.969
 1094    H    ALA 217           H        ALA 217 -15.952   5.478   9.915
 1095    HA   ALA 217           HA       ALA 217 -14.013   3.260   9.377
 1096   1HB   ALA 217          1HB       ALA 217 -13.751   5.787  10.946
 1097   2HB   ALA 217          2HB       ALA 217 -12.518   4.888  10.061
 1098   3HB   ALA 217          3HB       ALA 217 -13.034   4.341  11.656
 1099    HA   PRO 218           HA       PRO 218 -16.148   0.852  12.352
 1100   1HB   PRO 218          1HB       PRO 218 -13.737   0.608  14.075
 1101   2HB   PRO 218          2HB       PRO 218 -14.664  -0.662  13.257
 1102   1HG   PRO 218          1HG       PRO 218 -12.230   0.113  12.423
 1103   2HG   PRO 218          2HG       PRO 218 -13.485  -0.446  11.308
 1104   1HD   PRO 218          1HD       PRO 218 -12.513   2.316  11.836
 1105   2HD   PRO 218          2HD       PRO 218 -13.118   1.593  10.330
 1106    H    ALA 219           H        ALA 219 -14.142   3.464  13.617
 1107    HA   ALA 219           HA       ALA 219 -14.466   4.911  15.458
 1108   1HB   ALA 219          1HB       ALA 219 -16.524   5.216  14.019
 1109   2HB   ALA 219          2HB       ALA 219 -16.805   5.550  15.727
 1110   3HB   ALA 219          3HB       ALA 219 -17.342   4.023  15.028
 1111    H    THR 220           H        THR 220 -13.399   3.531  17.028
 1112    HA   THR 220           HA       THR 220 -14.472   1.309  18.376
 1113    HB   THR 220           HB       THR 220 -12.941   2.239  20.259
 1114    HG1  THR 220           HG1      THR 220 -11.768   4.031  19.704
 1115   1HG2  THR 220          1HG2      THR 220 -12.242   1.483  17.469
 1116   2HG2  THR 220          2HG2      THR 220 -11.788   0.714  18.990
 1117   3HG2  THR 220          3HG2      THR 220 -10.940   2.161  18.445
 1118    H    GLY 221           H        GLY 221 -14.981   1.521  20.907
 1119   1HA   GLY 221          1HA       GLY 221 -17.468   3.046  21.085
 1120   2HA   GLY 221          2HA       GLY 221 -16.807   1.994  22.337
 1121   1H    MET   1          1H        MET   1   0.390 -13.439   5.646
 1122   2H    MET   1          2H        MET   1  -0.158 -12.225   6.699
 1123   3H    MET   1          3H        MET   1   0.748 -13.528   7.304
 1124    HA   MET   1           HA       MET   1   1.683 -11.266   5.632
 1125   1HB   MET   1          1HB       MET   1   2.560 -12.514   8.263
 1126   2HB   MET   1          2HB       MET   1   3.186 -11.021   7.566
 1127   1HG   MET   1          1HG       MET   1   0.320 -11.504   8.435
 1128   2HG   MET   1          2HG       MET   1   1.506 -10.528   9.297
 1129   1HE   MET   1          1HE       MET   1   1.903  -7.347   7.523
 1130   2HE   MET   1          2HE       MET   1   3.027  -8.692   7.330
 1131   3HE   MET   1          3HE       MET   1   2.237  -8.419   8.883
 1132    H    PHE   2           H        PHE   2   1.875 -14.665   5.893
 1133    HA   PHE   2           HA       PHE   2   4.491 -14.619   4.450
 1134   1HB   PHE   2          1HB       PHE   2   5.096 -16.656   5.764
 1135   2HB   PHE   2          2HB       PHE   2   4.832 -15.259   6.805
 1136    HD1  PHE   2           HD1      PHE   2   3.775 -18.615   5.987
 1137    HD2  PHE   2           HD2      PHE   2   2.578 -14.987   7.950
 1138    HE1  PHE   2           HE1      PHE   2   2.025 -19.862   7.224
 1139    HE2  PHE   2           HE2      PHE   2   0.828 -16.234   9.188
 1140    HZ   PHE   2           HZ       PHE   2   0.551 -18.672   8.824
 1141    H    ASN   3           H        ASN   3   3.871 -15.240   2.410
 1142    HA   ASN   3           HA       ASN   3   2.551 -17.867   2.100
 1143   1HB   ASN   3          1HB       ASN   3   0.734 -16.869   0.731
 1144   2HB   ASN   3          2HB       ASN   3   0.719 -16.219   2.369
 1145   1HD2  ASN   3          1HD2      ASN   3   1.240 -13.970   2.656
 1146   2HD2  ASN   3          2HD2      ASN   3   1.483 -12.915   1.349
 1147    H    ASP   4           H        ASP   4   2.068 -17.975  -0.506
 1148    HA   ASP   4           HA       ASP   4   3.086 -18.204  -2.613
 1149   1HB   ASP   4          1HB       ASP   4   3.846 -15.477  -1.583
 1150   2HB   ASP   4          2HB       ASP   4   4.445 -16.021  -3.150
 1151    H    ARG   5           H        ARG   5   5.801 -16.335  -1.323
 1152    HA   ARG   5           HA       ARG   5   7.444 -18.784  -0.996
 1153   1HB   ARG   5          1HB       ARG   5   7.673 -16.713  -3.190
 1154   2HB   ARG   5          2HB       ARG   5   9.066 -17.680  -2.709
 1155   1HG   ARG   5          1HG       ARG   5   7.227 -19.643  -2.961
 1156   2HG   ARG   5          2HG       ARG   5   6.591 -18.498  -4.140
 1157   1HD   ARG   5          1HD       ARG   5   9.481 -18.717  -4.385
 1158   2HD   ARG   5          2HD       ARG   5   8.703 -20.301  -4.560
 1159    HE   ARG   5           HE       ARG   5   8.396 -18.033  -6.376
 1160   1HH1  ARG   5          1HH1      ARG   5   6.886 -20.878  -5.056
 1161   2HH1  ARG   5          2HH1      ARG   5   5.834 -21.084  -6.413
 1162   1HH2  ARG   5          1HH2      ARG   5   7.021 -18.321  -8.126
 1163   2HH2  ARG   5          2HH2      ARG   5   5.908 -19.648  -8.139
 1164    H    VAL   6           H        VAL   6   6.582 -16.071   0.419
 1165    HA   VAL   6           HA       VAL   6   9.252 -15.626   1.624
 1166    HB   VAL   6           HB       VAL   6   7.597 -13.509   0.200
 1167   1HG1  VAL   6          1HG1      VAL   6   9.813 -12.188   0.786
 1168   2HG1  VAL   6          2HG1      VAL   6   9.909 -13.357   2.102
 1169   3HG1  VAL   6          3HG1      VAL   6   8.505 -12.298   1.964
 1170   1HG2  VAL   6          1HG2      VAL   6   8.841 -14.746  -1.415
 1171   2HG2  VAL   6          2HG2      VAL   6  10.255 -14.835  -0.365
 1172   3HG2  VAL   6          3HG2      VAL   6   9.798 -13.298  -1.100
 1173    H    ILE   7           H        ILE   7   9.101 -14.306   3.601
 1174    HA   ILE   7           HA       ILE   7   6.336 -14.235   4.759
 1175    HB   ILE   7           HB       ILE   7   7.695 -16.068   5.656
 1176   1HG1  ILE   7          1HG1      ILE   7   8.009 -14.169   7.895
 1177   2HG1  ILE   7          2HG1      ILE   7   6.408 -14.173   7.158
 1178   1HG2  ILE   7          1HG2      ILE   7   9.743 -14.752   7.065
 1179   2HG2  ILE   7          2HG2      ILE   7   9.772 -14.054   5.445
 1180   3HG2  ILE   7          3HG2      ILE   7   9.934 -15.797   5.658
 1181   1HD1  ILE   7          1HD1      ILE   7   7.620 -16.153   8.891
 1182   2HD1  ILE   7          2HD1      ILE   7   7.149 -16.883   7.356
 1183   3HD1  ILE   7          3HD1      ILE   7   5.950 -16.039   8.336
 1184    H    VAL   8           H        VAL   8   5.959 -12.491   6.282
 1185    HA   VAL   8           HA       VAL   8   7.736 -10.144   5.800
 1186    HB   VAL   8           HB       VAL   8   4.892 -10.478   6.816
 1187   1HG1  VAL   8          1HG1      VAL   8   5.635  -8.486   7.843
 1188   2HG1  VAL   8          2HG1      VAL   8   4.891  -7.923   6.345
 1189   3HG1  VAL   8          3HG1      VAL   8   6.646  -8.050   6.466
 1190   1HG2  VAL   8          1HG2      VAL   8   6.044 -10.424   4.206
 1191   2HG2  VAL   8          2HG2      VAL   8   5.150  -8.920   4.429
 1192   3HG2  VAL   8          3HG2      VAL   8   4.334 -10.469   4.637
 1193    H    LYS   9           H        LYS   9   8.723  -9.076   7.495
 1194    HA   LYS   9           HA       LYS   9   8.068  -9.834  10.282
 1195   1HB   LYS   9          1HB       LYS   9  10.694 -10.208   8.837
 1196   2HB   LYS   9          2HB       LYS   9  10.601 -10.169  10.598
 1197   1HG   LYS   9          1HG       LYS   9   8.670 -11.927  10.235
 1198   2HG   LYS   9          2HG       LYS   9   9.462 -12.182   8.683
 1199   1HD   LYS   9          1HD       LYS   9  11.600 -12.613   9.872
 1200   2HD   LYS   9          2HD       LYS   9  10.767 -12.410  11.410
 1201   1HE   LYS   9          1HE       LYS   9   9.299 -14.311  10.904
 1202   2HE   LYS   9          2HE       LYS   9  10.057 -14.489   9.311
 1203   1HZ   LYS   9          1HZ       LYS   9  11.457 -14.635  11.935
 1204   2HZ   LYS   9          2HZ       LYS   9  12.198 -14.779  10.414
 1205   3HZ   LYS   9          3HZ       LYS   9  11.097 -15.961  10.937
 1206    H    LYS  10           H        LYS  10   9.188  -6.504  11.135
 1207    HA   LYS  10           HA       LYS  10   8.468  -7.548  13.074
 1208   1HB   LYS  10          1HB       LYS  10   6.360  -7.556  12.113
 1209   2HB   LYS  10          2HB       LYS  10   6.818  -8.641  10.816
 1210   1HG   LYS  10          1HG       LYS  10   5.295  -9.682  12.510
 1211   2HG   LYS  10          2HG       LYS  10   6.822 -10.534  12.347
 1212   1HD   LYS  10          1HD       LYS  10   6.251 -10.252  14.723
 1213   2HD   LYS  10          2HD       LYS  10   7.693  -9.317  14.333
 1214   1HE   LYS  10          1HE       LYS  10   6.634  -7.314  14.688
 1215   2HE   LYS  10          2HE       LYS  10   5.114  -7.884  13.974
 1216   1HZ   LYS  10          1HZ       LYS  10   4.817  -9.307  15.944
 1217   2HZ   LYS  10          2HZ       LYS  10   4.853  -7.660  16.354
 1218   3HZ   LYS  10          3HZ       LYS  10   6.214  -8.635  16.636
 1219    H    SER  11           H        SER  11  10.633  -8.395  13.417
 1220    HA   SER  11           HA       SER  11  10.809 -11.364  13.025
 1221   1HB   SER  11          1HB       SER  11  13.255  -9.684  13.371
 1222   2HB   SER  11          2HB       SER  11  12.995 -11.071  12.316
 1223    HG   SER  11           HG       SER  11  13.176  -9.041  11.206
 1224    HA   PRO  12           HA       PRO  12  11.796 -12.127  17.238
 1225   1HB   PRO  12          1HB       PRO  12  14.746 -12.247  16.822
 1226   2HB   PRO  12          2HB       PRO  12  13.657 -13.471  17.500
 1227   1HG   PRO  12          1HG       PRO  12  14.707 -13.683  15.037
 1228   2HG   PRO  12          2HG       PRO  12  13.100 -14.301  15.442
 1229   1HD   PRO  12          1HD       PRO  12  13.864 -11.900  13.875
 1230   2HD   PRO  12          2HD       PRO  12  12.429 -12.937  13.736
 1231    H    LEU  13           H        LEU  13  14.620 -10.214  16.099
 1232    HA   LEU  13           HA       LEU  13  14.685  -8.620  18.538
 1233   1HB   LEU  13          1HB       LEU  13  16.179  -9.000  16.031
 1234   2HB   LEU  13          2HB       LEU  13  16.178  -7.326  16.584
 1235    HG   LEU  13           HG       LEU  13  18.081  -8.584  17.543
 1236   1HD1  LEU  13          1HD1      LEU  13  16.448  -6.858  18.841
 1237   2HD1  LEU  13          2HD1      LEU  13  17.887  -7.559  19.584
 1238   3HD1  LEU  13          3HD1      LEU  13  16.300  -8.261  19.900
 1239   1HD2  LEU  13          1HD2      LEU  13  17.084 -10.816  17.562
 1240   2HD2  LEU  13          2HD2      LEU  13  15.882 -10.296  18.742
 1241   3HD2  LEU  13          3HD2      LEU  13  17.583 -10.384  19.197
 1242    H    GLY  14           H        GLY  14  13.312  -8.253  15.306
 1243   1HA   GLY  14          1HA       GLY  14  11.232  -6.696  15.484
 1244   2HA   GLY  14          2HA       GLY  14  12.412  -5.500  16.022
 1245    H    GLY  15           H        GLY  15  12.387  -4.092  14.275
 1246   1HA   GLY  15          1HA       GLY  15  13.013  -3.321  12.144
 1247   2HA   GLY  15          2HA       GLY  15  13.812  -4.873  11.890
 1248    H    TYR  16           H        TYR  16  11.968  -3.239  10.127
 1249    HA   TYR  16           HA       TYR  16   9.853  -5.325   9.703
 1250   1HB   TYR  16          1HB       TYR  16   9.926  -2.373   9.749
 1251   2HB   TYR  16          2HB       TYR  16   9.032  -3.047   8.387
 1252    HD1  TYR  16           HD1      TYR  16   8.419  -1.711  11.409
 1253    HD2  TYR  16           HD2      TYR  16   7.810  -5.450   9.383
 1254    HE1  TYR  16           HE1      TYR  16   6.511  -2.214  12.912
 1255    HE2  TYR  16           HE2      TYR  16   5.902  -5.953  10.886
 1256    HH   TYR  16           HH       TYR  16   4.252  -3.928  12.502
 1257    H    GLY  17           H        GLY  17  11.425  -6.513   8.342
 1258   1HA   GLY  17          1HA       GLY  17  11.640  -5.304   5.618
 1259   2HA   GLY  17          2HA       GLY  17  13.022  -6.138   6.331
 1260    H    VAL  18           H        VAL  18  12.587  -7.464   4.216
 1261    HA   VAL  18           HA       VAL  18  10.351  -9.399   4.559
 1262    HB   VAL  18           HB       VAL  18  12.375  -8.871   2.353
 1263   1HG1  VAL  18          1HG1      VAL  18  10.680 -10.296   1.024
 1264   2HG1  VAL  18          2HG1      VAL  18  10.100 -10.847   2.595
 1265   3HG1  VAL  18          3HG1      VAL  18  11.768 -11.157   2.113
 1266   1HG2  VAL  18          1HG2      VAL  18  10.156  -8.163   1.207
 1267   2HG2  VAL  18          2HG2      VAL  18  10.869  -7.062   2.386
 1268   3HG2  VAL  18          3HG2      VAL  18   9.509  -8.086   2.846
 1269    H    PHE  19           H        PHE  19  10.724 -11.652   4.701
 1270    HA   PHE  19           HA       PHE  19  13.523 -12.445   5.431
 1271   1HB   PHE  19          1HB       PHE  19  10.850 -12.873   6.597
 1272   2HB   PHE  19          2HB       PHE  19  11.795 -14.356   6.453
 1273    HD1  PHE  19           HD1      PHE  19  12.279 -10.767   7.461
 1274    HD2  PHE  19           HD2      PHE  19  13.231 -14.890   8.203
 1275    HE1  PHE  19           HE1      PHE  19  13.626 -10.101   9.434
 1276    HE2  PHE  19           HE2      PHE  19  14.579 -14.224  10.175
 1277    HZ   PHE  19           HZ       PHE  19  14.776 -11.829  10.791
 1278    H    ALA  20           H        ALA  20  14.422 -13.764   3.902
 1279    HA   ALA  20           HA       ALA  20  12.701 -14.986   1.844
 1280   1HB   ALA  20          1HB       ALA  20  15.243 -13.839   1.997
 1281   2HB   ALA  20          2HB       ALA  20  14.585 -14.698   0.605
 1282   3HB   ALA  20          3HB       ALA  20  15.574 -15.558   1.785
 1283    H    ARG  21           H        ARG  21  11.680 -16.680   3.150
 1284    HA   ARG  21           HA       ARG  21  13.103 -18.672   4.639
 1285   1HB   ARG  21          1HB       ARG  21  10.461 -18.053   3.797
 1286   2HB   ARG  21          2HB       ARG  21  10.781 -19.696   3.245
 1287   1HG   ARG  21          1HG       ARG  21  10.984 -20.523   5.383
 1288   2HG   ARG  21          2HG       ARG  21  11.637 -19.012   6.017
 1289   1HD   ARG  21          1HD       ARG  21   9.576 -18.380   6.717
 1290   2HD   ARG  21          2HD       ARG  21   8.918 -18.608   5.086
 1291    HE   ARG  21           HE       ARG  21   8.816 -20.556   7.268
 1292   1HH1  ARG  21          1HH1      ARG  21   8.858 -20.086   3.819
 1293   2HH1  ARG  21          2HH1      ARG  21   8.076 -21.594   3.493
 1294   1HH2  ARG  21          1HH2      ARG  21   7.801 -22.508   6.819
 1295   2HH2  ARG  21          2HH2      ARG  21   7.481 -22.956   5.177
 1296    H    LYS  22           H        LYS  22  12.639 -18.128   1.226
 1297    HA   LYS  22           HA       LYS  22  13.583 -20.822   0.447
 1298   1HB   LYS  22          1HB       LYS  22  12.946 -18.321  -1.176
 1299   2HB   LYS  22          2HB       LYS  22  13.051 -19.964  -1.797
 1300   1HG   LYS  22          1HG       LYS  22  11.220 -20.365   0.133
 1301   2HG   LYS  22          2HG       LYS  22  10.874 -18.677  -0.244
 1302   1HD   LYS  22          1HD       LYS  22  10.304 -19.154  -2.463
 1303   2HD   LYS  22          2HD       LYS  22  11.205 -20.669  -2.472
 1304   1HE   LYS  22          1HE       LYS  22   8.810 -20.308  -0.662
 1305   2HE   LYS  22          2HE       LYS  22   8.621 -20.840  -2.343
 1306   1HZ   LYS  22          1HZ       LYS  22  10.212 -22.602  -1.943
 1307   2HZ   LYS  22          2HZ       LYS  22   8.946 -22.722  -0.818
 1308   3HZ   LYS  22          3HZ       LYS  22  10.444 -22.081  -0.343
 1309    H    SER  23           H        SER  23  16.780 -19.591  -0.986
 1310    HA   SER  23           HA       SER  23  14.383 -21.312  -1.449
 1311   1HB   SER  23          1HB       SER  23  16.776 -21.880  -3.006
 1312   2HB   SER  23          2HB       SER  23  17.166 -21.734  -1.292
 1313    HG   SER  23           HG       SER  23  15.317 -23.173  -0.955
 1314    H    PHE  24           H        PHE  24  16.256 -18.694  -2.779
 1315    HA   PHE  24           HA       PHE  24  14.536 -18.754  -5.231
 1316   1HB   PHE  24          1HB       PHE  24  15.596 -16.687  -3.356
 1317   2HB   PHE  24          2HB       PHE  24  15.470 -16.217  -5.050
 1318    HD1  PHE  24           HD1      PHE  24  13.138 -17.389  -6.111
 1319    HD2  PHE  24           HD2      PHE  24  13.772 -15.954  -2.113
 1320    HE1  PHE  24           HE1      PHE  24  10.695 -17.058  -5.842
 1321    HE2  PHE  24           HE2      PHE  24  11.330 -15.622  -1.844
 1322    HZ   PHE  24           HZ       PHE  24   9.791 -16.174  -3.708
 1323    H    GLU  25           H        GLU  25  15.542 -18.243  -7.259
 1324    HA   GLU  25           HA       GLU  25  18.443 -18.877  -7.361
 1325   1HB   GLU  25          1HB       GLU  25  16.054 -18.981  -9.137
 1326   2HB   GLU  25          2HB       GLU  25  17.594 -18.671  -9.937
 1327   1HG   GLU  25          1HG       GLU  25  18.521 -20.711  -9.209
 1328   2HG   GLU  25          2HG       GLU  25  17.325 -20.900  -7.926
 1329    H    LYS  26           H        LYS  26  19.164 -17.548  -9.689
 1330    HA   LYS  26           HA       LYS  26  19.278 -14.738  -8.735
 1331   1HB   LYS  26          1HB       LYS  26  21.253 -16.262  -9.426
 1332   2HB   LYS  26          2HB       LYS  26  20.711 -16.006 -11.082
 1333   1HG   LYS  26          1HG       LYS  26  21.055 -13.641 -10.927
 1334   2HG   LYS  26          2HG       LYS  26  21.272 -13.721  -9.179
 1335   1HD   LYS  26          1HD       LYS  26  23.331 -15.047  -9.494
 1336   2HD   LYS  26          2HD       LYS  26  23.113 -14.970 -11.243
 1337   1HE   LYS  26          1HE       LYS  26  24.344 -13.055 -11.169
 1338   2HE   LYS  26          2HE       LYS  26  22.935 -12.298 -10.402
 1339   1HZ   LYS  26          1HZ       LYS  26  24.756 -12.065  -8.905
 1340   2HZ   LYS  26          2HZ       LYS  26  25.193 -13.698  -9.068
 1341   3HZ   LYS  26          3HZ       LYS  26  23.755 -13.280  -8.267
 1342    H    GLY  27           H        GLY  27  17.846 -13.299  -9.606
 1343   1HA   GLY  27          1HA       GLY  27  16.790 -12.095 -11.370
 1344   2HA   GLY  27          2HA       GLY  27  17.307 -13.347 -12.499
 1345    H    GLU  28           H        GLU  28  15.424 -13.586  -9.473
 1346    HA   GLU  28           HA       GLU  28  13.189 -14.771 -11.090
 1347   1HB   GLU  28          1HB       GLU  28  14.905 -15.900  -9.097
 1348   2HB   GLU  28          2HB       GLU  28  13.291 -15.781  -8.398
 1349   1HG   GLU  28          1HG       GLU  28  13.899 -17.012 -11.103
 1350   2HG   GLU  28          2HG       GLU  28  13.671 -17.934  -9.618
 1351    H    LEU  29           H        LEU  29  11.254 -13.740 -10.749
 1352    HA   LEU  29           HA       LEU  29  10.893 -11.438  -9.165
 1353   1HB   LEU  29          1HB       LEU  29   9.444 -12.332 -11.024
 1354   2HB   LEU  29          2HB       LEU  29   8.834 -13.551  -9.906
 1355    HG   LEU  29           HG       LEU  29   8.026 -11.749  -8.404
 1356   1HD1  LEU  29          1HD1      LEU  29   9.049  -9.744  -8.632
 1357   2HD1  LEU  29          2HD1      LEU  29   8.003  -9.489 -10.029
 1358   3HD1  LEU  29          3HD1      LEU  29   9.625 -10.145 -10.249
 1359   1HD2  LEU  29          1HD2      LEU  29   6.239 -12.342  -9.715
 1360   2HD2  LEU  29          2HD2      LEU  29   7.118 -12.067 -11.219
 1361   3HD2  LEU  29          3HD2      LEU  29   6.448 -10.701 -10.327
 1362    H    VAL  30           H        VAL  30   9.467 -11.249  -7.188
 1363    HA   VAL  30           HA       VAL  30   9.659 -13.652  -5.409
 1364    HB   VAL  30           HB       VAL  30  10.401 -10.758  -4.842
 1365   1HG1  VAL  30          1HG1      VAL  30   9.688 -11.334  -2.744
 1366   2HG1  VAL  30          2HG1      VAL  30  11.247 -12.156  -2.675
 1367   3HG1  VAL  30          3HG1      VAL  30   9.789 -13.063  -3.075
 1368   1HG2  VAL  30          1HG2      VAL  30  11.946 -13.318  -5.222
 1369   2HG2  VAL  30          2HG2      VAL  30  12.620 -11.990  -4.277
 1370   3HG2  VAL  30          3HG2      VAL  30  12.215 -11.746  -5.976
 1371    H    GLU  31           H        GLU  31   8.486 -10.296  -4.988
 1372    HA   GLU  31           HA       GLU  31   5.722 -11.376  -4.625
 1373   1HB   GLU  31          1HB       GLU  31   7.127 -11.105  -2.477
 1374   2HB   GLU  31          2HB       GLU  31   7.028  -9.369  -2.767
 1375   1HG   GLU  31          1HG       GLU  31   5.081  -9.477  -1.604
 1376   2HG   GLU  31          2HG       GLU  31   4.407 -10.161  -3.083
 1377    H    GLU  32           H        GLU  32   5.944 -10.220  -6.918
 1378    HA   GLU  32           HA       GLU  32   6.133  -7.401  -7.160
 1379   1HB   GLU  32          1HB       GLU  32   4.813  -7.831  -9.248
 1380   2HB   GLU  32          2HB       GLU  32   6.124  -8.992  -9.035
 1381   1HG   GLU  32          1HG       GLU  32   4.636 -10.680  -9.067
 1382   2HG   GLU  32          2HG       GLU  32   3.824  -9.993  -7.661
 1383    H    CYS  33           H        CYS  33   4.515  -5.761  -7.107
 1384    HA   CYS  33           HA       CYS  33   1.780  -6.509  -6.227
 1385   1HB   CYS  33          1HB       CYS  33   3.937  -5.249  -4.605
 1386   2HB   CYS  33          2HB       CYS  33   2.334  -4.533  -4.443
 1387    HG   CYS  33           HG       CYS  33   1.862  -7.411  -4.178
 1388    H    LEU  34           H        LEU  34   0.859  -3.981  -5.585
 1389    HA   LEU  34           HA       LEU  34   1.161  -2.552  -8.193
 1390   1HB   LEU  34          1HB       LEU  34  -0.996  -3.318  -6.425
 1391   2HB   LEU  34          2HB       LEU  34  -1.009  -1.569  -6.645
 1392    HG   LEU  34           HG       LEU  34  -0.577  -2.317  -9.195
 1393   1HD1  LEU  34          1HD1      LEU  34  -1.900  -4.612  -7.772
 1394   2HD1  LEU  34          2HD1      LEU  34  -0.602  -4.653  -8.965
 1395   3HD1  LEU  34          3HD1      LEU  34  -2.254  -4.294  -9.470
 1396   1HD2  LEU  34          1HD2      LEU  34  -3.309  -2.347  -7.873
 1397   2HD2  LEU  34          2HD2      LEU  34  -2.964  -1.974  -9.562
 1398   3HD2  LEU  34          3HD2      LEU  34  -2.421  -0.881  -8.289
 1399    H    CYS  35           H        CYS  35   1.182  -0.159  -8.101
 1400    HA   CYS  35           HA       CYS  35   2.164   0.945  -5.493
 1401   1HB   CYS  35          1HB       CYS  35   3.349   1.067  -8.276
 1402   2HB   CYS  35          2HB       CYS  35   3.786   2.248  -7.043
 1403    HG   CYS  35           HG       CYS  35   4.357  -0.075  -5.577
 1404    H    ILE  36           H        ILE  36   2.350   3.518  -5.891
 1405    HA   ILE  36           HA       ILE  36  -0.233   4.344  -7.179
 1406    HB   ILE  36           HB       ILE  36   1.365   5.498  -4.863
 1407   1HG1  ILE  36          1HG1      ILE  36  -1.353   4.153  -4.951
 1408   2HG1  ILE  36          2HG1      ILE  36   0.132   3.399  -4.369
 1409   1HG2  ILE  36          1HG2      ILE  36  -1.330   6.365  -5.950
 1410   2HG2  ILE  36          2HG2      ILE  36   0.183   7.219  -6.253
 1411   3HG2  ILE  36          3HG2      ILE  36  -0.449   7.100  -4.611
 1412   1HD1  ILE  36          1HD1      ILE  36   0.173   4.656  -2.437
 1413   2HD1  ILE  36          2HD1      ILE  36  -1.569   4.647  -2.711
 1414   3HD1  ILE  36          3HD1      ILE  36  -0.607   6.042  -3.198
 1415    H    VAL  37           H        VAL  37  -0.194   6.306  -8.424
 1416    HA   VAL  37           HA       VAL  37   2.557   7.256  -9.163
 1417    HB   VAL  37           HB       VAL  37   0.055   6.945 -10.867
 1418   1HG1  VAL  37          1HG1      VAL  37   1.748   7.301 -12.733
 1419   2HG1  VAL  37          2HG1      VAL  37   2.885   7.823 -11.489
 1420   3HG1  VAL  37          3HG1      VAL  37   1.393   8.727 -11.757
 1421   1HG2  VAL  37          1HG2      VAL  37   2.605   5.369 -11.157
 1422   2HG2  VAL  37          2HG2      VAL  37   0.989   4.974 -11.742
 1423   3HG2  VAL  37          3HG2      VAL  37   1.361   4.847 -10.023
 1424    H    ARG  38           H        ARG  38   2.566   9.166  -7.923
 1425    HA   ARG  38           HA       ARG  38   0.446  11.175  -8.612
 1426   1HB   ARG  38          1HB       ARG  38   1.125   9.905  -6.117
 1427   2HB   ARG  38          2HB       ARG  38   1.494  11.624  -5.994
 1428   1HG   ARG  38          1HG       ARG  38  -1.150  10.461  -6.918
 1429   2HG   ARG  38          2HG       ARG  38  -0.841  11.155  -5.326
 1430   1HD   ARG  38          1HD       ARG  38  -0.151  13.299  -6.524
 1431   2HD   ARG  38          2HD       ARG  38  -0.812  12.576  -8.001
 1432    HE   ARG  38           HE       ARG  38  -2.664  12.346  -5.779
 1433   1HH1  ARG  38          1HH1      ARG  38  -1.430  14.517  -8.205
 1434   2HH1  ARG  38          2HH1      ARG  38  -2.869  15.476  -8.236
 1435   1HH2  ARG  38          1HH2      ARG  38  -4.521  13.607  -5.838
 1436   2HH2  ARG  38          2HH2      ARG  38  -4.607  14.967  -6.907
 1437    H    HIS  39           H        HIS  39   1.291  13.135  -9.255
 1438    HA   HIS  39           HA       HIS  39   3.978  13.578  -9.891
 1439   1HB   HIS  39          1HB       HIS  39   1.496  15.113  -9.547
 1440   2HB   HIS  39          2HB       HIS  39   2.941  16.088  -9.281
 1441    HD1  HIS  39           HD1      HIS  39   2.697  17.355 -11.534
 1442    HD2  HIS  39           HD2      HIS  39   3.032  13.222 -11.969
 1443    HE1  HIS  39           HE1      HIS  39   3.111  16.925 -13.995
 1444    H    ASN  40           H        ASN  40   5.254  15.538  -8.826
 1445    HA   ASN  40           HA       ASN  40   5.985  14.701  -6.139
 1446   1HB   ASN  40          1HB       ASN  40   7.325  15.710  -8.181
 1447   2HB   ASN  40          2HB       ASN  40   6.855  17.256  -7.476
 1448   1HD2  ASN  40          1HD2      ASN  40   8.686  17.982  -6.355
 1449   2HD2  ASN  40          2HD2      ASN  40   9.579  17.044  -5.256
 1450    H    ASP  41           H        ASP  41   6.462  17.827  -5.658
 1451    HA   ASP  41           HA       ASP  41   5.410  19.501  -4.404
 1452   1HB   ASP  41          1HB       ASP  41   2.884  18.339  -5.627
 1453   2HB   ASP  41          2HB       ASP  41   3.137  19.990  -5.071
 1454    H    ASP  42           H        ASP  42   2.598  19.134  -3.346
 1455    HA   ASP  42           HA       ASP  42   3.065  18.322  -0.749
 1456   1HB   ASP  42          1HB       ASP  42   0.662  18.142  -2.574
 1457   2HB   ASP  42          2HB       ASP  42   0.542  17.691  -0.873
 1458    H    TRP  43           H        TRP  43   2.581  16.208  -3.528
 1459    HA   TRP  43           HA       TRP  43   1.932  13.777  -2.223
 1460   1HB   TRP  43          1HB       TRP  43   1.885  14.098  -4.644
 1461   2HB   TRP  43          2HB       TRP  43   3.619  14.414  -4.671
 1462    HD1  TRP  43           HD1      TRP  43   4.833  12.416  -5.634
 1463    HE1  TRP  43           HE1      TRP  43   4.654   9.855  -5.412
 1464    HE3  TRP  43           HE3      TRP  43   0.760  12.077  -2.572
 1465    HZ2  TRP  43           HZ2      TRP  43   3.004   7.921  -4.112
 1466    HZ3  TRP  43           HZ3      TRP  43  -0.091   9.862  -1.859
 1467    HH2  TRP  43           HH2      TRP  43   1.023   7.785  -2.623
 1468    H    GLY  44           H        GLY  44   5.190  14.948  -3.176
 1469   1HA   GLY  44          1HA       GLY  44   6.575  12.841  -1.799
 1470   2HA   GLY  44          2HA       GLY  44   7.308  14.339  -2.371
 1471    H    THR  45           H        THR  45   6.040  16.274  -0.928
 1472    HA   THR  45           HA       THR  45   7.354  16.385   1.523
 1473    HB   THR  45           HB       THR  45   4.590  17.512   0.977
 1474    HG1  THR  45           HG1      THR  45   5.457  18.832  -0.435
 1475   1HG2  THR  45          1HG2      THR  45   6.741  19.157   2.156
 1476   2HG2  THR  45          2HG2      THR  45   6.227  17.797   3.154
 1477   3HG2  THR  45          3HG2      THR  45   5.051  19.004   2.635
 1478    H    ALA  46           H        ALA  46   4.036  15.163   0.958
 1479    HA   ALA  46           HA       ALA  46   3.642  14.497   3.780
 1480   1HB   ALA  46          1HB       ALA  46   2.200  14.240   1.163
 1481   2HB   ALA  46          2HB       ALA  46   1.658  14.985   2.666
 1482   3HB   ALA  46          3HB       ALA  46   1.660  13.229   2.503
 1483    H    LEU  47           H        LEU  47   4.115  12.579   0.785
 1484    HA   LEU  47           HA       LEU  47   4.461  10.122   2.397
 1485   1HB   LEU  47          1HB       LEU  47   4.225  10.861  -0.525
 1486   2HB   LEU  47          2HB       LEU  47   4.726   9.238  -0.055
 1487    HG   LEU  47           HG       LEU  47   2.306   9.281  -0.395
 1488   1HD1  LEU  47          1HD1      LEU  47   3.560   8.210   1.750
 1489   2HD1  LEU  47          2HD1      LEU  47   1.831   8.025   1.457
 1490   3HD1  LEU  47          3HD1      LEU  47   2.409   9.263   2.572
 1491   1HD2  LEU  47          1HD2      LEU  47   1.896  11.128   1.913
 1492   2HD2  LEU  47          2HD2      LEU  47   0.887  10.866   0.491
 1493   3HD2  LEU  47          3HD2      LEU  47   2.348  11.846   0.367
 1494    H    GLU  48           H        GLU  48   6.524  12.355   2.426
 1495    HA   GLU  48           HA       GLU  48   8.816  11.565   0.886
 1496   1HB   GLU  48          1HB       GLU  48   9.989  13.011   2.588
 1497   2HB   GLU  48          2HB       GLU  48   8.562  13.776   1.893
 1498   1HG   GLU  48          1HG       GLU  48   7.789  14.059   3.991
 1499   2HG   GLU  48          2HG       GLU  48   7.615  12.308   4.099
 1500    H    ASP  49           H        ASP  49   8.593   9.135   1.338
 1501    HA   ASP  49           HA       ASP  49  10.593   8.311   3.247
 1502   1HB   ASP  49          1HB       ASP  49   8.084   8.877   4.319
 1503   2HB   ASP  49          2HB       ASP  49   8.057   7.124   4.130
 1504    H    TYR  50           H        TYR  50   7.716   7.332   1.380
 1505    HA   TYR  50           HA       TYR  50   9.214   4.860   0.573
 1506   1HB   TYR  50          1HB       TYR  50   6.250   5.125   1.209
 1507   2HB   TYR  50          2HB       TYR  50   7.101   3.633   0.817
 1508    HD1  TYR  50           HD1      TYR  50   9.387   3.378   2.348
 1509    HD2  TYR  50           HD2      TYR  50   5.778   5.428   3.456
 1510    HE1  TYR  50           HE1      TYR  50   9.959   3.092   4.745
 1511    HE2  TYR  50           HE2      TYR  50   6.351   5.142   5.852
 1512    HH   TYR  50           HH       TYR  50   8.924   3.080   6.892
 1513    H    LEU  51           H        LEU  51   9.273   7.122  -1.040
 1514    HA   LEU  51           HA       LEU  51   7.289   6.466  -3.197
 1515   1HB   LEU  51          1HB       LEU  51   8.567   9.081  -2.321
 1516   2HB   LEU  51          2HB       LEU  51   7.574   8.917  -3.766
 1517    HG   LEU  51           HG       LEU  51   6.699   8.414  -0.907
 1518   1HD1  LEU  51          1HD1      LEU  51   6.227  10.620  -0.989
 1519   2HD1  LEU  51          2HD1      LEU  51   5.028  10.247  -2.226
 1520   3HD1  LEU  51          3HD1      LEU  51   6.666  10.705  -2.695
 1521   1HD2  LEU  51          1HD2      LEU  51   5.536   7.664  -3.541
 1522   2HD2  LEU  51          2HD2      LEU  51   4.423   8.356  -2.361
 1523   3HD2  LEU  51          3HD2      LEU  51   5.334   6.900  -1.964
 1524    H    PHE  52           H        PHE  52   8.179   5.898  -5.134
 1525    HA   PHE  52           HA       PHE  52  11.115   6.163  -5.531
 1526   1HB   PHE  52          1HB       PHE  52   8.825   4.742  -6.928
 1527   2HB   PHE  52          2HB       PHE  52  10.446   4.803  -7.623
 1528    HD1  PHE  52           HD1      PHE  52   8.290   3.037  -5.418
 1529    HD2  PHE  52           HD2      PHE  52  12.407   4.103  -6.018
 1530    HE1  PHE  52           HE1      PHE  52   8.988   1.163  -3.951
 1531    HE2  PHE  52           HE2      PHE  52  13.106   2.229  -4.551
 1532    HZ   PHE  52           HZ       PHE  52  11.396   0.760  -3.518
 1533    H    SER  53           H        SER  53  11.548   8.279  -6.182
 1534    HA   SER  53           HA       SER  53   9.637   9.739  -7.862
 1535   1HB   SER  53          1HB       SER  53  11.270  11.569  -7.487
 1536   2HB   SER  53          2HB       SER  53  10.868  10.755  -5.974
 1537    HG   SER  53           HG       SER  53  13.240  10.857  -7.357
 1538    H    ARG  54           H        ARG  54   9.626   9.279 -10.016
 1539    HA   ARG  54           HA       ARG  54  12.190   8.652 -11.400
 1540   1HB   ARG  54          1HB       ARG  54   9.875   7.374 -11.500
 1541   2HB   ARG  54          2HB       ARG  54   9.445   8.647 -12.642
 1542   1HG   ARG  54          1HG       ARG  54  10.756   7.770 -14.265
 1543   2HG   ARG  54          2HG       ARG  54  12.101   7.522 -13.151
 1544   1HD   ARG  54          1HD       ARG  54  11.633   5.304 -13.145
 1545   2HD   ARG  54          2HD       ARG  54  10.048   5.665 -12.435
 1546    HE   ARG  54           HE       ARG  54   9.835   6.312 -15.163
 1547   1HH1  ARG  54          1HH1      ARG  54  10.540   3.496 -13.241
 1548   2HH1  ARG  54          2HH1      ARG  54   9.890   2.400 -14.410
 1549   1HH2  ARG  54          1HH2      ARG  54   8.997   4.867 -16.665
 1550   2HH2  ARG  54          2HH2      ARG  54   9.023   3.167 -16.333
 1551    H    LYS  55           H        LYS  55  12.079   9.631 -13.801
 1552    HA   LYS  55           HA       LYS  55  12.127  12.524 -13.478
 1553   1HB   LYS  55          1HB       LYS  55  13.660  10.984 -14.852
 1554   2HB   LYS  55          2HB       LYS  55  12.346  10.894 -16.025
 1555   1HG   LYS  55          1HG       LYS  55  12.686  13.027 -16.753
 1556   2HG   LYS  55          2HG       LYS  55  13.026  13.628 -15.130
 1557   1HD   LYS  55          1HD       LYS  55  15.228  12.168 -15.425
 1558   2HD   LYS  55          2HD       LYS  55  14.889  12.419 -17.137
 1559   1HE   LYS  55          1HE       LYS  55  15.301  14.693 -17.019
 1560   2HE   LYS  55          2HE       LYS  55  14.736  14.809 -15.341
 1561   1HZ   LYS  55          1HZ       LYS  55  17.157  13.275 -16.105
 1562   2HZ   LYS  55          2HZ       LYS  55  16.688  13.786 -14.555
 1563   3HZ   LYS  55          3HZ       LYS  55  17.232  14.921 -15.695
 1564    H    ASN  56           H        ASN  56   9.839  12.881 -12.996
 1565    HA   ASN  56           HA       ASN  56   7.873  12.343 -15.134
 1566   1HB   ASN  56          1HB       ASN  56   7.419  14.804 -15.346
 1567   2HB   ASN  56          2HB       ASN  56   8.798  15.118 -14.292
 1568   1HD2  ASN  56          1HD2      ASN  56   7.908  13.712 -17.463
 1569   2HD2  ASN  56          2HD2      ASN  56   9.447  13.894 -18.154
 1570    H    MET  57           H        MET  57   8.322  11.792 -12.174
 1571    HA   MET  57           HA       MET  57   6.505  13.402 -10.630
 1572   1HB   MET  57          1HB       MET  57   4.561  11.870 -10.672
 1573   2HB   MET  57          2HB       MET  57   4.916  12.450 -12.294
 1574   1HG   MET  57          1HG       MET  57   6.209   9.911 -11.388
 1575   2HG   MET  57          2HG       MET  57   4.504   9.872 -11.815
 1576   1HE   MET  57          1HE       MET  57   3.511  10.714 -13.511
 1577   2HE   MET  57          2HE       MET  57   3.896   9.510 -14.741
 1578   3HE   MET  57          3HE       MET  57   4.105  11.226 -15.091
 1579    H    SER  58           H        SER  58   5.401  11.393  -8.985
 1580    HA   SER  58           HA       SER  58   7.718   9.734  -8.104
 1581   1HB   SER  58          1HB       SER  58   6.392  12.038  -6.750
 1582   2HB   SER  58          2HB       SER  58   6.782  10.653  -5.729
 1583    HG   SER  58           HG       SER  58   8.415  12.495  -6.350
 1584    H    ALA  59           H        ALA  59   6.975   7.682  -7.728
 1585    HA   ALA  59           HA       ALA  59   4.042   7.321  -7.258
 1586   1HB   ALA  59          1HB       ALA  59   5.307   4.880  -7.915
 1587   2HB   ALA  59          2HB       ALA  59   6.101   6.102  -8.909
 1588   3HB   ALA  59          3HB       ALA  59   4.352   5.894  -8.996
 1589    H    MET  60           H        MET  60   3.384   5.716  -5.662
 1590    HA   MET  60           HA       MET  60   5.236   5.547  -3.358
 1591   1HB   MET  60          1HB       MET  60   2.715   6.165  -3.368
 1592   2HB   MET  60          2HB       MET  60   2.427   4.442  -3.604
 1593   1HG   MET  60          1HG       MET  60   3.308   3.877  -1.509
 1594   2HG   MET  60          2HG       MET  60   4.241   5.369  -1.391
 1595   1HE   MET  60          1HE       MET  60   2.028   6.084   1.565
 1596   2HE   MET  60          2HE       MET  60   3.605   6.328   0.814
 1597   3HE   MET  60          3HE       MET  60   3.002   4.693   1.090
 1598    H    ALA  61           H        ALA  61   5.404   3.379  -2.227
 1599    HA   ALA  61           HA       ALA  61   6.116   1.302  -4.163
 1600   1HB   ALA  61          1HB       ALA  61   7.595   1.094  -2.451
 1601   2HB   ALA  61          2HB       ALA  61   6.303   0.297  -1.554
 1602   3HB   ALA  61          3HB       ALA  61   6.566   2.032  -1.368
 1603    H    LEU  62           H        LEU  62   3.428   1.944  -2.000
 1604    HA   LEU  62           HA       LEU  62   1.712   0.051  -3.260
 1605   1HB   LEU  62          1HB       LEU  62   0.924   0.633  -0.545
 1606   2HB   LEU  62          2HB       LEU  62   1.637   2.076  -1.265
 1607    HG   LEU  62           HG       LEU  62   0.147   1.710  -3.269
 1608   1HD1  LEU  62          1HD1      LEU  62  -1.940   0.231  -2.326
 1609   2HD1  LEU  62          2HD1      LEU  62  -0.580  -0.628  -1.604
 1610   3HD1  LEU  62          3HD1      LEU  62  -0.664  -0.422  -3.353
 1611   1HD2  LEU  62          1HD2      LEU  62  -1.729   2.763  -2.263
 1612   2HD2  LEU  62          2HD2      LEU  62  -0.363   3.215  -1.243
 1613   3HD2  LEU  62          3HD2      LEU  62  -1.467   1.941  -0.725
 1614    H    GLY  63           H        GLY  63   2.731  -2.030  -3.248
 1615   1HA   GLY  63          1HA       GLY  63   2.045  -3.715  -1.055
 1616   2HA   GLY  63          2HA       GLY  63   3.096  -4.180  -2.390
 1617    H    PHE  64           H        PHE  64   4.664  -5.223  -1.145
 1618    HA   PHE  64           HA       PHE  64   5.849  -3.942   1.210
 1619   1HB   PHE  64          1HB       PHE  64   6.564  -6.408  -0.423
 1620   2HB   PHE  64          2HB       PHE  64   7.214  -6.026   1.171
 1621    HD1  PHE  64           HD1      PHE  64   5.631  -5.852   3.140
 1622    HD2  PHE  64           HD2      PHE  64   4.422  -7.415  -0.674
 1623    HE1  PHE  64           HE1      PHE  64   3.653  -6.908   4.200
 1624    HE2  PHE  64           HE2      PHE  64   2.444  -8.471   0.386
 1625    HZ   PHE  64           HZ       PHE  64   2.059  -8.217   2.823
 1626    H    GLY  65           H        GLY  65   6.231  -2.147  -0.848
 1627   1HA   GLY  65          1HA       GLY  65   8.915  -2.622  -1.996
 1628   2HA   GLY  65          2HA       GLY  65   7.863  -1.256  -2.364
 1629    H    ALA  66           H        ALA  66   7.382  -0.858   0.596
 1630    HA   ALA  66           HA       ALA  66   9.757   0.844   1.060
 1631   1HB   ALA  66          1HB       ALA  66   7.878   2.050   1.604
 1632   2HB   ALA  66          2HB       ALA  66   8.052   1.235   3.158
 1633   3HB   ALA  66          3HB       ALA  66   6.932   0.603   1.950
 1634    H    ILE  67           H        ILE  67   7.983  -1.759   2.739
 1635    HA   ILE  67           HA       ILE  67   9.336  -1.992   5.111
 1636    HB   ILE  67           HB       ILE  67   8.947  -4.512   4.808
 1637   1HG1  ILE  67          1HG1      ILE  67   7.467  -5.024   2.809
 1638   2HG1  ILE  67          2HG1      ILE  67   8.021  -3.512   2.102
 1639   1HG2  ILE  67          1HG2      ILE  67   6.593  -2.757   4.083
 1640   2HG2  ILE  67          2HG2      ILE  67   7.299  -2.794   5.698
 1641   3HG2  ILE  67          3HG2      ILE  67   6.578  -4.253   5.018
 1642   1HD1  ILE  67          1HD1      ILE  67  10.209  -5.173   3.123
 1643   2HD1  ILE  67          2HD1      ILE  67  10.031  -4.388   1.553
 1644   3HD1  ILE  67          3HD1      ILE  67   9.277  -5.950   1.844
 1645    H    PHE  68           H        PHE  68  10.771  -2.663   1.964
 1646    HA   PHE  68           HA       PHE  68  12.913  -4.356   2.706
 1647   1HB   PHE  68          1HB       PHE  68  12.711  -2.042   0.750
 1648   2HB   PHE  68          2HB       PHE  68  14.059  -3.177   0.772
 1649    HD1  PHE  68           HD1      PHE  68  12.762  -5.739   1.347
 1650    HD2  PHE  68           HD2      PHE  68  11.471  -2.522  -1.190
 1651    HE1  PHE  68           HE1      PHE  68  11.441  -7.339  -0.010
 1652    HE2  PHE  68           HE2      PHE  68  10.150  -4.123  -2.547
 1653    HZ   PHE  68           HZ       PHE  68  10.134  -6.532  -1.956
 1654    H    ASN  69           H        ASN  69  14.927  -3.954   3.699
 1655    HA   ASN  69           HA       ASN  69  15.261  -1.214   4.883
 1656   1HB   ASN  69          1HB       ASN  69  15.782  -4.028   5.869
 1657   2HB   ASN  69          2HB       ASN  69  16.513  -2.631   6.659
 1658   1HD2  ASN  69          1HD2      ASN  69  14.334  -4.527   7.636
 1659   2HD2  ASN  69          2HD2      ASN  69  13.040  -3.511   8.056
 1660    H    HIS  70           H        HIS  70  17.796  -1.376   5.832
 1661    HA   HIS  70           HA       HIS  70  19.439  -1.640   3.348
 1662   1HB   HIS  70          1HB       HIS  70  19.228   0.542   4.634
 1663   2HB   HIS  70          2HB       HIS  70  20.039  -0.250   5.986
 1664    HD1  HIS  70           HD1      HIS  70  21.964   1.599   5.545
 1665    HD2  HIS  70           HD2      HIS  70  21.503  -1.291   2.576
 1666    HE1  HIS  70           HE1      HIS  70  24.066   1.680   4.135
 1667    H    SER  71           H        SER  71  20.420  -3.650   3.292
 1668    HA   SER  71           HA       SER  71  21.531  -4.719   5.867
 1669   1HB   SER  71          1HB       SER  71  19.611  -5.922   4.701
 1670   2HB   SER  71          2HB       SER  71  20.719  -6.237   3.365
 1671    HG   SER  71           HG       SER  71  22.101  -7.264   4.898
 1672    H    LYS  72           H        LYS  72  22.711  -2.961   3.559
 1673    HA   LYS  72           HA       LYS  72  24.779  -2.819   2.420
 1674   1HB   LYS  72          1HB       LYS  72  25.439  -4.886   4.553
 1675   2HB   LYS  72          2HB       LYS  72  26.611  -3.888   3.693
 1676   1HG   LYS  72          1HG       LYS  72  24.344  -2.626   5.228
 1677   2HG   LYS  72          2HG       LYS  72  25.830  -3.106   6.046
 1678   1HD   LYS  72          1HD       LYS  72  26.948  -1.799   4.012
 1679   2HD   LYS  72          2HD       LYS  72  25.394  -0.967   4.003
 1680   1HE   LYS  72          1HE       LYS  72  25.674  -0.427   6.410
 1681   2HE   LYS  72          2HE       LYS  72  27.251  -1.240   6.397
 1682   1HZ   LYS  72          1HZ       LYS  72  26.501   0.934   4.515
 1683   2HZ   LYS  72          2HZ       LYS  72  28.042   0.258   4.744
 1684   3HZ   LYS  72          3HZ       LYS  72  27.342   1.211   5.963
 1685    H    ASP  73           H        ASP  73  22.764  -5.041   1.724
 1686    HA   ASP  73           HA       ASP  73  24.338  -6.332  -0.324
 1687   1HB   ASP  73          1HB       ASP  73  24.162  -7.500   2.361
 1688   2HB   ASP  73          2HB       ASP  73  23.602  -8.613   1.113
 1689    HA   PRO  74           HA       PRO  74  19.620  -6.193  -0.501
 1690   1HB   PRO  74          1HB       PRO  74  19.664  -5.062  -3.068
 1691   2HB   PRO  74          2HB       PRO  74  19.419  -4.165  -1.559
 1692   1HG   PRO  74          1HG       PRO  74  21.866  -4.479  -3.207
 1693   2HG   PRO  74          2HG       PRO  74  21.317  -3.096  -2.251
 1694   1HD   PRO  74          1HD       PRO  74  23.308  -4.741  -1.443
 1695   2HD   PRO  74          2HD       PRO  74  22.217  -3.925  -0.303
 1696    H    ASN  75           H        ASN  75  20.046  -8.558  -0.678
 1697    HA   ASN  75           HA       ASN  75  20.993  -9.868  -3.015
 1698   1HB   ASN  75          1HB       ASN  75  19.050 -10.573  -0.800
 1699   2HB   ASN  75          2HB       ASN  75  19.506 -11.744  -2.037
 1700   1HD2  ASN  75          1HD2      ASN  75  21.983 -12.054  -2.287
 1701   2HD2  ASN  75          2HD2      ASN  75  22.920 -11.975  -0.873
 1702    H    ALA  76           H        ALA  76  18.019  -8.174  -2.459
 1703    HA   ALA  76           HA       ALA  76  16.996  -9.178  -5.091
 1704   1HB   ALA  76          1HB       ALA  76  15.934 -10.019  -2.835
 1705   2HB   ALA  76          2HB       ALA  76  14.862  -9.495  -4.134
 1706   3HB   ALA  76          3HB       ALA  76  15.206  -8.413  -2.785
 1707    H    ARG  77           H        ARG  77  16.080  -7.560  -6.403
 1708    HA   ARG  77           HA       ARG  77  16.237  -4.767  -5.317
 1709   1HB   ARG  77          1HB       ARG  77  17.702  -5.909  -7.308
 1710   2HB   ARG  77          2HB       ARG  77  16.337  -5.298  -8.243
 1711   1HG   ARG  77          1HG       ARG  77  16.674  -3.063  -7.130
 1712   2HG   ARG  77          2HG       ARG  77  18.146  -3.707  -6.402
 1713   1HD   ARG  77          1HD       ARG  77  19.200  -3.012  -8.300
 1714   2HD   ARG  77          2HD       ARG  77  18.392  -4.367  -9.110
 1715    HE   ARG  77           HE       ARG  77  16.440  -2.406  -9.022
 1716   1HH1  ARG  77          1HH1      ARG  77  19.729  -2.532 -10.157
 1717   2HH1  ARG  77          2HH1      ARG  77  19.465  -1.346 -11.388
 1718   1HH2  ARG  77          1HH2      ARG  77  16.123  -0.869 -10.626
 1719   2HH2  ARG  77          2HH2      ARG  77  17.440  -0.410 -11.653
 1720    H    HIS  78           H        HIS  78  14.717  -3.238  -6.493
 1721    HA   HIS  78           HA       HIS  78  12.086  -4.591  -6.944
 1722   1HB   HIS  78          1HB       HIS  78  11.205  -2.331  -6.323
 1723   2HB   HIS  78          2HB       HIS  78  12.244  -3.006  -5.068
 1724    HD1  HIS  78           HD1      HIS  78  14.585  -1.924  -4.736
 1725    HD2  HIS  78           HD2      HIS  78  12.289  -0.076  -7.684
 1726    HE1  HIS  78           HE1      HIS  78  15.747   0.258  -5.285
 1727    H    GLU  79           H        GLU  79  11.073  -4.345  -8.916
 1728    HA   GLU  79           HA       GLU  79  12.320  -2.455 -10.887
 1729   1HB   GLU  79          1HB       GLU  79  12.746  -4.962 -11.145
 1730   2HB   GLU  79          2HB       GLU  79  11.018  -5.139 -11.450
 1731   1HG   GLU  79          1HG       GLU  79  11.135  -3.739 -13.397
 1732   2HG   GLU  79          2HG       GLU  79  12.791  -3.258 -13.025
 1733    H    LEU  80           H        LEU  80  10.733  -1.868 -12.672
 1734    HA   LEU  80           HA       LEU  80   7.919  -1.786 -11.628
 1735   1HB   LEU  80          1HB       LEU  80   9.706   0.313 -12.885
 1736   2HB   LEU  80          2HB       LEU  80   7.955   0.511 -12.821
 1737    HG   LEU  80           HG       LEU  80   9.493  -0.191 -10.329
 1738   1HD1  LEU  80          1HD1      LEU  80   9.576   2.331 -11.844
 1739   2HD1  LEU  80          2HD1      LEU  80  10.631   1.762 -10.551
 1740   3HD1  LEU  80          3HD1      LEU  80   9.091   2.528 -10.160
 1741   1HD2  LEU  80          1HD2      LEU  80   7.515   0.229  -9.298
 1742   2HD2  LEU  80          2HD2      LEU  80   6.811   0.094 -10.909
 1743   3HD2  LEU  80          3HD2      LEU  80   7.226   1.680 -10.259
 1744    H    THR  81           H        THR  81   6.277  -1.973 -13.224
 1745    HA   THR  81           HA       THR  81   6.977  -3.426 -15.632
 1746    HB   THR  81           HB       THR  81   4.515  -3.263 -16.004
 1747    HG1  THR  81           HG1      THR  81   4.392  -1.761 -13.626
 1748   1HG2  THR  81          1HG2      THR  81   3.856  -4.477 -14.028
 1749   2HG2  THR  81          2HG2      THR  81   5.144  -3.736 -13.078
 1750   3HG2  THR  81          3HG2      THR  81   5.540  -4.887 -14.355
 1751    H    ALA  82           H        ALA  82   4.859  -0.573 -15.629
 1752    HA   ALA  82           HA       ALA  82   6.638   1.043 -17.274
 1753   1HB   ALA  82          1HB       ALA  82   4.597   0.681 -19.112
 1754   2HB   ALA  82          2HB       ALA  82   4.786  -0.936 -18.434
 1755   3HB   ALA  82          3HB       ALA  82   6.164  -0.126 -19.179
 1756    H    GLY  83           H        GLY  83   6.026   2.802 -15.958
 1757   1HA   GLY  83          1HA       GLY  83   4.484   4.762 -16.172
 1758   2HA   GLY  83          2HA       GLY  83   3.151   3.607 -16.164
 1759    H    LEU  84           H        LEU  84   5.850   3.044 -14.038
 1760    HA   LEU  84           HA       LEU  84   5.936   2.983 -11.675
 1761   1HB   LEU  84          1HB       LEU  84   4.464   5.531 -12.391
 1762   2HB   LEU  84          2HB       LEU  84   4.867   5.145 -10.718
 1763    HG   LEU  84           HG       LEU  84   6.861   5.307 -12.998
 1764   1HD1  LEU  84          1HD1      LEU  84   5.785   7.287 -11.083
 1765   2HD1  LEU  84          2HD1      LEU  84   6.575   7.541 -12.639
 1766   3HD1  LEU  84          3HD1      LEU  84   7.544   7.245 -11.196
 1767   1HD2  LEU  84          1HD2      LEU  84   8.134   5.496 -10.507
 1768   2HD2  LEU  84          2HD2      LEU  84   8.158   4.107 -11.593
 1769   3HD2  LEU  84          3HD2      LEU  84   6.953   4.202 -10.309
 1770    H    LYS  85           H        LYS  85   3.738   1.490 -12.927
 1771    HA   LYS  85           HA       LYS  85   1.495   1.927 -11.005
 1772   1HB   LYS  85          1HB       LYS  85   1.872   0.654 -13.707
 1773   2HB   LYS  85          2HB       LYS  85   0.491   0.182 -12.717
 1774   1HG   LYS  85          1HG       LYS  85   0.099   2.741 -12.448
 1775   2HG   LYS  85          2HG       LYS  85   1.162   2.896 -13.846
 1776   1HD   LYS  85          1HD       LYS  85  -0.330   1.266 -15.060
 1777   2HD   LYS  85          2HD       LYS  85  -1.441   1.351 -13.693
 1778   1HE   LYS  85          1HE       LYS  85  -0.775   4.035 -14.434
 1779   2HE   LYS  85          2HE       LYS  85  -1.249   3.159 -15.902
 1780   1HZ   LYS  85          1HZ       LYS  85  -2.737   3.050 -13.328
 1781   2HZ   LYS  85          2HZ       LYS  85  -3.217   2.377 -14.811
 1782   3HZ   LYS  85          3HZ       LYS  85  -3.163   4.064 -14.623
 1783    H    ARG  86           H        ARG  86   2.737  -1.036 -12.582
 1784    HA   ARG  86           HA       ARG  86   2.268  -2.556 -10.103
 1785   1HB   ARG  86          1HB       ARG  86   2.932  -3.054 -12.978
 1786   2HB   ARG  86          2HB       ARG  86   3.363  -4.315 -11.822
 1787   1HG   ARG  86          1HG       ARG  86   0.818  -3.653 -11.015
 1788   2HG   ARG  86          2HG       ARG  86   0.705  -3.459 -12.764
 1789   1HD   ARG  86          1HD       ARG  86   1.587  -5.741 -13.090
 1790   2HD   ARG  86          2HD       ARG  86   1.740  -5.938 -11.333
 1791    HE   ARG  86           HE       ARG  86  -0.923  -5.065 -12.024
 1792   1HH1  ARG  86          1HH1      ARG  86   1.180  -7.839 -12.052
 1793   2HH1  ARG  86          2HH1      ARG  86  -0.125  -8.968 -11.946
 1794   1HH2  ARG  86          1HH2      ARG  86  -2.602  -6.551 -11.886
 1795   2HH2  ARG  86          2HH2      ARG  86  -2.250  -8.247 -11.852
 1796    H    MET  87           H        MET  87   4.181  -4.260  -9.669
 1797    HA   MET  87           HA       MET  87   6.847  -2.963  -9.901
 1798   1HB   MET  87          1HB       MET  87   5.096  -2.985  -7.576
 1799   2HB   MET  87          2HB       MET  87   6.625  -3.787  -7.216
 1800   1HG   MET  87          1HG       MET  87   7.810  -1.793  -8.211
 1801   2HG   MET  87          2HG       MET  87   6.244  -0.989  -8.320
 1802   1HE   MET  87          1HE       MET  87   8.575  -2.738  -5.123
 1803   2HE   MET  87          2HE       MET  87   9.221  -1.104  -5.272
 1804   3HE   MET  87          3HE       MET  87   9.078  -2.130  -6.700
 1805    H    ARG  88           H        ARG  88   8.340  -4.521 -10.337
 1806    HA   ARG  88           HA       ARG  88   7.683  -7.363  -9.638
 1807   1HB   ARG  88          1HB       ARG  88   7.739  -6.907 -12.025
 1808   2HB   ARG  88          2HB       ARG  88   9.278  -6.064 -11.877
 1809   1HG   ARG  88          1HG       ARG  88  10.085  -8.381 -10.876
 1810   2HG   ARG  88          2HG       ARG  88   8.703  -9.005 -11.773
 1811   1HD   ARG  88          1HD       ARG  88  10.078  -7.174 -13.484
 1812   2HD   ARG  88          2HD       ARG  88  11.280  -8.277 -12.793
 1813    HE   ARG  88           HE       ARG  88   8.963  -9.784 -13.527
 1814   1HH1  ARG  88          1HH1      ARG  88  11.593  -8.008 -14.958
 1815   2HH1  ARG  88          2HH1      ARG  88  11.595  -8.959 -16.402
 1816   1HH2  ARG  88          1HH2      ARG  88   8.985 -11.004 -15.412
 1817   2HH2  ARG  88          2HH2      ARG  88  10.131 -10.643 -16.659
 1818    H    ILE  89           H        ILE  89   8.809  -7.743  -7.731
 1819    HA   ILE  89           HA       ILE  89  11.513  -6.611  -7.343
 1820    HB   ILE  89           HB       ILE  89   9.678  -8.381  -5.685
 1821   1HG1  ILE  89          1HG1      ILE  89  10.422  -5.563  -5.001
 1822   2HG1  ILE  89          2HG1      ILE  89   9.230  -5.824  -6.274
 1823   1HG2  ILE  89          1HG2      ILE  89  11.858  -8.845  -4.883
 1824   2HG2  ILE  89          2HG2      ILE  89  11.275  -7.564  -3.821
 1825   3HG2  ILE  89          3HG2      ILE  89  12.393  -7.183  -5.130
 1826   1HD1  ILE  89          1HD1      ILE  89   8.984  -7.261  -3.638
 1827   2HD1  ILE  89          2HD1      ILE  89   7.726  -6.893  -4.818
 1828   3HD1  ILE  89          3HD1      ILE  89   8.395  -5.608  -3.812
 1829    H    PHE  90           H        PHE  90  13.169  -7.709  -8.328
 1830    HA   PHE  90           HA       PHE  90  12.942 -10.663  -8.684
 1831   1HB   PHE  90          1HB       PHE  90  14.158  -8.355 -10.061
 1832   2HB   PHE  90          2HB       PHE  90  15.218  -9.762  -9.984
 1833    HD1  PHE  90           HD1      PHE  90  11.487  -9.614 -10.191
 1834    HD2  PHE  90           HD2      PHE  90  15.155 -10.682 -12.153
 1835    HE1  PHE  90           HE1      PHE  90  10.197 -10.680 -12.023
 1836    HE2  PHE  90           HE2      PHE  90  13.866 -11.747 -13.984
 1837    HZ   PHE  90           HZ       PHE  90  11.386 -11.744 -13.919
 1838    H    THR  91           H        THR  91  15.258 -11.728  -8.559
 1839    HA   THR  91           HA       THR  91  16.526 -10.843  -5.989
 1840    HB   THR  91           HB       THR  91  17.183 -13.341  -5.974
 1841    HG1  THR  91           HG1      THR  91  16.820 -14.031  -7.974
 1842   1HG2  THR  91          1HG2      THR  91  15.361 -13.676  -4.664
 1843   2HG2  THR  91          2HG2      THR  91  14.243 -13.354  -5.990
 1844   3HG2  THR  91          3HG2      THR  91  14.935 -12.015  -5.074
 1845    H    ILE  92           H        ILE  92  18.234  -9.561  -6.813
 1846    HA   ILE  92           HA       ILE  92  19.742  -9.973  -9.148
 1847    HB   ILE  92           HB       ILE  92  21.475  -8.653  -7.891
 1848   1HG1  ILE  92          1HG1      ILE  92  19.683  -8.505  -5.522
 1849   2HG1  ILE  92          2HG1      ILE  92  20.635  -9.980  -5.695
 1850   1HG2  ILE  92          1HG2      ILE  92  20.183  -6.872  -8.363
 1851   2HG2  ILE  92          2HG2      ILE  92  19.171  -7.199  -6.955
 1852   3HG2  ILE  92          3HG2      ILE  92  18.797  -7.955  -8.504
 1853   1HD1  ILE  92          1HD1      ILE  92  21.557  -7.164  -5.272
 1854   2HD1  ILE  92          2HD1      ILE  92  22.587  -8.248  -6.206
 1855   3HD1  ILE  92          3HD1      ILE  92  22.153  -8.657  -4.546
 1856    H    LYS  93           H        LYS  93  19.818 -11.764  -6.153
 1857    HA   LYS  93           HA       LYS  93  21.852 -13.584  -7.333
 1858   1HB   LYS  93          1HB       LYS  93  22.063 -12.384  -4.549
 1859   2HB   LYS  93          2HB       LYS  93  23.240 -13.437  -5.331
 1860   1HG   LYS  93          1HG       LYS  93  23.488 -11.674  -7.128
 1861   2HG   LYS  93          2HG       LYS  93  22.490 -10.613  -6.132
 1862   1HD   LYS  93          1HD       LYS  93  24.173 -11.127  -4.239
 1863   2HD   LYS  93          2HD       LYS  93  25.223 -11.739  -5.517
 1864   1HE   LYS  93          1HE       LYS  93  24.613  -9.409  -6.663
 1865   2HE   LYS  93          2HE       LYS  93  24.337  -8.928  -4.978
 1866   1HZ   LYS  93          1HZ       LYS  93  26.744 -10.433  -5.845
 1867   2HZ   LYS  93          2HZ       LYS  93  26.495  -9.620  -4.375
 1868   3HZ   LYS  93          3HZ       LYS  93  26.706  -8.735  -5.809
 1869    HA   PRO  94           HA       PRO  94  19.163 -16.659  -5.693
 1870   1HB   PRO  94          1HB       PRO  94  21.620 -18.208  -5.029
 1871   2HB   PRO  94          2HB       PRO  94  20.254 -18.660  -6.065
 1872   1HG   PRO  94          1HG       PRO  94  22.649 -17.990  -7.068
 1873   2HG   PRO  94          2HG       PRO  94  21.135 -17.618  -7.904
 1874   1HD   PRO  94          1HD       PRO  94  22.958 -15.815  -6.396
 1875   2HD   PRO  94          2HD       PRO  94  21.947 -15.474  -7.814
 1876    H    ILE  95           H        ILE  95  18.265 -16.727  -3.663
 1877    HA   ILE  95           HA       ILE  95  20.000 -15.986  -1.347
 1878    HB   ILE  95           HB       ILE  95  16.999 -15.951  -1.834
 1879   1HG1  ILE  95          1HG1      ILE  95  18.842 -13.604  -1.374
 1880   2HG1  ILE  95          2HG1      ILE  95  18.586 -14.266  -2.989
 1881   1HG2  ILE  95          1HG2      ILE  95  18.620 -15.021   0.557
 1882   2HG2  ILE  95          2HG2      ILE  95  17.474 -16.361   0.537
 1883   3HG2  ILE  95          3HG2      ILE  95  16.901 -14.707   0.319
 1884   1HD1  ILE  95          1HD1      ILE  95  17.041 -12.365  -2.427
 1885   2HD1  ILE  95          2HD1      ILE  95  16.348 -13.367  -1.152
 1886   3HD1  ILE  95          3HD1      ILE  95  16.199 -13.859  -2.839
 1887    H    ALA  96           H        ALA  96  19.964 -17.266   0.554
 1888    HA   ALA  96           HA       ALA  96  19.169 -20.094   0.129
 1889   1HB   ALA  96          1HB       ALA  96  21.442 -19.547   0.876
 1890   2HB   ALA  96          2HB       ALA  96  20.595 -20.381   2.178
 1891   3HB   ALA  96          3HB       ALA  96  20.799 -18.631   2.238
 1892    H    ILE  97           H        ILE  97  18.179 -21.227   2.067
 1893    HA   ILE  97           HA       ILE  97  15.767 -19.877   2.912
 1894    HB   ILE  97           HB       ILE  97  17.140 -22.441   3.802
 1895   1HG1  ILE  97          1HG1      ILE  97  14.844 -22.938   2.234
 1896   2HG1  ILE  97          2HG1      ILE  97  15.736 -21.668   1.396
 1897   1HG2  ILE  97          1HG2      ILE  97  15.501 -22.628   5.334
 1898   2HG2  ILE  97          2HG2      ILE  97  14.309 -22.571   4.036
 1899   3HG2  ILE  97          3HG2      ILE  97  14.825 -21.080   4.825
 1900   1HD1  ILE  97          1HD1      ILE  97  16.971 -23.390   0.565
 1901   2HD1  ILE  97          2HD1      ILE  97  16.455 -24.497   1.837
 1902   3HD1  ILE  97          3HD1      ILE  97  17.765 -23.355   2.139
 1903    H    GLY  98           H        GLY  98  15.595 -18.475   4.609
 1904   1HA   GLY  98          1HA       GLY  98  15.825 -18.024   6.996
 1905   2HA   GLY  98          2HA       GLY  98  17.357 -18.897   6.974
 1906    H    GLU  99           H        GLU  99  16.267 -16.401   4.687
 1907    HA   GLU  99           HA       GLU  99  18.525 -14.677   5.659
 1908   1HB   GLU  99          1HB       GLU  99  17.593 -15.546   2.929
 1909   2HB   GLU  99          2HB       GLU  99  18.440 -14.009   3.104
 1910   1HG   GLU  99          1HG       GLU  99  19.524 -16.600   4.230
 1911   2HG   GLU  99          2HG       GLU  99  19.911 -16.039   2.603
 1912    H    GLU 100           H        GLU 100  18.041 -12.407   4.233
 1913    HA   GLU 100           HA       GLU 100  15.187 -11.679   4.770
 1914   1HB   GLU 100          1HB       GLU 100  16.760 -11.071   6.652
 1915   2HB   GLU 100          2HB       GLU 100  17.647 -10.054   5.516
 1916   1HG   GLU 100          1HG       GLU 100  15.257  -9.032   5.042
 1917   2HG   GLU 100          2HG       GLU 100  14.886  -9.685   6.638
 1918    H    ILE 101           H        ILE 101  14.339 -10.733   2.955
 1919    HA   ILE 101           HA       ILE 101  16.157  -9.836   0.804
 1920    HB   ILE 101           HB       ILE 101  13.142 -10.103   1.075
 1921   1HG1  ILE 101          1HG1      ILE 101  15.134 -11.774  -0.480
 1922   2HG1  ILE 101          2HG1      ILE 101  14.524 -12.207   1.118
 1923   1HG2  ILE 101          1HG2      ILE 101  14.620  -8.603  -0.809
 1924   2HG2  ILE 101          2HG2      ILE 101  12.915  -9.044  -0.900
 1925   3HG2  ILE 101          3HG2      ILE 101  14.136 -10.083  -1.637
 1926   1HD1  ILE 101          1HD1      ILE 101  12.826 -11.761  -1.357
 1927   2HD1  ILE 101          2HD1      ILE 101  12.216 -12.194   0.240
 1928   3HD1  ILE 101          3HD1      ILE 101  13.224 -13.329  -0.657
 1929    H    THR 102           H        THR 102  16.455  -7.710   0.235
 1930    HA   THR 102           HA       THR 102  14.697  -5.589   1.311
 1931    HB   THR 102           HB       THR 102  16.707  -4.488   2.357
 1932    HG1  THR 102           HG1      THR 102  18.274  -5.598   1.139
 1933   1HG2  THR 102          1HG2      THR 102  16.622  -5.768   4.352
 1934   2HG2  THR 102          2HG2      THR 102  16.354  -7.272   3.470
 1935   3HG2  THR 102          3HG2      THR 102  15.070  -6.066   3.570
 1936    H    ILE 103           H        ILE 103  16.023  -3.362   0.640
 1937    HA   ILE 103           HA       ILE 103  17.333  -3.724  -2.000
 1938    HB   ILE 103           HB       ILE 103  15.645  -2.274  -3.077
 1939   1HG1  ILE 103          1HG1      ILE 103  13.519  -2.255  -1.254
 1940   2HG1  ILE 103          2HG1      ILE 103  14.928  -1.798  -0.296
 1941   1HG2  ILE 103          1HG2      ILE 103  15.329  -4.802  -2.849
 1942   2HG2  ILE 103          2HG2      ILE 103  13.869  -3.870  -3.181
 1943   3HG2  ILE 103          3HG2      ILE 103  14.196  -4.445  -1.546
 1944   1HD1  ILE 103          1HD1      ILE 103  13.503  -0.037  -1.804
 1945   2HD1  ILE 103          2HD1      ILE 103  14.738  -0.524  -2.965
 1946   3HD1  ILE 103          3HD1      ILE 103  15.210   0.174  -1.415
 1947    H    SER 104           H        SER 104  18.351  -1.707  -2.746
 1948    HA   SER 104           HA       SER 104  19.113   0.047  -0.471
 1949   1HB   SER 104          1HB       SER 104  20.797  -1.095  -1.930
 1950   2HB   SER 104          2HB       SER 104  20.167  -0.202  -3.314
 1951    HG   SER 104           HG       SER 104  21.398   1.368  -2.727
 1952    H    TYR 105           H        TYR 105  19.811   2.360  -1.864
 1953    HA   TYR 105           HA       TYR 105  17.239   3.279  -3.101
 1954   1HB   TYR 105          1HB       TYR 105  18.908   4.841  -1.098
 1955   2HB   TYR 105          2HB       TYR 105  17.291   5.234  -1.676
 1956    HD1  TYR 105           HD1      TYR 105  15.806   2.761  -1.503
 1957    HD2  TYR 105           HD2      TYR 105  18.797   4.305   1.165
 1958    HE1  TYR 105           HE1      TYR 105  14.836   1.433   0.356
 1959    HE2  TYR 105           HE2      TYR 105  17.827   2.979   3.022
 1960    HH   TYR 105           HH       TYR 105  14.807   1.214   2.637
 1961    H    GLY 106           H        GLY 106  20.427   4.722  -2.288
 1962   1HA   GLY 106          1HA       GLY 106  22.034   5.709  -3.692
 1963   2HA   GLY 106          2HA       GLY 106  21.260   4.895  -5.051
 1964    H    ASP 107           H        ASP 107  21.554   6.914  -6.252
 1965    HA   ASP 107           HA       ASP 107  20.778   8.957  -7.123
 1966   1HB   ASP 107          1HB       ASP 107  18.734   7.651  -7.307
 1967   2HB   ASP 107          2HB       ASP 107  18.351   7.930  -5.610
 1968    H    ASP 108           H        ASP 108  18.737   9.249  -4.245
 1969    HA   ASP 108           HA       ASP 108  20.504  11.497  -3.335
 1970   1HB   ASP 108          1HB       ASP 108  18.328  12.109  -4.446
 1971   2HB   ASP 108          2HB       ASP 108  17.479  11.230  -3.174
 1972    H    TYR 109           H        TYR 109  18.411   8.807  -2.384
 1973    HA   TYR 109           HA       TYR 109  18.226   9.147   0.386
 1974   1HB   TYR 109          1HB       TYR 109  18.200   6.972  -1.591
 1975   2HB   TYR 109          2HB       TYR 109  18.701   6.434   0.012
 1976    HD1  TYR 109           HD1      TYR 109  16.086   8.528  -1.676
 1977    HD2  TYR 109           HD2      TYR 109  17.073   5.966   1.628
 1978    HE1  TYR 109           HE1      TYR 109  13.727   8.599  -0.915
 1979    HE2  TYR 109           HE2      TYR 109  14.714   6.037   2.388
 1980    HH   TYR 109           HH       TYR 109  12.192   7.231   0.441
 1981    H    TRP 110           H        TRP 110  20.102  10.043   1.336
 1982    HA   TRP 110           HA       TRP 110  22.788   9.327   0.967
 1983   1HB   TRP 110          1HB       TRP 110  23.027  10.232   3.285
 1984   2HB   TRP 110          2HB       TRP 110  21.964  11.229   2.291
 1985    HD1  TRP 110           HD1      TRP 110  19.531  11.541   3.083
 1986    HE1  TRP 110           HE1      TRP 110  18.137  10.618   5.049
 1987    HE3  TRP 110           HE3      TRP 110  22.742   7.998   4.836
 1988    HZ2  TRP 110           HZ2      TRP 110  18.365   8.625   7.099
 1989    HZ3  TRP 110           HZ3      TRP 110  22.143   6.603   6.779
 1990    HH2  TRP 110           HH2      TRP 110  19.959   6.907   7.923
 1991    H    LEU 111           H        LEU 111  24.137   7.739   1.851
 1992    HA   LEU 111           HA       LEU 111  22.767   5.311   2.866
 1993   1HB   LEU 111          1HB       LEU 111  24.490   5.427   0.968
 1994   2HB   LEU 111          2HB       LEU 111  25.695   5.766   2.211
 1995    HG   LEU 111           HG       LEU 111  24.915   3.646   3.381
 1996   1HD1  LEU 111          1HD1      LEU 111  22.755   3.348   2.349
 1997   2HD1  LEU 111          2HD1      LEU 111  23.772   2.004   1.830
 1998   3HD1  LEU 111          3HD1      LEU 111  23.467   3.352   0.735
 1999   1HD2  LEU 111          1HD2      LEU 111  25.964   2.181   1.427
 2000   2HD2  LEU 111          2HD2      LEU 111  26.953   3.338   2.318
 2001   3HD2  LEU 111          3HD2      LEU 111  26.309   3.766   0.733
 2002    H    SER 112           H        SER 112  23.568   4.235   4.812
 2003    HA   SER 112           HA       SER 112  24.018   5.972   7.044
 2004   1HB   SER 112          1HB       SER 112  24.456   2.992   6.625
 2005   2HB   SER 112          2HB       SER 112  24.397   3.779   8.202
 2006    HG   SER 112           HG       SER 112  22.303   4.040   8.023
 2007    H    ARG 113           H        ARG 113  26.068   4.737   8.500
 2008    HA   ARG 113           HA       ARG 113  28.382   6.153   7.810
 2009   1HB   ARG 113          1HB       ARG 113  27.504   4.236   9.708
 2010   2HB   ARG 113          2HB       ARG 113  29.024   3.624   9.059
 2011   1HG   ARG 113          1HG       ARG 113  29.942   5.018  10.621
 2012   2HG   ARG 113          2HG       ARG 113  29.659   6.247   9.388
 2013   1HD   ARG 113          1HD       ARG 113  27.199   6.098  10.657
 2014   2HD   ARG 113          2HD       ARG 113  28.348   5.898  11.994
 2015    HE   ARG 113           HE       ARG 113  28.030   8.297  10.350
 2016   1HH1  ARG 113          1HH1      ARG 113  30.209   6.400  12.292
 2017   2HH1  ARG 113          2HH1      ARG 113  31.232   7.747  12.656
 2018   1HH2  ARG 113          1HH2      ARG 113  29.373  10.029  10.836
 2019   2HH2  ARG 113          2HH2      ARG 113  30.764   9.786  11.839
 2020    HA   PRO 114           HA       PRO 114  29.392   3.824   4.063
 2021   1HB   PRO 114          1HB       PRO 114  31.800   5.568   4.151
 2022   2HB   PRO 114          2HB       PRO 114  30.626   5.343   2.843
 2023   1HG   PRO 114          1HG       PRO 114  30.710   7.575   4.333
 2024   2HG   PRO 114          2HG       PRO 114  29.200   6.927   3.676
 2025   1HD   PRO 114          1HD       PRO 114  30.245   6.845   6.461
 2026   2HD   PRO 114          2HD       PRO 114  28.570   6.959   5.880
 2027    H    ARG 115           H        ARG 115  29.912   1.853   5.183
 2028    HA   ARG 115           HA       ARG 115  32.825   1.537   5.770
 2029   1HB   ARG 115          1HB       ARG 115  30.426   0.939   7.514
 2030   2HB   ARG 115          2HB       ARG 115  31.961   0.108   7.765
 2031   1HG   ARG 115          1HG       ARG 115  33.106   2.221   8.119
 2032   2HG   ARG 115          2HG       ARG 115  31.651   3.124   7.698
 2033   1HD   ARG 115          1HD       ARG 115  31.731   3.089  10.104
 2034   2HD   ARG 115          2HD       ARG 115  30.515   1.879   9.653
 2035    HE   ARG 115           HE       ARG 115  32.928   0.484   9.646
 2036   1HH1  ARG 115          1HH1      ARG 115  31.161   2.408  11.948
 2037   2HH1  ARG 115          2HH1      ARG 115  31.773   1.537  13.311
 2038   1HH2  ARG 115          1HH2      ARG 115  33.708  -0.630  11.431
 2039   2HH2  ARG 115          2HH2      ARG 115  33.204  -0.171  13.023
 2040    H    LEU 116           H        LEU 116  29.733  -0.278   5.646
 2041    HA   LEU 116           HA       LEU 116  29.251  -2.403   4.736
 2042   1HB   LEU 116          1HB       LEU 116  30.426  -0.633   2.893
 2043   2HB   LEU 116          2HB       LEU 116  31.228  -2.178   2.610
 2044    HG   LEU 116           HG       LEU 116  28.563  -2.890   2.937
 2045   1HD1  LEU 116          1HD1      LEU 116  28.429  -0.711   0.916
 2046   2HD1  LEU 116          2HD1      LEU 116  28.388  -0.215   2.607
 2047   3HD1  LEU 116          3HD1      LEU 116  27.172  -1.331   1.986
 2048   1HD2  LEU 116          1HD2      LEU 116  29.241  -3.990   1.095
 2049   2HD2  LEU 116          2HD2      LEU 116  30.595  -2.878   0.897
 2050   3HD2  LEU 116          3HD2      LEU 116  29.034  -2.505   0.166
 2051    H    THR 117           H        THR 117  30.136  -3.807   6.334
 2052    HA   THR 117           HA       THR 117  32.825  -4.418   6.836
 2053    HB   THR 117           HB       THR 117  30.277  -6.068   6.888
 2054    HG1  THR 117           HG1      THR 117  30.411  -4.290   8.293
 2055   1HG2  THR 117          1HG2      THR 117  33.055  -6.747   7.873
 2056   2HG2  THR 117          2HG2      THR 117  32.007  -7.710   6.831
 2057   3HG2  THR 117          3HG2      THR 117  31.609  -7.508   8.539
 2058    H    GLN 118           H        GLN 118  30.925  -6.942   5.250
 2059    HA   GLN 118           HA       GLN 118  31.655  -8.591   3.724
 2060   1HB   GLN 118          1HB       GLN 118  31.861  -7.573   1.528
 2061   2HB   GLN 118          2HB       GLN 118  30.673  -6.669   2.458
 2062   1HG   GLN 118          1HG       GLN 118  32.205  -4.889   2.870
 2063   2HG   GLN 118          2HG       GLN 118  33.581  -5.848   2.328
 2064   1HE2  GLN 118          1HE2      GLN 118  34.273  -4.949   0.378
 2065   2HE2  GLN 118          2HE2      GLN 118  33.252  -4.512  -0.906
 2066    H    ASN 119           H        ASN 119  33.683  -8.284   1.684
 2067    HA   ASN 119           HA       ASN 119  36.185  -8.142   3.326
 2068   1HB   ASN 119          1HB       ASN 119  35.367 -10.471   3.083
 2069   2HB   ASN 119          2HB       ASN 119  35.340 -10.277   1.330
 2070   1HD2  ASN 119          1HD2      ASN 119  37.451 -10.040   0.223
 2071   2HD2  ASN 119          2HD2      ASN 119  38.880 -10.559   0.980
 2072   1H    GLY 201          1H        GLY 201  20.112  41.407   5.908
 2073   2H    GLY 201          2H        GLY 201  20.948  42.450   4.862
 2074   3H    GLY 201          3H        GLY 201  21.612  42.053   6.374
 2075   1HA   GLY 201          1HA       GLY 201  21.094  40.062   4.238
 2076   2HA   GLY 201          2HA       GLY 201  22.648  40.863   4.471
 2077    H    LYS 202           H        LYS 202  21.206  38.037   5.082
 2078    HA   LYS 202           HA       LYS 202  22.888  37.553   7.492
 2079   1HB   LYS 202          1HB       LYS 202  20.387  38.202   7.935
 2080   2HB   LYS 202          2HB       LYS 202  20.034  36.577   7.350
 2081   1HG   LYS 202          1HG       LYS 202  21.064  35.555   9.154
 2082   2HG   LYS 202          2HG       LYS 202  22.181  36.896   9.408
 2083   1HD   LYS 202          1HD       LYS 202  20.079  38.259  10.064
 2084   2HD   LYS 202          2HD       LYS 202  19.278  36.694  10.205
 2085   1HE   LYS 202          1HE       LYS 202  20.226  36.379  12.239
 2086   2HE   LYS 202          2HE       LYS 202  21.842  36.579  11.535
 2087   1HZ   LYS 202          1HZ       LYS 202  20.027  38.863  12.084
 2088   2HZ   LYS 202          2HZ       LYS 202  21.685  38.915  11.721
 2089   3HZ   LYS 202          3HZ       LYS 202  21.163  38.313  13.220
 2090    H    ALA 203           H        ALA 203  23.463  36.689   4.887
 2091    HA   ALA 203           HA       ALA 203  23.555  33.802   5.250
 2092   1HB   ALA 203          1HB       ALA 203  21.180  34.608   4.366
 2093   2HB   ALA 203          2HB       ALA 203  21.933  33.164   3.688
 2094   3HB   ALA 203          3HB       ALA 203  22.025  34.697   2.821
 2095    HA   PRO 204           HA       PRO 204  26.714  35.875   2.493
 2096   1HB   PRO 204          1HB       PRO 204  28.886  34.775   3.824
 2097   2HB   PRO 204          2HB       PRO 204  28.201  36.370   4.186
 2098   1HG   PRO 204          1HG       PRO 204  27.825  33.776   5.590
 2099   2HG   PRO 204          2HG       PRO 204  27.940  35.412   6.253
 2100   1HD   PRO 204          1HD       PRO 204  25.590  34.071   5.986
 2101   2HD   PRO 204          2HD       PRO 204  25.712  35.841   5.912
 2102    H    ARG 205           H        ARG 205  26.932  32.623   3.990
 2103    HA   ARG 205           HA       ARG 205  27.150  31.459   1.253
 2104   1HB   ARG 205          1HB       ARG 205  29.102  30.132   2.031
 2105   2HB   ARG 205          2HB       ARG 205  29.429  31.861   2.147
 2106   1HG   ARG 205          1HG       ARG 205  28.168  30.983   4.577
 2107   2HG   ARG 205          2HG       ARG 205  29.538  29.928   4.229
 2108   1HD   ARG 205          1HD       ARG 205  30.228  32.707   3.708
 2109   2HD   ARG 205          2HD       ARG 205  29.672  32.487   5.378
 2110    HE   ARG 205           HE       ARG 205  32.096  31.348   4.225
 2111   1HH1  ARG 205          1HH1      ARG 205  29.552  30.889   6.557
 2112   2HH1  ARG 205          2HH1      ARG 205  30.511  29.861   7.564
 2113   1HH2  ARG 205          1HH2      ARG 205  33.320  30.011   5.549
 2114   2HH2  ARG 205          2HH2      ARG 205  32.628  29.366   7.000
 2115    H    LYS 206           H        LYS 206  24.819  31.265   2.618
 2116    HA   LYS 206           HA       LYS 206  24.873  28.485   3.747
 2117   1HB   LYS 206          1HB       LYS 206  23.502  31.031   4.614
 2118   2HB   LYS 206          2HB       LYS 206  22.828  29.466   5.066
 2119   1HG   LYS 206          1HG       LYS 206  25.352  28.986   5.772
 2120   2HG   LYS 206          2HG       LYS 206  25.396  30.744   5.913
 2121   1HD   LYS 206          1HD       LYS 206  23.270  29.018   7.209
 2122   2HD   LYS 206          2HD       LYS 206  24.735  29.541   8.038
 2123   1HE   LYS 206          1HE       LYS 206  23.991  31.705   8.246
 2124   2HE   LYS 206          2HE       LYS 206  23.189  31.683   6.663
 2125   1HZ   LYS 206          1HZ       LYS 206  21.447  30.333   7.539
 2126   2HZ   LYS 206          2HZ       LYS 206  21.634  31.644   8.603
 2127   3HZ   LYS 206          3HZ       LYS 206  22.259  30.120   9.016
 2128    H    GLN 207           H        GLN 207  22.883  27.260   3.346
 2129    HA   GLN 207           HA       GLN 207  20.884  28.364   1.488
 2130   1HB   GLN 207          1HB       GLN 207  23.240  27.302   0.480
 2131   2HB   GLN 207          2HB       GLN 207  22.138  25.927   0.409
 2132   1HG   GLN 207          1HG       GLN 207  21.358  26.832  -1.512
 2133   2HG   GLN 207          2HG       GLN 207  20.585  28.048  -0.495
 2134   1HE2  GLN 207          1HE2      GLN 207  21.129  30.150  -1.084
 2135   2HE2  GLN 207          2HE2      GLN 207  22.589  30.616  -1.812
 2136    H    LEU 208           H        LEU 208  19.161  26.712   1.046
 2137    HA   LEU 208           HA       LEU 208  19.080  24.609   3.189
 2138   1HB   LEU 208          1HB       LEU 208  17.435  26.883   2.636
 2139   2HB   LEU 208          2HB       LEU 208  16.476  25.442   2.296
 2140    HG   LEU 208           HG       LEU 208  18.032  25.916   4.857
 2141   1HD1  LEU 208          1HD1      LEU 208  15.172  26.401   4.063
 2142   2HD1  LEU 208          2HD1      LEU 208  16.246  27.419   5.022
 2143   3HD1  LEU 208          3HD1      LEU 208  15.555  25.957   5.726
 2144   1HD2  LEU 208          1HD2      LEU 208  17.784  23.676   5.046
 2145   2HD2  LEU 208          2HD2      LEU 208  16.698  23.607   3.658
 2146   3HD2  LEU 208          3HD2      LEU 208  16.061  23.992   5.257
 2147    H    ALA 209           H        ALA 209  19.483  22.727   2.034
 2148    HA   ALA 209           HA       ALA 209  17.475  21.808   0.130
 2149   1HB   ALA 209          1HB       ALA 209  18.499  22.735  -1.679
 2150   2HB   ALA 209          2HB       ALA 209  19.794  21.565  -1.423
 2151   3HB   ALA 209          3HB       ALA 209  19.915  23.180  -0.726
 2152    H    THR 210           H        THR 210  17.526  20.132   1.848
 2153    HA   THR 210           HA       THR 210  19.911  18.322   1.648
 2154    HB   THR 210           HB       THR 210  17.840  18.393   3.854
 2155    HG1  THR 210           HG1      THR 210  20.254  19.868   3.775
 2156   1HG2  THR 210          1HG2      THR 210  19.309  17.066   5.004
 2157   2HG2  THR 210          2HG2      THR 210  20.724  17.873   4.329
 2158   3HG2  THR 210          3HG2      THR 210  19.867  16.657   3.382
 2159    H    LYS 211           H        LYS 211  16.442  18.591   1.298
 2160    HA   LYS 211           HA       LYS 211  16.346  15.690   0.536
 2161   1HB   LYS 211          1HB       LYS 211  14.977  17.184   2.582
 2162   2HB   LYS 211          2HB       LYS 211  13.792  16.634   1.397
 2163   1HG   LYS 211          1HG       LYS 211  14.019  14.470   2.027
 2164   2HG   LYS 211          2HG       LYS 211  15.779  14.583   2.062
 2165   1HD   LYS 211          1HD       LYS 211  13.999  15.745   4.219
 2166   2HD   LYS 211          2HD       LYS 211  14.698  14.129   4.312
 2167   1HE   LYS 211          1HE       LYS 211  16.716  16.113   3.597
 2168   2HE   LYS 211          2HE       LYS 211  15.939  16.493   5.146
 2169   1HZ   LYS 211          1HZ       LYS 211  17.700  14.929   5.543
 2170   2HZ   LYS 211          2HZ       LYS 211  17.127  13.891   4.327
 2171   3HZ   LYS 211          3HZ       LYS 211  16.222  14.118   5.746
 2172    H    ALA 212           H        ALA 212  16.159  15.746  -1.683
 2173    HA   ALA 212           HA       ALA 212  14.070  17.562  -2.838
 2174   1HB   ALA 212          1HB       ALA 212  16.948  17.077  -3.513
 2175   2HB   ALA 212          2HB       ALA 212  16.027  18.580  -3.573
 2176   3HB   ALA 212          3HB       ALA 212  15.839  17.378  -4.851
 2177    H    ALA 213           H        ALA 213  16.185  14.853  -3.877
 2178    HA   ALA 213           HA       ALA 213  13.947  13.713  -5.442
 2179   1HB   ALA 213          1HB       ALA 213  16.279  12.077  -5.451
 2180   2HB   ALA 213          2HB       ALA 213  16.833  13.752  -5.454
 2181   3HB   ALA 213          3HB       ALA 213  15.743  13.181  -6.718
 2182    H    ARG 214           H        ARG 214  14.074  11.095  -5.279
 2183    HA   ARG 214           HA       ARG 214  14.045  10.350  -2.376
 2184   1HB   ARG 214          1HB       ARG 214  12.005   9.629  -4.516
 2185   2HB   ARG 214          2HB       ARG 214  11.915   9.192  -2.810
 2186   1HG   ARG 214          1HG       ARG 214  12.252  11.909  -2.658
 2187   2HG   ARG 214          2HG       ARG 214  11.289  11.755  -4.128
 2188   1HD   ARG 214          1HD       ARG 214   9.472  10.814  -2.994
 2189   2HD   ARG 214          2HD       ARG 214  10.487  10.203  -1.674
 2190    HE   ARG 214           HE       ARG 214  10.326  12.333  -0.652
 2191   1HH1  ARG 214          1HH1      ARG 214   9.448  12.504  -4.016
 2192   2HH1  ARG 214          2HH1      ARG 214   8.953  14.158  -3.916
 2193   1HH2  ARG 214          1HH2      ARG 214   9.677  14.480  -0.547
 2194   2HH2  ARG 214          2HH2      ARG 214   9.081  15.270  -1.968
 2195   1HN   MLZ 215          1HN       MLZ 215  13.040   7.661  -3.141
 2196    HA   MLZ 215           HA       MLZ 215  15.521   6.304  -3.514
 2197   1HB   MLZ 215          1HB       MLZ 215  12.588   5.623  -3.716
 2198   2HB   MLZ 215          2HB       MLZ 215  13.802   4.404  -4.101
 2199   1HG   MLZ 215          1HG       MLZ 215  13.764   5.976  -1.510
 2200   2HG   MLZ 215          2HG       MLZ 215  14.780   4.588  -1.897
 2201   1HD   MLZ 215          1HD       MLZ 215  11.772   4.620  -1.538
 2202   2HD   MLZ 215          2HD       MLZ 215  12.653   3.243  -2.197
 2203   1HE   MLZ 215          1HE       MLZ 215  13.824   4.270   0.300
 2204   2HE   MLZ 215          2HE       MLZ 215  13.380   2.609  -0.136
 2205    HZ   MLZ 215           HZ       MLZ 215  11.087   3.100   0.272
 2206   1HCM  MLZ 215          1HCM      MLZ 215  11.954   2.442   2.265
 2207   2HCM  MLZ 215          2HCM      MLZ 215  11.317   4.033   2.681
 2208   3HCM  MLZ 215          3HCM      MLZ 215  13.035   3.833   2.341
 2209    H    SER 216           H        SER 216  16.687   6.021  -5.369
 2210    HA   SER 216           HA       SER 216  17.201   5.837  -7.667
 2211   1HB   SER 216          1HB       SER 216  14.996   7.464  -8.617
 2212   2HB   SER 216          2HB       SER 216  15.649   8.146  -7.127
 2213    HG   SER 216           HG       SER 216  16.755   8.888  -8.990
 2214    H    ALA 217           H        ALA 217  15.871   5.525  -9.931
 2215    HA   ALA 217           HA       ALA 217  13.945   3.298  -9.382
 2216   1HB   ALA 217          1HB       ALA 217  13.662   5.825 -10.948
 2217   2HB   ALA 217          2HB       ALA 217  12.439   4.920 -10.054
 2218   3HB   ALA 217          3HB       ALA 217  12.946   4.375 -11.653
 2219    HA   PRO 218           HA       PRO 218  16.070   0.900 -12.371
 2220   1HB   PRO 218          1HB       PRO 218  13.649   0.646 -14.078
 2221   2HB   PRO 218          2HB       PRO 218  14.586  -0.620 -13.266
 2222   1HG   PRO 218          1HG       PRO 218  12.155   0.144 -12.415
 2223   2HG   PRO 218          2HG       PRO 218  13.420  -0.409 -11.310
 2224   1HD   PRO 218          1HD       PRO 218  12.433   2.348 -11.830
 2225   2HD   PRO 218          2HD       PRO 218  13.051   1.628 -10.328
 2226    H    ALA 219           H        ALA 219  14.045   3.504 -13.622
 2227    HA   ALA 219           HA       ALA 219  14.350   4.953 -15.464
 2228   1HB   ALA 219          1HB       ALA 219  16.416   5.266 -14.039
 2229   2HB   ALA 219          2HB       ALA 219  16.684   5.602 -15.749
 2230   3HB   ALA 219          3HB       ALA 219  17.232   4.077 -15.054
 2231    H    THR 220           H        THR 220  13.278   3.569 -17.028
 2232    HA   THR 220           HA       THR 220  14.352   1.351 -18.383
 2233    HB   THR 220           HB       THR 220  12.804   2.276 -20.256
 2234    HG1  THR 220           HG1      THR 220  11.627   4.063 -19.693
 2235   1HG2  THR 220          1HG2      THR 220  12.126   1.516 -17.461
 2236   2HG2  THR 220          2HG2      THR 220  11.666   0.746 -18.979
 2237   3HG2  THR 220          3HG2      THR 220  10.815   2.190 -18.429
 2238    H    GLY 221           H        GLY 221  14.842   1.567 -20.918
 2239   1HA   GLY 221          1HA       GLY 221  17.321   3.102 -21.113
 2240   2HA   GLY 221          2HA       GLY 221  16.656   2.048 -22.360
 2241   1HN   SAH 301          1HN       SAH 301 -11.049  -1.468  -7.274
 2242   2HN   SAH 301          2HN       SAH 301  -9.798  -1.022  -8.335
 2243    HA   SAH 301           HA       SAH 301 -10.180   1.355  -7.417
 2244   1HB   SAH 301          1HB       SAH 301 -11.662  -0.542  -5.609
 2245   2HB   SAH 301          2HB       SAH 301 -10.929   0.904  -4.920
 2246   1HG   SAH 301          1HG       SAH 301 -13.421   0.748  -6.195
 2247   2HG   SAH 301          2HG       SAH 301 -12.363   1.511  -7.381
 2248   1H5*  SAH 301          1H5*      SAH 301 -14.823   2.009  -5.589
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.666   3.140  -4.247
 2250    H4*  SAH 301           H4*      SAH 301 -14.114   4.762  -6.278
 2251    H3*  SAH 301           H3*      SAH 301 -16.313   4.186  -4.506
 2252   *HO3  SAH 301          *HO3      SAH 301 -16.686   6.530  -5.353
 2253    H2*  SAH 301           H2*      SAH 301 -18.031   3.890  -5.907
 2254   *HO2  SAH 301          *HO2      SAH 301 -17.361   6.007  -7.605
 2255    H1*  SAH 301           H1*      SAH 301 -16.845   4.326  -8.495
 2256    H8   SAH 301           H8       SAH 301 -16.426   1.103  -6.460
 2257   1HN6  SAH 301          1HN6      SAH 301 -21.207  -1.113  -9.361
 2258   2HN6  SAH 301          2HN6      SAH 301 -20.708  -1.067  -7.686
 2259    H2   SAH 301           H2       SAH 301 -20.877   3.327 -10.482
 2260   1HN   SAH 302          1HN       SAH 302  11.113  -1.444   7.287
 2261   2HN   SAH 302          2HN       SAH 302   9.869  -1.007   8.358
 2262    HA   SAH 302           HA       SAH 302  10.235   1.372   7.439
 2263   1HB   SAH 302          1HB       SAH 302  11.713  -0.520   5.621
 2264   2HB   SAH 302          2HB       SAH 302  10.969   0.924   4.935
 2265   1HG   SAH 302          1HG       SAH 302  13.470   0.779   6.193
 2266   2HG   SAH 302          2HG       SAH 302  12.417   1.537   7.388
 2267   1H5*  SAH 302          1H5*      SAH 302  14.862   2.045   5.579
 2268   2H5*  SAH 302          2H5*      SAH 302  14.690   3.176   4.238
 2269    H4*  SAH 302           H4*      SAH 302  14.147   4.796   6.273
 2270    H3*  SAH 302           H3*      SAH 302  16.336   4.229   4.487
 2271   *HO3  SAH 302          *HO3      SAH 302  16.704   6.574   5.332
 2272    H2*  SAH 302           H2*      SAH 302  18.065   3.940   5.876
 2273   *HO2  SAH 302          *HO2      SAH 302  17.398   6.054   7.579
 2274    H1*  SAH 302           H1*      SAH 302  16.895   4.370   8.471
 2275    H8   SAH 302           H8       SAH 302  16.475   1.145   6.438
 2276   1HN6  SAH 302          1HN6      SAH 302  21.284  -1.051   9.306
 2277   2HN6  SAH 302          2HN6      SAH 302  20.774  -1.007   7.634
 2278    H2   SAH 302           H2       SAH 302  20.943   3.388  10.431
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1   1.743 -11.213  -8.985
    2   2H    MET   1          2H        MET   1   1.966 -11.879  -7.439
    3   3H    MET   1          3H        MET   1   2.289 -10.234  -7.709
    4    HA   MET   1           HA       MET   1   0.216 -10.216  -6.651
    5   1HB   MET   1          1HB       MET   1   0.674  -9.322  -9.213
    6   2HB   MET   1          2HB       MET   1  -0.804 -10.260  -9.429
    7   1HG   MET   1          1HG       MET   1  -1.428  -7.983  -8.870
    8   2HG   MET   1          2HG       MET   1  -1.797  -9.009  -7.483
    9   1HE   MET   1          1HE       MET   1  -1.450  -6.080  -8.122
   10   2HE   MET   1          2HE       MET   1  -0.092  -5.216  -7.402
   11   3HE   MET   1          3HE       MET   1  -1.397  -5.817  -6.379
   12    H    PHE   2           H        PHE   2  -2.223 -10.924  -8.128
   13    HA   PHE   2           HA       PHE   2  -3.829 -12.637  -7.849
   14   1HB   PHE   2          1HB       PHE   2  -3.169 -14.589  -9.375
   15   2HB   PHE   2          2HB       PHE   2  -3.141 -12.986 -10.101
   16    HD1  PHE   2           HD1      PHE   2  -1.106 -15.816  -8.934
   17    HD2  PHE   2           HD2      PHE   2  -1.027 -11.877 -10.645
   18    HE1  PHE   2           HE1      PHE   2   1.272 -16.135  -9.559
   19    HE2  PHE   2           HE2      PHE   2   1.351 -12.197 -11.271
   20    HZ   PHE   2           HZ       PHE   2   2.500 -14.325 -10.728
   21    H    ASN   3           H        ASN   3  -3.804 -13.173  -5.628
   22    HA   ASN   3           HA       ASN   3  -1.871 -15.186  -4.645
   23   1HB   ASN   3          1HB       ASN   3  -3.913 -13.292  -3.563
   24   2HB   ASN   3          2HB       ASN   3  -3.574 -14.728  -2.596
   25   1HD2  ASN   3          1HD2      ASN   3  -1.601 -14.775  -1.430
   26   2HD2  ASN   3          2HD2      ASN   3  -0.422 -13.558  -1.523
   27    H    ASP   4           H        ASP   4  -2.465 -17.304  -4.065
   28    HA   ASP   4           HA       ASP   4  -4.383 -18.719  -5.509
   29   1HB   ASP   4          1HB       ASP   4  -2.451 -19.480  -3.982
   30   2HB   ASP   4          2HB       ASP   4  -3.599 -19.344  -2.649
   31    H    ARG   5           H        ARG   5  -4.790 -17.318  -2.238
   32    HA   ARG   5           HA       ARG   5  -7.490 -18.234  -1.874
   33   1HB   ARG   5          1HB       ARG   5  -6.009 -15.844  -0.717
   34   2HB   ARG   5          2HB       ARG   5  -7.432 -16.613  -0.014
   35   1HG   ARG   5          1HG       ARG   5  -5.589 -18.698  -0.479
   36   2HG   ARG   5          2HG       ARG   5  -4.651 -17.379   0.219
   37   1HD   ARG   5          1HD       ARG   5  -5.590 -17.704   2.263
   38   2HD   ARG   5          2HD       ARG   5  -7.224 -17.723   1.573
   39    HE   ARG   5           HE       ARG   5  -5.719 -20.123   0.906
   40   1HH1  ARG   5          1HH1      ARG   5  -7.646 -18.564   3.351
   41   2HH1  ARG   5          2HH1      ARG   5  -8.153 -20.058   4.059
   42   1HH2  ARG   5          1HH2      ARG   5  -6.390 -22.048   1.843
   43   2HH2  ARG   5          2HH2      ARG   5  -7.449 -22.017   3.214
   44    H    VAL   6           H        VAL   6  -6.117 -15.235  -3.212
   45    HA   VAL   6           HA       VAL   6  -8.740 -14.645  -4.473
   46    HB   VAL   6           HB       VAL   6  -7.240 -12.752  -2.622
   47   1HG1  VAL   6          1HG1      VAL   6  -9.824 -11.807  -3.065
   48   2HG1  VAL   6          2HG1      VAL   6  -9.303 -12.371  -4.653
   49   3HG1  VAL   6          3HG1      VAL   6  -8.348 -11.166  -3.788
   50   1HG2  VAL   6          1HG2      VAL   6  -9.766 -14.383  -2.291
   51   2HG2  VAL   6          2HG2      VAL   6  -9.402 -12.988  -1.276
   52   3HG2  VAL   6          3HG2      VAL   6  -8.331 -14.389  -1.266
   53    H    ILE   7           H        ILE   7  -8.464 -13.557  -6.438
   54    HA   ILE   7           HA       ILE   7  -5.638 -12.860  -7.162
   55    HB   ILE   7           HB       ILE   7  -6.734 -14.779  -8.332
   56   1HG1  ILE   7          1HG1      ILE   7  -6.523 -12.501 -10.294
   57   2HG1  ILE   7          2HG1      ILE   7  -5.097 -13.080  -9.432
   58   1HG2  ILE   7          1HG2      ILE   7  -8.688 -12.627  -9.197
   59   2HG2  ILE   7          2HG2      ILE   7  -9.054 -14.051  -8.224
   60   3HG2  ILE   7          3HG2      ILE   7  -8.598 -14.234  -9.917
   61   1HD1  ILE   7          1HD1      ILE   7  -5.342 -14.226 -11.607
   62   2HD1  ILE   7          2HD1      ILE   7  -6.945 -14.785 -11.132
   63   3HD1  ILE   7          3HD1      ILE   7  -5.518 -15.364 -10.272
   64    H    VAL   8           H        VAL   8  -5.314 -10.935  -8.439
   65    HA   VAL   8           HA       VAL   8  -7.317  -8.819  -7.921
   66    HB   VAL   8           HB       VAL   8  -4.513  -8.876  -9.098
   67   1HG1  VAL   8          1HG1      VAL   8  -6.097  -6.448  -8.218
   68   2HG1  VAL   8          2HG1      VAL   8  -5.992  -6.968  -9.900
   69   3HG1  VAL   8          3HG1      VAL   8  -4.535  -6.473  -9.037
   70   1HG2  VAL   8          1HG2      VAL   8  -3.934  -7.805  -6.918
   71   2HG2  VAL   8          2HG2      VAL   8  -4.587  -9.432  -6.721
   72   3HG2  VAL   8          3HG2      VAL   8  -5.604  -8.028  -6.398
   73    H    LYS   9           H        LYS   9  -8.682  -8.053  -9.496
   74    HA   LYS   9           HA       LYS   9  -8.006  -8.496 -12.336
   75   1HB   LYS   9          1HB       LYS   9 -10.175  -9.719 -10.776
   76   2HB   LYS   9          2HB       LYS   9 -10.530  -9.291 -12.439
   77   1HG   LYS   9          1HG       LYS   9  -8.668 -10.645 -13.214
   78   2HG   LYS   9          2HG       LYS   9  -8.152 -10.952 -11.557
   79   1HD   LYS   9          1HD       LYS   9 -10.116 -12.246 -11.093
   80   2HD   LYS   9          2HD       LYS   9 -10.876 -11.746 -12.604
   81   1HE   LYS   9          1HE       LYS   9  -8.801 -12.835 -13.739
   82   2HE   LYS   9          2HE       LYS   9  -8.589 -13.668 -12.188
   83   1HZ   LYS   9          1HZ       LYS   9 -11.188 -13.537 -13.621
   84   2HZ   LYS   9          2HZ       LYS   9 -10.778 -14.528 -12.304
   85   3HZ   LYS   9          3HZ       LYS   9 -10.094 -14.820 -13.830
   86    H    LYS  10           H        LYS  10  -9.663  -5.345 -12.838
   87    HA   LYS  10           HA       LYS  10  -7.993  -5.646 -14.434
   88   1HB   LYS  10          1HB       LYS  10  -7.023  -6.491 -11.882
   89   2HB   LYS  10          2HB       LYS  10  -6.356  -7.578 -13.100
   90   1HG   LYS  10          1HG       LYS  10  -4.880  -5.642 -12.820
   91   2HG   LYS  10          2HG       LYS  10  -5.620  -5.602 -14.421
   92   1HD   LYS  10          1HD       LYS  10  -7.439  -4.123 -13.341
   93   2HD   LYS  10          2HD       LYS  10  -6.314  -3.942 -11.995
   94   1HE   LYS  10          1HE       LYS  10  -4.921  -2.575 -13.195
   95   2HE   LYS  10          2HE       LYS  10  -5.132  -3.515 -14.685
   96   1HZ   LYS  10          1HZ       LYS  10  -7.125  -1.669 -13.467
   97   2HZ   LYS  10          2HZ       LYS  10  -7.397  -2.622 -14.846
   98   3HZ   LYS  10          3HZ       LYS  10  -6.239  -1.380 -14.887
   99    H    SER  11           H        SER  11  -9.983  -6.936 -15.378
  100    HA   SER  11           HA       SER  11  -8.876  -9.456 -16.427
  101   1HB   SER  11          1HB       SER  11  -9.937 -10.525 -14.677
  102   2HB   SER  11          2HB       SER  11 -11.130  -9.242 -14.479
  103    HG   SER  11           HG       SER  11 -12.071 -11.112 -15.352
  104    HA   PRO  12           HA       PRO  12 -12.826  -8.461 -18.973
  105   1HB   PRO  12          1HB       PRO  12 -14.188  -6.150 -18.187
  106   2HB   PRO  12          2HB       PRO  12 -14.688  -7.803 -17.789
  107   1HG   PRO  12          1HG       PRO  12 -13.221  -5.812 -16.140
  108   2HG   PRO  12          2HG       PRO  12 -14.434  -7.005 -15.655
  109   1HD   PRO  12          1HD       PRO  12 -11.805  -7.347 -15.183
  110   2HD   PRO  12          2HD       PRO  12 -12.888  -8.710 -15.521
  111    H    LEU  13           H        LEU  13 -13.580  -5.964 -20.028
  112    HA   LEU  13           HA       LEU  13 -11.270  -5.132 -21.441
  113   1HB   LEU  13          1HB       LEU  13 -14.042  -4.600 -21.329
  114   2HB   LEU  13          2HB       LEU  13 -13.257  -3.033 -21.136
  115    HG   LEU  13           HG       LEU  13 -12.315  -4.933 -23.269
  116   1HD1  LEU  13          1HD1      LEU  13 -14.941  -4.250 -23.189
  117   2HD1  LEU  13          2HD1      LEU  13 -14.045  -4.469 -24.693
  118   3HD1  LEU  13          3HD1      LEU  13 -14.284  -2.850 -24.036
  119   1HD2  LEU  13          1HD2      LEU  13 -12.125  -2.453 -24.289
  120   2HD2  LEU  13          2HD2      LEU  13 -10.875  -3.138 -23.251
  121   3HD2  LEU  13          3HD2      LEU  13 -12.082  -2.044 -22.574
  122    H    GLY  14           H        GLY  14 -12.603  -4.015 -18.366
  123   1HA   GLY  14          1HA       GLY  14 -10.123  -2.783 -17.589
  124   2HA   GLY  14          2HA       GLY  14 -11.281  -1.548 -18.084
  125    H    GLY  15           H        GLY  15 -10.208  -2.070 -15.382
  126   1HA   GLY  15          1HA       GLY  15 -12.080  -1.429 -13.619
  127   2HA   GLY  15          2HA       GLY  15 -12.597  -3.085 -13.935
  128    H    TYR  16           H        TYR  16 -11.504  -1.885 -11.428
  129    HA   TYR  16           HA       TYR  16  -9.249  -3.818 -11.056
  130   1HB   TYR  16          1HB       TYR  16  -8.895  -1.143 -11.324
  131   2HB   TYR  16          2HB       TYR  16  -9.210  -1.223  -9.590
  132    HD1  TYR  16           HD1      TYR  16  -6.590  -0.955 -11.675
  133    HD2  TYR  16           HD2      TYR  16  -8.051  -3.700  -8.711
  134    HE1  TYR  16           HE1      TYR  16  -4.279  -1.767 -11.287
  135    HE2  TYR  16           HE2      TYR  16  -5.740  -4.511  -8.323
  136    HH   TYR  16           HH       TYR  16  -3.539  -4.569  -9.813
  137    H    GLY  17           H        GLY  17 -10.794  -5.218  -9.975
  138   1HA   GLY  17          1HA       GLY  17 -11.477  -4.272  -7.225
  139   2HA   GLY  17          2HA       GLY  17 -12.667  -5.158  -8.180
  140    H    VAL  18           H        VAL  18 -12.377  -6.621  -6.115
  141    HA   VAL  18           HA       VAL  18  -9.969  -8.371  -6.427
  142    HB   VAL  18           HB       VAL  18 -12.056  -8.044  -4.240
  143   1HG1  VAL  18          1HG1      VAL  18 -10.534  -9.476  -2.902
  144   2HG1  VAL  18          2HG1      VAL  18  -9.520  -9.709  -4.325
  145   3HG1  VAL  18          3HG1      VAL  18 -11.166 -10.339  -4.304
  146   1HG2  VAL  18          1HG2      VAL  18  -9.607  -7.381  -3.197
  147   2HG2  VAL  18          2HG2      VAL  18 -10.772  -6.214  -3.824
  148   3HG2  VAL  18          3HG2      VAL  18  -9.459  -6.789  -4.852
  149    H    PHE  19           H        PHE  19 -10.216 -10.533  -6.995
  150    HA   PHE  19           HA       PHE  19 -12.999 -11.420  -7.666
  151   1HB   PHE  19          1HB       PHE  19 -10.321 -11.619  -8.900
  152   2HB   PHE  19          2HB       PHE  19 -11.245 -13.121  -8.941
  153    HD1  PHE  19           HD1      PHE  19 -12.113  -9.477  -9.247
  154    HD2  PHE  19           HD2      PHE  19 -12.357 -13.406 -10.966
  155    HE1  PHE  19           HE1      PHE  19 -13.481  -8.577 -11.109
  156    HE2  PHE  19           HE2      PHE  19 -13.725 -12.506 -12.828
  157    HZ   PHE  19           HZ       PHE  19 -14.285 -10.091 -12.901
  158    H    ALA  20           H        ALA  20 -13.805 -12.995  -6.350
  159    HA   ALA  20           HA       ALA  20 -12.017 -14.331  -4.424
  160   1HB   ALA  20          1HB       ALA  20 -13.916 -14.079  -3.217
  161   2HB   ALA  20          2HB       ALA  20 -14.729 -15.219  -4.289
  162   3HB   ALA  20          3HB       ALA  20 -14.758 -13.494  -4.653
  163    H    ARG  21           H        ARG  21 -10.873 -15.938  -5.585
  164    HA   ARG  21           HA       ARG  21 -12.105 -17.760  -7.469
  165   1HB   ARG  21          1HB       ARG  21  -9.537 -17.247  -6.162
  166   2HB   ARG  21          2HB       ARG  21  -9.850 -18.975  -6.325
  167   1HG   ARG  21          1HG       ARG  21  -9.583 -18.914  -8.572
  168   2HG   ARG  21          2HG       ARG  21 -10.564 -17.457  -8.729
  169   1HD   ARG  21          1HD       ARG  21  -8.733 -16.064  -8.624
  170   2HD   ARG  21          2HD       ARG  21  -7.878 -17.113  -7.477
  171    HE   ARG  21           HE       ARG  21  -7.774 -17.316 -10.393
  172   1HH1  ARG  21          1HH1      ARG  21  -7.527 -19.034  -7.375
  173   2HH1  ARG  21          2HH1      ARG  21  -6.548 -20.292  -8.046
  174   1HH2  ARG  21          1HH2      ARG  21  -6.503 -18.961 -11.239
  175   2HH2  ARG  21          2HH2      ARG  21  -5.972 -20.253 -10.216
  176    H    LYS  22           H        LYS  22 -11.986 -17.564  -4.006
  177    HA   LYS  22           HA       LYS  22 -12.728 -20.412  -3.626
  178   1HB   LYS  22          1HB       LYS  22 -12.392 -18.129  -1.637
  179   2HB   LYS  22          2HB       LYS  22 -12.368 -19.850  -1.273
  180   1HG   LYS  22          1HG       LYS  22 -10.425 -19.406  -3.298
  181   2HG   LYS  22          2HG       LYS  22 -10.178 -18.180  -2.054
  182   1HD   LYS  22          1HD       LYS  22  -9.842 -19.793  -0.365
  183   2HD   LYS  22          2HD       LYS  22 -10.598 -21.072  -1.313
  184   1HE   LYS  22          1HE       LYS  22  -8.444 -20.137  -2.884
  185   2HE   LYS  22          2HE       LYS  22  -7.813 -20.303  -1.236
  186   1HZ   LYS  22          1HZ       LYS  22  -9.022 -22.488  -1.168
  187   2HZ   LYS  22          2HZ       LYS  22  -7.694 -22.444  -2.225
  188   3HZ   LYS  22          3HZ       LYS  22  -9.273 -22.334  -2.841
  189    H    SER  23           H        SER  23 -16.067 -19.617  -2.229
  190    HA   SER  23           HA       SER  23 -13.575 -21.234  -1.914
  191   1HB   SER  23          1HB       SER  23 -15.535 -22.478  -2.567
  192   2HB   SER  23          2HB       SER  23 -15.281 -22.818  -0.855
  193    HG   SER  23           HG       SER  23 -17.173 -22.024  -0.519
  194    H    PHE  24           H        PHE  24 -15.606 -18.937  -0.288
  195    HA   PHE  24           HA       PHE  24 -14.041 -19.395   2.228
  196   1HB   PHE  24          1HB       PHE  24 -15.193 -16.980   0.820
  197   2HB   PHE  24          2HB       PHE  24 -14.732 -16.902   2.520
  198    HD1  PHE  24           HD1      PHE  24 -13.558 -15.862  -0.427
  199    HD2  PHE  24           HD2      PHE  24 -12.354 -18.545   2.704
  200    HE1  PHE  24           HE1      PHE  24 -11.186 -15.564  -1.085
  201    HE2  PHE  24           HE2      PHE  24  -9.981 -18.248   2.046
  202    HZ   PHE  24           HZ       PHE  24  -9.398 -16.756   0.151
  203    H    GLU  25           H        GLU  25 -15.245 -18.761   4.248
  204    HA   GLU  25           HA       GLU  25 -18.101 -19.628   4.057
  205   1HB   GLU  25          1HB       GLU  25 -15.915 -20.432   5.612
  206   2HB   GLU  25          2HB       GLU  25 -16.889 -19.456   6.713
  207   1HG   GLU  25          1HG       GLU  25 -18.899 -20.821   5.782
  208   2HG   GLU  25          2HG       GLU  25 -17.671 -21.950   5.213
  209    H    LYS  26           H        LYS  26 -18.789 -18.621   6.663
  210    HA   LYS  26           HA       LYS  26 -19.059 -15.730   5.992
  211   1HB   LYS  26          1HB       LYS  26 -20.970 -17.423   6.493
  212   2HB   LYS  26          2HB       LYS  26 -20.468 -17.278   8.172
  213   1HG   LYS  26          1HG       LYS  26 -20.738 -14.800   7.998
  214   2HG   LYS  26          2HG       LYS  26 -21.365 -15.019   6.364
  215   1HD   LYS  26          1HD       LYS  26 -23.285 -16.181   7.141
  216   2HD   LYS  26          2HD       LYS  26 -22.575 -16.453   8.732
  217   1HE   LYS  26          1HE       LYS  26 -23.706 -14.589   9.393
  218   2HE   LYS  26          2HE       LYS  26 -22.536 -13.667   8.431
  219   1HZ   LYS  26          1HZ       LYS  26 -25.152 -14.771   7.561
  220   2HZ   LYS  26          2HZ       LYS  26 -23.970 -14.250   6.458
  221   3HZ   LYS  26          3HZ       LYS  26 -24.656 -13.147   7.553
  222    H    GLY  27           H        GLY  27 -17.311 -14.629   6.872
  223   1HA   GLY  27          1HA       GLY  27 -16.552 -13.480   8.904
  224   2HA   GLY  27          2HA       GLY  27 -16.894 -14.955   9.809
  225    H    GLU  28           H        GLU  28 -15.151 -14.638   6.718
  226    HA   GLU  28           HA       GLU  28 -12.763 -15.831   8.089
  227   1HB   GLU  28          1HB       GLU  28 -14.134 -16.228   5.448
  228   2HB   GLU  28          2HB       GLU  28 -12.392 -16.497   5.529
  229   1HG   GLU  28          1HG       GLU  28 -12.970 -17.911   7.655
  230   2HG   GLU  28          2HG       GLU  28 -14.598 -17.943   6.978
  231    H    LEU  29           H        LEU  29 -10.947 -14.572   8.071
  232    HA   LEU  29           HA       LEU  29 -10.895 -11.930   6.967
  233   1HB   LEU  29          1HB       LEU  29  -9.565 -13.095   8.889
  234   2HB   LEU  29          2HB       LEU  29  -8.476 -13.630   7.612
  235    HG   LEU  29           HG       LEU  29  -7.707 -11.514   8.662
  236   1HD1  LEU  29          1HD1      LEU  29  -7.649 -12.138   6.054
  237   2HD1  LEU  29          2HD1      LEU  29  -6.991 -10.622   6.669
  238   3HD1  LEU  29          3HD1      LEU  29  -8.602 -10.658   5.954
  239   1HD2  LEU  29          1HD2      LEU  29  -9.623  -9.744   7.436
  240   2HD2  LEU  29          2HD2      LEU  29  -9.152  -9.858   9.132
  241   3HD2  LEU  29          3HD2      LEU  29 -10.456 -10.867   8.510
  242    H    VAL  30           H        VAL  30 -10.573 -11.342   4.873
  243    HA   VAL  30           HA       VAL  30  -9.369 -13.320   2.988
  244    HB   VAL  30           HB       VAL  30 -10.928 -10.747   2.531
  245   1HG1  VAL  30          1HG1      VAL  30  -9.356 -12.284   0.774
  246   2HG1  VAL  30          2HG1      VAL  30 -10.534 -11.049   0.331
  247   3HG1  VAL  30          3HG1      VAL  30 -11.023 -12.740   0.426
  248   1HG2  VAL  30          1HG2      VAL  30 -12.559 -12.785   1.746
  249   2HG2  VAL  30          2HG2      VAL  30 -12.627 -12.039   3.343
  250   3HG2  VAL  30          3HG2      VAL  30 -11.729 -13.538   3.108
  251    H    GLU  31           H        GLU  31  -7.186 -12.753   3.885
  252    HA   GLU  31           HA       GLU  31  -5.105 -11.671   3.642
  253   1HB   GLU  31          1HB       GLU  31  -5.987 -11.767   1.234
  254   2HB   GLU  31          2HB       GLU  31  -6.496 -10.093   1.456
  255   1HG   GLU  31          1HG       GLU  31  -4.334  -9.297   1.510
  256   2HG   GLU  31          2HG       GLU  31  -3.692 -10.784   2.209
  257    H    GLU  32           H        GLU  32  -4.220  -9.999   4.810
  258    HA   GLU  32           HA       GLU  32  -5.924  -7.591   5.315
  259   1HB   GLU  32          1HB       GLU  32  -5.928  -8.963   7.280
  260   2HB   GLU  32          2HB       GLU  32  -4.221  -9.360   7.097
  261   1HG   GLU  32          1HG       GLU  32  -3.656  -6.985   7.536
  262   2HG   GLU  32          2HG       GLU  32  -5.363  -6.647   7.827
  263    H    CYS  33           H        CYS  33  -4.625  -5.625   5.777
  264    HA   CYS  33           HA       CYS  33  -1.748  -5.740   5.063
  265   1HB   CYS  33          1HB       CYS  33  -3.818  -5.181   3.218
  266   2HB   CYS  33          2HB       CYS  33  -3.071  -3.626   3.583
  267    HG   CYS  33           HG       CYS  33  -1.208  -4.323   2.117
  268    H    LEU  34           H        LEU  34  -1.192  -3.085   4.848
  269    HA   LEU  34           HA       LEU  34  -2.120  -1.983   7.475
  270   1HB   LEU  34          1HB       LEU  34   0.402  -2.575   6.425
  271   2HB   LEU  34          2HB       LEU  34   0.286  -0.831   6.292
  272    HG   LEU  34           HG       LEU  34  -0.771  -1.277   8.786
  273   1HD1  LEU  34          1HD1      LEU  34   1.315  -3.316   8.103
  274   2HD1  LEU  34          2HD1      LEU  34  -0.210  -3.542   8.958
  275   3HD1  LEU  34          3HD1      LEU  34   1.141  -2.739   9.762
  276   1HD2  LEU  34          1HD2      LEU  34   1.892  -0.819   9.303
  277   2HD2  LEU  34          2HD2      LEU  34   0.729   0.433   8.866
  278   3HD2  LEU  34          3HD2      LEU  34   1.753  -0.291   7.626
  279    H    CYS  35           H        CYS  35  -1.906   0.542   7.467
  280    HA   CYS  35           HA       CYS  35  -2.711   1.693   4.824
  281   1HB   CYS  35          1HB       CYS  35  -4.173   1.624   7.460
  282   2HB   CYS  35          2HB       CYS  35  -4.431   2.979   6.363
  283    HG   CYS  35           HG       CYS  35  -5.977   1.489   5.137
  284    H    ILE  36           H        ILE  36  -3.077   4.270   5.429
  285    HA   ILE  36           HA       ILE  36  -0.591   5.081   6.925
  286    HB   ILE  36           HB       ILE  36  -1.961   6.478   4.600
  287   1HG1  ILE  36          1HG1      ILE  36   0.553   4.790   4.515
  288   2HG1  ILE  36          2HG1      ILE  36  -1.033   4.209   4.004
  289   1HG2  ILE  36          1HG2      ILE  36  -0.196   7.492   6.419
  290   2HG2  ILE  36          2HG2      ILE  36  -0.341   8.067   4.758
  291   3HG2  ILE  36          3HG2      ILE  36   0.905   6.892   5.179
  292   1HD1  ILE  36          1HD1      ILE  36  -0.358   6.814   2.847
  293   2HD1  ILE  36          2HD1      ILE  36  -0.925   5.347   2.048
  294   3HD1  ILE  36          3HD1      ILE  36   0.792   5.554   2.398
  295    H    VAL  37           H        VAL  37  -0.850   6.761   8.430
  296    HA   VAL  37           HA       VAL  37  -3.652   7.764   8.795
  297    HB   VAL  37           HB       VAL  37  -1.330   7.414  10.721
  298   1HG1  VAL  37          1HG1      VAL  37  -3.263   7.827  12.403
  299   2HG1  VAL  37          2HG1      VAL  37  -4.106   8.548  11.032
  300   3HG1  VAL  37          3HG1      VAL  37  -2.574   9.229  11.582
  301   1HG2  VAL  37          1HG2      VAL  37  -3.578   5.734   9.843
  302   2HG2  VAL  37          2HG2      VAL  37  -3.434   5.876  11.596
  303   3HG2  VAL  37          3HG2      VAL  37  -2.077   5.269  10.646
  304    H    ARG  38           H        ARG  38  -3.912   9.882   8.262
  305    HA   ARG  38           HA       ARG  38  -1.731  11.819   8.821
  306   1HB   ARG  38          1HB       ARG  38  -1.304  10.903   6.581
  307   2HB   ARG  38          2HB       ARG  38  -2.967  11.231   6.106
  308   1HG   ARG  38          1HG       ARG  38  -1.312  12.942   5.287
  309   2HG   ARG  38          2HG       ARG  38  -2.611  13.614   6.264
  310   1HD   ARG  38          1HD       ARG  38  -1.155  13.759   8.208
  311   2HD   ARG  38          2HD       ARG  38   0.127  12.874   7.362
  312    HE   ARG  38           HE       ARG  38  -0.593  15.083   5.735
  313   1HH1  ARG  38          1HH1      ARG  38   0.829  14.453   8.850
  314   2HH1  ARG  38          2HH1      ARG  38   1.771  15.903   8.835
  315   1HH2  ARG  38          1HH2      ARG  38   0.639  16.959   5.740
  316   2HH2  ARG  38          2HH2      ARG  38   1.666  17.313   7.089
  317    H    HIS  39           H        HIS  39  -2.616  13.714   9.548
  318    HA   HIS  39           HA       HIS  39  -5.332  14.073  10.136
  319   1HB   HIS  39          1HB       HIS  39  -3.038  15.989   9.634
  320   2HB   HIS  39          2HB       HIS  39  -4.596  16.533  10.259
  321    HD1  HIS  39           HD1      HIS  39  -2.170  16.826  12.080
  322    HD2  HIS  39           HD2      HIS  39  -4.562  13.412  12.042
  323    HE1  HIS  39           HE1      HIS  39  -1.826  15.685  14.315
  324    H    ASN  40           H        ASN  40  -6.427  16.298   9.213
  325    HA   ASN  40           HA       ASN  40  -6.912  15.726   6.336
  326   1HB   ASN  40          1HB       ASN  40  -8.951  17.075   6.778
  327   2HB   ASN  40          2HB       ASN  40  -8.774  15.787   7.970
  328   1HD2  ASN  40          1HD2      ASN  40  -9.538  19.011   7.756
  329   2HD2  ASN  40          2HD2      ASN  40  -9.030  19.526   9.292
  330    H    ASP  41           H        ASP  41  -5.806  16.951   4.898
  331    HA   ASP  41           HA       ASP  41  -5.843  19.830   4.902
  332   1HB   ASP  41          1HB       ASP  41  -3.453  20.183   5.450
  333   2HB   ASP  41          2HB       ASP  41  -4.266  19.379   6.791
  334    H    ASP  42           H        ASP  42  -3.030  19.774   3.597
  335    HA   ASP  42           HA       ASP  42  -3.726  19.402   0.887
  336   1HB   ASP  42          1HB       ASP  42  -1.064  18.917   2.282
  337   2HB   ASP  42          2HB       ASP  42  -1.273  19.286   0.570
  338    H    TRP  43           H        TRP  43  -2.940  17.066   3.357
  339    HA   TRP  43           HA       TRP  43  -2.244  14.790   1.824
  340   1HB   TRP  43          1HB       TRP  43  -2.077  14.819   4.226
  341   2HB   TRP  43          2HB       TRP  43  -3.771  15.263   4.407
  342    HD1  TRP  43           HD1      TRP  43  -5.400  13.356   4.823
  343    HE1  TRP  43           HE1      TRP  43  -5.315  10.787   4.621
  344    HE3  TRP  43           HE3      TRP  43  -0.817  12.798   2.654
  345    HZ2  TRP  43           HZ2      TRP  43  -3.534   8.767   3.661
  346    HZ3  TRP  43           HZ3      TRP  43   0.046  10.544   2.107
  347    HH2  TRP  43           HH2      TRP  43  -1.303   8.534   2.614
  348    H    GLY  44           H        GLY  44  -5.502  15.729   3.013
  349   1HA   GLY  44          1HA       GLY  44  -6.907  13.732   1.534
  350   2HA   GLY  44          2HA       GLY  44  -7.631  15.207   2.176
  351    H    THR  45           H        THR  45  -5.696  16.902   0.646
  352    HA   THR  45           HA       THR  45  -7.273  17.189  -1.771
  353    HB   THR  45           HB       THR  45  -4.573  18.360  -1.022
  354    HG1  THR  45           HG1      THR  45  -5.639  19.248   0.532
  355   1HG2  THR  45          1HG2      THR  45  -4.817  19.368  -3.029
  356   2HG2  THR  45          2HG2      THR  45  -6.159  20.260  -2.313
  357   3HG2  THR  45          3HG2      THR  45  -6.466  18.769  -3.202
  358    H    ALA  46           H        ALA  46  -3.936  16.052  -1.135
  359    HA   ALA  46           HA       ALA  46  -3.450  15.444  -3.954
  360   1HB   ALA  46          1HB       ALA  46  -1.444  15.856  -2.925
  361   2HB   ALA  46          2HB       ALA  46  -1.520  14.151  -2.481
  362   3HB   ALA  46          3HB       ALA  46  -2.059  15.384  -1.340
  363    H    LEU  47           H        LEU  47  -4.204  13.565  -1.020
  364    HA   LEU  47           HA       LEU  47  -4.226  11.037  -2.560
  365   1HB   LEU  47          1HB       LEU  47  -4.503  11.901   0.322
  366   2HB   LEU  47          2HB       LEU  47  -4.921  10.255  -0.149
  367    HG   LEU  47           HG       LEU  47  -2.593  10.330   0.594
  368   1HD1  LEU  47          1HD1      LEU  47  -3.480   9.207  -1.741
  369   2HD1  LEU  47          2HD1      LEU  47  -1.874   8.945  -1.061
  370   3HD1  LEU  47          3HD1      LEU  47  -2.113  10.163  -2.313
  371   1HD2  LEU  47          1HD2      LEU  47  -1.784  12.062  -1.693
  372   2HD2  LEU  47          2HD2      LEU  47  -1.055  11.893  -0.096
  373   3HD2  LEU  47          3HD2      LEU  47  -2.519  12.856  -0.300
  374    H    GLU  48           H        GLU  48  -6.309  13.306  -2.889
  375    HA   GLU  48           HA       GLU  48  -8.809  12.424  -1.803
  376   1HB   GLU  48          1HB       GLU  48  -9.707  13.944  -3.559
  377   2HB   GLU  48          2HB       GLU  48  -8.330  14.670  -2.730
  378   1HG   GLU  48          1HG       GLU  48  -7.330  14.924  -4.728
  379   2HG   GLU  48          2HG       GLU  48  -7.245  13.168  -4.859
  380    H    ASP  49           H        ASP  49  -8.527  10.022  -2.246
  381    HA   ASP  49           HA       ASP  49 -10.015   9.261  -4.632
  382   1HB   ASP  49          1HB       ASP  49  -7.152   9.511  -4.713
  383   2HB   ASP  49          2HB       ASP  49  -7.565   7.804  -4.871
  384    H    TYR  50           H        TYR  50  -7.493   7.725  -2.585
  385    HA   TYR  50           HA       TYR  50  -9.551   5.682  -1.797
  386   1HB   TYR  50          1HB       TYR  50  -6.547   5.305  -2.062
  387   2HB   TYR  50          2HB       TYR  50  -7.768   4.045  -1.906
  388    HD1  TYR  50           HD1      TYR  50  -5.682   5.622  -4.192
  389    HD2  TYR  50           HD2      TYR  50  -9.758   4.331  -3.773
  390    HE1  TYR  50           HE1      TYR  50  -5.917   5.566  -6.659
  391    HE2  TYR  50           HE2      TYR  50  -9.993   4.275  -6.241
  392    HH   TYR  50           HH       TYR  50  -8.502   4.049  -8.225
  393    H    LEU  51           H        LEU  51  -9.499   7.818  -0.165
  394    HA   LEU  51           HA       LEU  51  -7.601   7.183   2.056
  395   1HB   LEU  51          1HB       LEU  51  -9.105   9.613   1.083
  396   2HB   LEU  51          2HB       LEU  51  -8.541   9.552   2.751
  397    HG   LEU  51           HG       LEU  51  -6.823   9.275   0.265
  398   1HD1  LEU  51          1HD1      LEU  51  -7.488  11.479   2.155
  399   2HD1  LEU  51          2HD1      LEU  51  -7.062  11.554   0.444
  400   3HD1  LEU  51          3HD1      LEU  51  -5.800  11.345   1.659
  401   1HD2  LEU  51          1HD2      LEU  51  -5.032   9.533   2.216
  402   2HD2  LEU  51          2HD2      LEU  51  -5.664   7.949   1.769
  403   3HD2  LEU  51          3HD2      LEU  51  -6.314   8.791   3.175
  404    H    PHE  52           H        PHE  52  -8.555   5.857   3.550
  405    HA   PHE  52           HA       PHE  52 -11.467   6.040   4.103
  406   1HB   PHE  52          1HB       PHE  52  -9.263   4.131   4.393
  407   2HB   PHE  52          2HB       PHE  52 -10.210   4.261   5.875
  408    HD1  PHE  52           HD1      PHE  52  -9.940   2.277   3.152
  409    HD2  PHE  52           HD2      PHE  52 -12.910   4.705   5.085
  410    HE1  PHE  52           HE1      PHE  52 -11.731   0.899   2.131
  411    HE2  PHE  52           HE2      PHE  52 -14.701   3.327   4.063
  412    HZ   PHE  52           HZ       PHE  52 -14.112   1.424   2.586
  413    H    SER  53           H        SER  53 -11.790   7.948   5.299
  414    HA   SER  53           HA       SER  53  -9.891   8.555   7.509
  415   1HB   SER  53          1HB       SER  53 -10.722  10.776   7.282
  416   2HB   SER  53          2HB       SER  53 -10.685  10.158   5.630
  417    HG   SER  53           HG       SER  53 -12.913   9.582   5.937
  418    H    ARG  54           H        ARG  54 -10.539   8.630   9.650
  419    HA   ARG  54           HA       ARG  54 -13.243   7.534  10.268
  420   1HB   ARG  54          1HB       ARG  54 -10.597   7.083  11.168
  421   2HB   ARG  54          2HB       ARG  54 -11.425   7.882  12.505
  422   1HG   ARG  54          1HG       ARG  54 -13.255   6.222  12.352
  423   2HG   ARG  54          2HG       ARG  54 -12.405   5.417  11.033
  424   1HD   ARG  54          1HD       ARG  54 -10.412   5.242  12.684
  425   2HD   ARG  54          2HD       ARG  54 -11.610   5.600  13.943
  426    HE   ARG  54           HE       ARG  54 -12.516   3.546  12.081
  427   1HH1  ARG  54          1HH1      ARG  54 -10.638   4.181  14.943
  428   2HH1  ARG  54          2HH1      ARG  54 -10.817   2.572  15.550
  429   1HH2  ARG  54          1HH2      ARG  54 -12.733   1.463  12.891
  430   2HH2  ARG  54          2HH2      ARG  54 -11.993   1.044  14.400
  431    H    LYS  55           H        LYS  55 -13.804   8.494  12.699
  432    HA   LYS  55           HA       LYS  55 -14.370  11.312  12.225
  433   1HB   LYS  55          1HB       LYS  55 -14.864   9.316  14.460
  434   2HB   LYS  55          2HB       LYS  55 -15.431  10.983  14.551
  435   1HG   LYS  55          1HG       LYS  55 -16.354  10.361  12.101
  436   2HG   LYS  55          2HG       LYS  55 -16.372   8.750  12.819
  437   1HD   LYS  55          1HD       LYS  55 -17.440  10.289  14.836
  438   2HD   LYS  55          2HD       LYS  55 -18.077  11.081  13.395
  439   1HE   LYS  55          1HE       LYS  55 -19.655   9.440  13.359
  440   2HE   LYS  55          2HE       LYS  55 -18.355   8.338  12.864
  441   1HZ   LYS  55          1HZ       LYS  55 -17.779   8.169  15.279
  442   2HZ   LYS  55          2HZ       LYS  55 -19.276   7.480  14.871
  443   3HZ   LYS  55          3HZ       LYS  55 -19.219   8.997  15.631
  444    H    ASN  56           H        ASN  56 -12.094  12.044  12.182
  445    HA   ASN  56           HA       ASN  56 -10.580  11.958  14.706
  446   1HB   ASN  56          1HB       ASN  56 -11.741  14.498  13.511
  447   2HB   ASN  56          2HB       ASN  56 -12.258  13.745  15.018
  448   1HD2  ASN  56          1HD2      ASN  56 -10.953  16.455  14.534
  449   2HD2  ASN  56          2HD2      ASN  56  -9.580  16.458  15.531
  450    H    MET  57           H        MET  57 -10.357  11.394  11.633
  451    HA   MET  57           HA       MET  57  -8.377  13.284  10.649
  452   1HB   MET  57          1HB       MET  57  -6.430  11.741  11.002
  453   2HB   MET  57          2HB       MET  57  -7.133  12.297  12.520
  454   1HG   MET  57          1HG       MET  57  -8.520   9.930  11.653
  455   2HG   MET  57          2HG       MET  57  -6.789   9.617  11.643
  456   1HE   MET  57          1HE       MET  57  -5.795  11.619  14.377
  457   2HE   MET  57          2HE       MET  57  -5.279  10.377  13.237
  458   3HE   MET  57          3HE       MET  57  -5.452   9.986  14.948
  459    H    SER  58           H        SER  58  -6.966  11.988   8.868
  460    HA   SER  58           HA       SER  58  -8.858  10.169   7.415
  461   1HB   SER  58          1HB       SER  58  -7.498  11.339   5.420
  462   2HB   SER  58          2HB       SER  58  -8.918  12.103   6.129
  463    HG   SER  58           HG       SER  58  -7.667  13.655   6.724
  464    H    ALA  59           H        ALA  59  -7.920   8.349   6.433
  465    HA   ALA  59           HA       ALA  59  -4.939   8.087   6.599
  466   1HB   ALA  59          1HB       ALA  59  -7.149   6.441   7.784
  467   2HB   ALA  59          2HB       ALA  59  -5.563   6.826   8.456
  468   3HB   ALA  59          3HB       ALA  59  -5.717   5.589   7.206
  469    H    MET  60           H        MET  60  -4.139   6.340   5.094
  470    HA   MET  60           HA       MET  60  -5.835   6.229   2.648
  471   1HB   MET  60          1HB       MET  60  -3.154   6.737   3.120
  472   2HB   MET  60          2HB       MET  60  -3.131   5.052   2.607
  473   1HG   MET  60          1HG       MET  60  -4.893   6.171   0.815
  474   2HG   MET  60          2HG       MET  60  -3.740   7.483   1.058
  475   1HE   MET  60          1HE       MET  60  -3.752   7.288  -1.221
  476   2HE   MET  60          2HE       MET  60  -3.277   5.920  -2.228
  477   3HE   MET  60          3HE       MET  60  -2.062   7.075  -1.678
  478    H    ALA  61           H        ALA  61  -5.797   4.075   1.451
  479    HA   ALA  61           HA       ALA  61  -6.561   1.948   3.303
  480   1HB   ALA  61          1HB       ALA  61  -6.903   2.737   0.548
  481   2HB   ALA  61          2HB       ALA  61  -7.848   1.572   1.475
  482   3HB   ALA  61          3HB       ALA  61  -6.408   1.046   0.604
  483    H    LEU  62           H        LEU  62  -3.623   2.803   1.701
  484    HA   LEU  62           HA       LEU  62  -2.103   0.779   2.985
  485   1HB   LEU  62          1HB       LEU  62  -0.925   1.746   0.508
  486   2HB   LEU  62          2HB       LEU  62  -1.725   3.057   1.375
  487    HG   LEU  62           HG       LEU  62  -0.496   2.407   3.437
  488   1HD1  LEU  62          1HD1      LEU  62   1.607   0.866   2.597
  489   2HD1  LEU  62          2HD1      LEU  62   0.279   0.174   1.666
  490   3HD1  LEU  62          3HD1      LEU  62   0.185   0.234   3.426
  491   1HD2  LEU  62          1HD2      LEU  62   1.696   2.660   1.459
  492   2HD2  LEU  62          2HD2      LEU  62   1.306   3.679   2.845
  493   3HD2  LEU  62          3HD2      LEU  62   0.417   3.870   1.335
  494    H    GLY  63           H        GLY  63  -2.953  -1.313   2.556
  495   1HA   GLY  63          1HA       GLY  63  -1.857  -2.667   0.301
  496   2HA   GLY  63          2HA       GLY  63  -3.053  -3.347   1.401
  497    H    PHE  64           H        PHE  64  -4.622  -4.172   0.098
  498    HA   PHE  64           HA       PHE  64  -5.417  -2.791  -2.385
  499   1HB   PHE  64          1HB       PHE  64  -6.235  -5.353  -0.973
  500   2HB   PHE  64          2HB       PHE  64  -6.875  -4.860  -2.540
  501    HD1  PHE  64           HD1      PHE  64  -4.823  -3.935  -4.157
  502    HD2  PHE  64           HD2      PHE  64  -4.534  -6.929  -1.091
  503    HE1  PHE  64           HE1      PHE  64  -2.818  -4.880  -5.270
  504    HE2  PHE  64           HE2      PHE  64  -2.529  -7.875  -2.204
  505    HZ   PHE  64           HZ       PHE  64  -1.671  -6.850  -4.293
  506    H    GLY  65           H        GLY  65  -6.023  -1.272  -0.021
  507   1HA   GLY  65          1HA       GLY  65  -8.851  -1.693   0.614
  508   2HA   GLY  65          2HA       GLY  65  -7.848  -0.364   1.191
  509    H    ALA  66           H        ALA  66  -7.011   0.009  -1.770
  510    HA   ALA  66           HA       ALA  66  -9.154   1.930  -2.400
  511   1HB   ALA  66          1HB       ALA  66  -6.507   1.194  -3.708
  512   2HB   ALA  66          2HB       ALA  66  -6.766   2.513  -2.567
  513   3HB   ALA  66          3HB       ALA  66  -7.502   2.575  -4.169
  514    H    ILE  67           H        ILE  67  -7.543  -0.789  -4.099
  515    HA   ILE  67           HA       ILE  67  -8.990  -0.888  -6.457
  516    HB   ILE  67           HB       ILE  67  -8.580  -3.388  -6.291
  517   1HG1  ILE  67          1HG1      ILE  67  -7.022  -3.830  -4.182
  518   2HG1  ILE  67          2HG1      ILE  67  -8.021  -2.571  -3.463
  519   1HG2  ILE  67          1HG2      ILE  67  -6.876  -1.674  -7.035
  520   2HG2  ILE  67          2HG2      ILE  67  -6.191  -3.164  -6.387
  521   3HG2  ILE  67          3HG2      ILE  67  -6.230  -1.707  -5.394
  522   1HD1  ILE  67          1HD1      ILE  67  -9.498  -4.645  -4.970
  523   2HD1  ILE  67          2HD1      ILE  67  -9.880  -3.890  -3.422
  524   3HD1  ILE  67          3HD1      ILE  67  -8.704  -5.202  -3.496
  525    H    PHE  68           H        PHE  68 -10.211  -1.675  -3.255
  526    HA   PHE  68           HA       PHE  68 -12.402  -3.329  -3.848
  527   1HB   PHE  68          1HB       PHE  68 -11.867  -1.109  -1.877
  528   2HB   PHE  68          2HB       PHE  68 -13.428  -1.928  -1.878
  529    HD1  PHE  68           HD1      PHE  68 -12.775  -4.691  -2.524
  530    HD2  PHE  68           HD2      PHE  68 -10.666  -1.901  -0.031
  531    HE1  PHE  68           HE1      PHE  68 -11.786  -6.575  -1.253
  532    HE2  PHE  68           HE2      PHE  68  -9.677  -3.787   1.242
  533    HZ   PHE  68           HZ       PHE  68 -10.238  -6.124   0.631
  534    H    ASN  69           H        ASN  69 -14.469  -2.963  -4.692
  535    HA   ASN  69           HA       ASN  69 -14.960  -0.229  -5.830
  536   1HB   ASN  69          1HB       ASN  69 -15.593  -3.046  -6.756
  537   2HB   ASN  69          2HB       ASN  69 -16.328  -1.628  -7.501
  538   1HD2  ASN  69          1HD2      ASN  69 -13.983  -3.726  -8.194
  539   2HD2  ASN  69          2HD2      ASN  69 -12.814  -2.705  -8.885
  540    H    HIS  70           H        HIS  70 -17.448   0.032  -6.271
  541    HA   HIS  70           HA       HIS  70 -18.859  -0.586  -3.724
  542   1HB   HIS  70          1HB       HIS  70 -18.604   1.738  -4.815
  543   2HB   HIS  70          2HB       HIS  70 -19.747   1.169  -6.032
  544    HD1  HIS  70           HD1      HIS  70 -19.534   1.439  -2.228
  545    HD2  HIS  70           HD2      HIS  70 -22.384   1.502  -5.270
  546    HE1  HIS  70           HE1      HIS  70 -21.754   1.944  -1.119
  547    H    SER  71           H        SER  71 -19.566  -2.746  -4.050
  548    HA   SER  71           HA       SER  71 -21.326  -3.209  -6.435
  549   1HB   SER  71          1HB       SER  71 -19.809  -5.150  -4.648
  550   2HB   SER  71          2HB       SER  71 -20.685  -5.572  -6.119
  551    HG   SER  71           HG       SER  71 -18.382  -3.950  -5.864
  552    H    LYS  72           H        LYS  72 -23.412  -4.009  -6.065
  553    HA   LYS  72           HA       LYS  72 -24.734  -3.474  -3.611
  554   1HB   LYS  72          1HB       LYS  72 -25.272  -5.166  -6.053
  555   2HB   LYS  72          2HB       LYS  72 -26.426  -5.144  -4.720
  556   1HG   LYS  72          1HG       LYS  72 -25.427  -2.507  -5.686
  557   2HG   LYS  72          2HG       LYS  72 -26.541  -3.375  -6.742
  558   1HD   LYS  72          1HD       LYS  72 -28.295  -3.215  -5.250
  559   2HD   LYS  72          2HD       LYS  72 -27.234  -3.213  -3.841
  560   1HE   LYS  72          1HE       LYS  72 -26.948  -0.930  -3.905
  561   2HE   LYS  72          2HE       LYS  72 -26.987  -0.877  -5.678
  562   1HZ   LYS  72          1HZ       LYS  72 -29.303  -1.340  -3.865
  563   2HZ   LYS  72          2HZ       LYS  72 -29.371  -1.428  -5.560
  564   3HZ   LYS  72          3HZ       LYS  72 -29.024   0.051  -4.800
  565    H    ASP  73           H        ASP  73 -25.012  -4.703  -1.762
  566    HA   ASP  73           HA       ASP  73 -24.651  -6.456  -0.219
  567   1HB   ASP  73          1HB       ASP  73 -26.202  -7.392  -2.079
  568   2HB   ASP  73          2HB       ASP  73 -24.767  -8.229  -2.671
  569    HA   PRO  74           HA       PRO  74 -20.203  -6.629  -1.748
  570   1HB   PRO  74          1HB       PRO  74 -19.217  -5.659   0.684
  571   2HB   PRO  74          2HB       PRO  74 -19.504  -4.673  -0.760
  572   1HG   PRO  74          1HG       PRO  74 -21.174  -5.010   1.673
  573   2HG   PRO  74          2HG       PRO  74 -20.921  -3.578   0.666
  574   1HD   PRO  74          1HD       PRO  74 -23.180  -5.065   0.559
  575   2HD   PRO  74          2HD       PRO  74 -22.530  -4.208  -0.854
  576    H    ASN  75           H        ASN  75 -19.957  -8.859  -1.615
  577    HA   ASN  75           HA       ASN  75 -20.589 -10.528   0.584
  578   1HB   ASN  75          1HB       ASN  75 -18.483 -10.765  -1.598
  579   2HB   ASN  75          2HB       ASN  75 -19.053 -12.110  -0.611
  580   1HD2  ASN  75          1HD2      ASN  75 -19.904  -9.954  -3.265
  581   2HD2  ASN  75          2HD2      ASN  75 -21.351 -10.736  -3.682
  582    H    ALA  76           H        ALA  76 -17.900  -8.370   0.132
  583    HA   ALA  76           HA       ALA  76 -16.581  -9.552   2.554
  584   1HB   ALA  76          1HB       ALA  76 -15.170  -7.956   0.418
  585   2HB   ALA  76          2HB       ALA  76 -15.517  -9.666   0.158
  586   3HB   ALA  76          3HB       ALA  76 -14.500  -9.169   1.510
  587    H    ARG  77           H        ARG  77 -15.740  -8.039   4.076
  588    HA   ARG  77           HA       ARG  77 -16.556  -5.184   3.644
  589   1HB   ARG  77          1HB       ARG  77 -17.288  -7.189   5.662
  590   2HB   ARG  77          2HB       ARG  77 -16.697  -5.692   6.381
  591   1HG   ARG  77          1HG       ARG  77 -18.362  -4.842   4.306
  592   2HG   ARG  77          2HG       ARG  77 -19.218  -6.213   5.013
  593   1HD   ARG  77          1HD       ARG  77 -18.059  -3.962   6.688
  594   2HD   ARG  77          2HD       ARG  77 -19.737  -3.979   6.110
  595    HE   ARG  77           HE       ARG  77 -19.312  -6.508   7.241
  596   1HH1  ARG  77          1HH1      ARG  77 -19.149  -3.194   8.295
  597   2HH1  ARG  77          2HH1      ARG  77 -19.566  -3.579   9.929
  598   1HH2  ARG  77          1HH2      ARG  77 -19.851  -6.981   9.368
  599   2HH2  ARG  77          2HH2      ARG  77 -19.960  -5.705  10.534
  600    H    HIS  78           H        HIS  78 -15.449  -3.982   5.786
  601    HA   HIS  78           HA       HIS  78 -12.596  -4.891   5.895
  602   1HB   HIS  78          1HB       HIS  78 -11.992  -2.486   5.535
  603   2HB   HIS  78          2HB       HIS  78 -12.877  -3.163   4.168
  604    HD1  HIS  78           HD1      HIS  78 -15.438  -2.504   3.971
  605    HD2  HIS  78           HD2      HIS  78 -13.310  -0.395   6.870
  606    HE1  HIS  78           HE1      HIS  78 -16.872  -0.516   4.608
  607    H    GLU  79           H        GLU  79 -11.443  -4.095   7.782
  608    HA   GLU  79           HA       GLU  79 -13.129  -2.865   9.923
  609   1HB   GLU  79          1HB       GLU  79 -13.194  -5.312  10.170
  610   2HB   GLU  79          2HB       GLU  79 -11.434  -5.385  10.086
  611   1HG   GLU  79          1HG       GLU  79 -11.338  -3.927  12.124
  612   2HG   GLU  79          2HG       GLU  79 -13.093  -4.046  12.242
  613    H    LEU  80           H        LEU  80 -12.007  -1.145  10.753
  614    HA   LEU  80           HA       LEU  80  -9.105  -0.911  10.220
  615   1HB   LEU  80          1HB       LEU  80 -11.315   0.873  11.257
  616   2HB   LEU  80          2HB       LEU  80  -9.633   1.389  11.304
  617    HG   LEU  80           HG       LEU  80 -10.732   0.290   8.742
  618   1HD1  LEU  80          1HD1      LEU  80 -10.946   3.222   9.136
  619   2HD1  LEU  80          2HD1      LEU  80 -12.153   2.251   9.979
  620   3HD1  LEU  80          3HD1      LEU  80 -11.991   2.130   8.227
  621   1HD2  LEU  80          1HD2      LEU  80  -8.299   1.227   9.508
  622   2HD2  LEU  80          2HD2      LEU  80  -9.030   2.709   8.893
  623   3HD2  LEU  80          3HD2      LEU  80  -8.887   1.296   7.847
  624    H    THR  81           H        THR  81  -7.551  -0.653  11.901
  625    HA   THR  81           HA       THR  81  -8.322  -1.897  14.486
  626    HB   THR  81           HB       THR  81  -5.768  -1.862  14.716
  627    HG1  THR  81           HG1      THR  81  -4.614  -1.094  13.083
  628   1HG2  THR  81          1HG2      THR  81  -7.382  -3.634  13.493
  629   2HG2  THR  81          2HG2      THR  81  -5.631  -3.842  13.552
  630   3HG2  THR  81          3HG2      THR  81  -6.390  -3.167  12.111
  631    H    ALA  82           H        ALA  82  -7.813  -0.847  16.508
  632    HA   ALA  82           HA       ALA  82  -8.421   1.889  16.756
  633   1HB   ALA  82          1HB       ALA  82  -7.713  -0.310  18.374
  634   2HB   ALA  82          2HB       ALA  82  -8.281   1.263  18.934
  635   3HB   ALA  82          3HB       ALA  82  -6.551   0.952  18.783
  636    H    GLY  83           H        GLY  83  -7.224   3.241  15.342
  637   1HA   GLY  83          1HA       GLY  83  -5.136   4.714  15.883
  638   2HA   GLY  83          2HA       GLY  83  -4.258   3.205  15.646
  639    H    LEU  84           H        LEU  84  -6.709   2.897  13.508
  640    HA   LEU  84           HA       LEU  84  -6.835   3.138  11.164
  641   1HB   LEU  84          1HB       LEU  84  -6.470   5.643  12.411
  642   2HB   LEU  84          2HB       LEU  84  -5.353   5.651  11.049
  643    HG   LEU  84           HG       LEU  84  -7.165   5.090   9.511
  644   1HD1  LEU  84          1HD1      LEU  84  -8.641   4.672  12.080
  645   2HD1  LEU  84          2HD1      LEU  84  -8.704   3.735  10.587
  646   3HD1  LEU  84          3HD1      LEU  84  -9.551   5.278  10.696
  647   1HD2  LEU  84          1HD2      LEU  84  -7.321   7.354   9.496
  648   2HD2  LEU  84          2HD2      LEU  84  -7.210   7.455  11.252
  649   3HD2  LEU  84          3HD2      LEU  84  -8.764   7.129  10.484
  650    H    LYS  85           H        LYS  85  -4.252   2.122  12.581
  651    HA   LYS  85           HA       LYS  85  -2.188   2.814  10.578
  652   1HB   LYS  85          1HB       LYS  85  -2.373   1.882  13.309
  653   2HB   LYS  85          2HB       LYS  85  -1.318   0.812  12.384
  654   1HG   LYS  85          1HG       LYS  85   0.269   2.424  12.094
  655   2HG   LYS  85          2HG       LYS  85  -0.929   3.698  11.868
  656   1HD   LYS  85          1HD       LYS  85  -1.376   3.253  14.453
  657   2HD   LYS  85          2HD       LYS  85   0.281   2.658  14.396
  658   1HE   LYS  85          1HE       LYS  85   0.980   4.814  14.524
  659   2HE   LYS  85          2HE       LYS  85   0.263   5.086  12.924
  660   1HZ   LYS  85          1HZ       LYS  85  -0.773   6.549  14.524
  661   2HZ   LYS  85          2HZ       LYS  85  -1.135   5.244  15.548
  662   3HZ   LYS  85          3HZ       LYS  85  -1.902   5.377  14.039
  663    H    ARG  86           H        ARG  86  -4.425   0.208  11.260
  664    HA   ARG  86           HA       ARG  86  -3.194  -1.339   9.005
  665   1HB   ARG  86          1HB       ARG  86  -3.161  -1.966  11.740
  666   2HB   ARG  86          2HB       ARG  86  -4.441  -2.979  11.071
  667   1HG   ARG  86          1HG       ARG  86  -2.621  -3.380   9.161
  668   2HG   ARG  86          2HG       ARG  86  -1.514  -2.978  10.470
  669   1HD   ARG  86          1HD       ARG  86  -3.423  -4.753  11.580
  670   2HD   ARG  86          2HD       ARG  86  -2.918  -5.443  10.027
  671    HE   ARG  86           HE       ARG  86  -0.738  -5.702  10.915
  672   1HH1  ARG  86          1HH1      ARG  86  -2.609  -3.480  12.834
  673   2HH1  ARG  86          2HH1      ARG  86  -1.392  -3.339  14.055
  674   1HH2  ARG  86          1HH2      ARG  86   0.826  -5.502  12.512
  675   2HH2  ARG  86          2HH2      ARG  86   0.539  -4.474  13.876
  676    H    MET  87           H        MET  87  -4.726  -2.748   7.897
  677    HA   MET  87           HA       MET  87  -7.607  -2.078   8.390
  678   1HB   MET  87          1HB       MET  87  -5.852  -1.519   6.142
  679   2HB   MET  87          2HB       MET  87  -7.202  -2.531   5.628
  680   1HG   MET  87          1HG       MET  87  -7.518   0.007   7.256
  681   2HG   MET  87          2HG       MET  87  -7.677  -0.060   5.501
  682   1HE   MET  87          1HE       MET  87 -10.542  -0.815   4.467
  683   2HE   MET  87          2HE       MET  87 -10.176  -2.520   4.732
  684   3HE   MET  87          3HE       MET  87  -8.888  -1.401   4.287
  685    H    ARG  88           H        ARG  88  -8.967  -3.864   8.292
  686    HA   ARG  88           HA       ARG  88  -7.703  -6.477   7.531
  687   1HB   ARG  88          1HB       ARG  88  -9.363  -5.483   9.773
  688   2HB   ARG  88          2HB       ARG  88  -9.853  -7.056   9.143
  689   1HG   ARG  88          1HG       ARG  88  -7.600  -7.931   9.458
  690   2HG   ARG  88          2HG       ARG  88  -7.019  -6.342   9.957
  691   1HD   ARG  88          1HD       ARG  88  -9.181  -6.774  11.653
  692   2HD   ARG  88          2HD       ARG  88  -8.424  -8.375  11.534
  693    HE   ARG  88           HE       ARG  88  -6.388  -6.367  11.802
  694   1HH1  ARG  88          1HH1      ARG  88  -8.881  -7.991  13.609
  695   2HH1  ARG  88          2HH1      ARG  88  -8.064  -7.798  15.121
  696   1HH2  ARG  88          1HH2      ARG  88  -5.347  -6.130  13.776
  697   2HH2  ARG  88          2HH2      ARG  88  -6.078  -6.753  15.217
  698    H    ILE  89           H        ILE  89  -9.018  -7.968   6.355
  699    HA   ILE  89           HA       ILE  89 -11.525  -6.813   5.178
  700    HB   ILE  89           HB       ILE  89  -9.319  -8.472   3.897
  701   1HG1  ILE  89          1HG1      ILE  89 -10.196  -5.676   3.168
  702   2HG1  ILE  89          2HG1      ILE  89  -8.954  -5.965   4.386
  703   1HG2  ILE  89          1HG2      ILE  89 -11.785  -7.256   2.619
  704   2HG2  ILE  89          2HG2      ILE  89 -11.642  -8.958   3.058
  705   3HG2  ILE  89          3HG2      ILE  89 -10.576  -8.271   1.832
  706   1HD1  ILE  89          1HD1      ILE  89  -7.433  -6.761   2.844
  707   2HD1  ILE  89          2HD1      ILE  89  -8.340  -5.669   1.797
  708   3HD1  ILE  89          3HD1      ILE  89  -8.687  -7.398   1.780
  709    H    PHE  90           H        PHE  90 -13.248  -8.092   5.730
  710    HA   PHE  90           HA       PHE  90 -12.727 -11.004   6.247
  711   1HB   PHE  90          1HB       PHE  90 -14.405  -8.866   7.526
  712   2HB   PHE  90          2HB       PHE  90 -14.993 -10.526   7.591
  713    HD1  PHE  90           HD1      PHE  90 -12.423  -8.180   8.737
  714    HD2  PHE  90           HD2      PHE  90 -13.703 -12.281   8.751
  715    HE1  PHE  90           HE1      PHE  90 -10.864  -8.661  10.604
  716    HE2  PHE  90           HE2      PHE  90 -12.143 -12.761  10.619
  717    HZ   PHE  90           HZ       PHE  90 -10.725 -10.950  11.547
  718    H    THR  91           H        THR  91 -15.244 -11.993   6.229
  719    HA   THR  91           HA       THR  91 -16.449 -11.171   3.612
  720    HB   THR  91           HB       THR  91 -16.836 -13.799   3.525
  721    HG1  THR  91           HG1      THR  91 -15.324 -14.924   4.632
  722   1HG2  THR  91          1HG2      THR  91 -14.547 -12.085   2.753
  723   2HG2  THR  91          2HG2      THR  91 -15.551 -13.140   1.758
  724   3HG2  THR  91          3HG2      THR  91 -14.237 -13.821   2.716
  725    H    ILE  92           H        ILE  92 -18.214 -10.131   4.695
  726    HA   ILE  92           HA       ILE  92 -19.664 -11.013   6.920
  727    HB   ILE  92           HB       ILE  92 -21.487  -9.647   5.934
  728   1HG1  ILE  92          1HG1      ILE  92 -19.772  -9.615   3.433
  729   2HG1  ILE  92          2HG1      ILE  92 -21.229 -10.591   3.618
  730   1HG2  ILE  92          1HG2      ILE  92 -18.876  -8.358   5.142
  731   2HG2  ILE  92          2HG2      ILE  92 -19.255  -8.673   6.835
  732   3HG2  ILE  92          3HG2      ILE  92 -20.292  -7.612   5.883
  733   1HD1  ILE  92          1HD1      ILE  92 -20.963  -7.600   3.464
  734   2HD1  ILE  92          2HD1      ILE  92 -22.343  -8.316   4.296
  735   3HD1  ILE  92          3HD1      ILE  92 -22.066  -8.663   2.590
  736    H    LYS  93           H        LYS  93 -19.809 -12.211   3.600
  737    HA   LYS  93           HA       LYS  93 -21.648 -14.369   4.554
  738   1HB   LYS  93          1HB       LYS  93 -22.888 -14.085   2.405
  739   2HB   LYS  93          2HB       LYS  93 -22.937 -12.621   3.386
  740   1HG   LYS  93          1HG       LYS  93 -20.962 -11.768   2.074
  741   2HG   LYS  93          2HG       LYS  93 -21.128 -13.169   1.016
  742   1HD   LYS  93          1HD       LYS  93 -22.302 -11.284   0.014
  743   2HD   LYS  93          2HD       LYS  93 -23.489 -12.473   0.552
  744   1HE   LYS  93          1HE       LYS  93 -23.015 -10.765   2.771
  745   2HE   LYS  93          2HE       LYS  93 -23.237  -9.716   1.358
  746   1HZ   LYS  93          1HZ       LYS  93 -25.032 -11.844   2.375
  747   2HZ   LYS  93          2HZ       LYS  93 -25.139 -11.284   0.775
  748   3HZ   LYS  93          3HZ       LYS  93 -25.402 -10.215   2.069
  749    HA   PRO  94           HA       PRO  94 -18.695 -17.128   2.784
  750   1HB   PRO  94          1HB       PRO  94 -21.078 -18.590   1.723
  751   2HB   PRO  94          2HB       PRO  94 -19.735 -19.198   2.708
  752   1HG   PRO  94          1HG       PRO  94 -22.175 -18.734   3.729
  753   2HG   PRO  94          2HG       PRO  94 -20.694 -18.515   4.669
  754   1HD   PRO  94          1HD       PRO  94 -22.526 -16.488   3.537
  755   2HD   PRO  94          2HD       PRO  94 -21.444 -16.383   4.944
  756    H    ILE  95           H        ILE  95 -17.800 -17.544   0.692
  757    HA   ILE  95           HA       ILE  95 -19.270 -16.254  -1.585
  758    HB   ILE  95           HB       ILE  95 -16.312 -16.348  -0.889
  759   1HG1  ILE  95          1HG1      ILE  95 -18.288 -14.048  -1.001
  760   2HG1  ILE  95          2HG1      ILE  95 -17.658 -14.781   0.474
  761   1HG2  ILE  95          1HG2      ILE  95 -16.684 -14.471  -2.894
  762   2HG2  ILE  95          2HG2      ILE  95 -17.738 -15.795  -3.393
  763   3HG2  ILE  95          3HG2      ILE  95 -16.020 -16.089  -3.120
  764   1HD1  ILE  95          1HD1      ILE  95 -16.417 -12.716  -0.137
  765   2HD1  ILE  95          2HD1      ILE  95 -15.969 -13.461  -1.672
  766   3HD1  ILE  95          3HD1      ILE  95 -15.375 -14.139  -0.156
  767    H    ALA  96           H        ALA  96 -19.046 -17.271  -3.633
  768    HA   ALA  96           HA       ALA  96 -18.211 -20.132  -3.515
  769   1HB   ALA  96          1HB       ALA  96 -20.495 -19.585  -4.242
  770   2HB   ALA  96          2HB       ALA  96 -19.587 -20.214  -5.617
  771   3HB   ALA  96          3HB       ALA  96 -19.863 -18.478  -5.462
  772    H    ILE  97           H        ILE  97 -17.007 -20.975  -5.426
  773    HA   ILE  97           HA       ILE  97 -14.705 -19.384  -6.072
  774    HB   ILE  97           HB       ILE  97 -15.904 -21.887  -7.320
  775   1HG1  ILE  97          1HG1      ILE  97 -13.526 -21.968  -5.551
  776   2HG1  ILE  97          2HG1      ILE  97 -15.048 -21.572  -4.774
  777   1HG2  ILE  97          1HG2      ILE  97 -13.601 -20.282  -8.028
  778   2HG2  ILE  97          2HG2      ILE  97 -14.253 -21.706  -8.840
  779   3HG2  ILE  97          3HG2      ILE  97 -13.103 -21.894  -7.515
  780   1HD1  ILE  97          1HD1      ILE  97 -14.528 -23.991  -6.520
  781   2HD1  ILE  97          2HD1      ILE  97 -16.077 -23.593  -5.776
  782   3HD1  ILE  97          3HD1      ILE  97 -14.693 -24.008  -4.764
  783    H    GLY  98           H        GLY  98 -15.304 -17.440  -7.114
  784   1HA   GLY  98          1HA       GLY  98 -15.274 -16.748  -9.581
  785   2HA   GLY  98          2HA       GLY  98 -16.723 -17.743  -9.729
  786    H    GLU  99           H        GLU  99 -15.845 -15.569  -7.055
  787    HA   GLU  99           HA       GLU  99 -18.338 -14.008  -7.658
  788   1HB   GLU  99          1HB       GLU  99 -16.981 -15.004  -5.162
  789   2HB   GLU  99          2HB       GLU  99 -17.994 -13.565  -5.063
  790   1HG   GLU  99          1HG       GLU  99 -18.847 -16.283  -6.101
  791   2HG   GLU  99          2HG       GLU  99 -19.314 -15.573  -4.559
  792    H    GLU 100           H        GLU 100 -18.198 -11.701  -6.779
  793    HA   GLU 100           HA       GLU 100 -15.479 -10.584  -7.350
  794   1HB   GLU 100          1HB       GLU 100 -17.830 -10.064  -8.555
  795   2HB   GLU 100          2HB       GLU 100 -17.962  -8.918  -7.222
  796   1HG   GLU 100          1HG       GLU 100 -15.318  -8.922  -8.512
  797   2HG   GLU 100          2HG       GLU 100 -16.627  -8.442  -9.591
  798    H    ILE 101           H        ILE 101 -14.391 -10.005  -5.518
  799    HA   ILE 101           HA       ILE 101 -15.864  -9.512  -3.008
  800    HB   ILE 101           HB       ILE 101 -12.940  -9.707  -3.801
  801   1HG1  ILE 101          1HG1      ILE 101 -14.603 -11.552  -2.076
  802   2HG1  ILE 101          2HG1      ILE 101 -14.438 -11.767  -3.819
  803   1HG2  ILE 101          1HG2      ILE 101 -14.241  -8.867  -1.264
  804   2HG2  ILE 101          2HG2      ILE 101 -12.639  -8.475  -1.888
  805   3HG2  ILE 101          3HG2      ILE 101 -12.925 -10.032  -1.112
  806   1HD1  ILE 101          1HD1      ILE 101 -12.761 -12.938  -2.080
  807   2HD1  ILE 101          2HD1      ILE 101 -11.929 -11.392  -2.249
  808   3HD1  ILE 101          3HD1      ILE 101 -12.225 -12.394  -3.670
  809    H    THR 102           H        THR 102 -16.331  -7.511  -2.287
  810    HA   THR 102           HA       THR 102 -14.632  -5.187  -2.961
  811    HB   THR 102           HB       THR 102 -16.638  -3.985  -3.878
  812    HG1  THR 102           HG1      THR 102 -18.389  -4.974  -3.198
  813   1HG2  THR 102          1HG2      THR 102 -16.561  -4.995  -6.042
  814   2HG2  THR 102          2HG2      THR 102 -16.196  -6.582  -5.365
  815   3HG2  THR 102          3HG2      THR 102 -14.983  -5.301  -5.316
  816    H    ILE 103           H        ILE 103 -15.763  -3.158  -1.841
  817    HA   ILE 103           HA       ILE 103 -17.286  -3.985   0.585
  818    HB   ILE 103           HB       ILE 103 -15.647  -2.816   2.006
  819   1HG1  ILE 103          1HG1      ILE 103 -13.448  -2.482   0.263
  820   2HG1  ILE 103          2HG1      ILE 103 -14.828  -1.737  -0.544
  821   1HG2  ILE 103          1HG2      ILE 103 -13.923  -4.442   1.909
  822   2HG2  ILE 103          2HG2      ILE 103 -14.080  -4.621   0.162
  823   3HG2  ILE 103          3HG2      ILE 103 -15.333  -5.255   1.229
  824   1HD1  ILE 103          1HD1      ILE 103 -13.478  -0.979   1.998
  825   2HD1  ILE 103          2HD1      ILE 103 -15.233  -0.810   1.956
  826   3HD1  ILE 103          3HD1      ILE 103 -14.236   0.045   0.778
  827    H    SER 104           H        SER 104 -18.304  -2.122   1.660
  828    HA   SER 104           HA       SER 104 -19.075  -0.028  -0.271
  829   1HB   SER 104          1HB       SER 104 -20.344  -1.482   1.687
  830   2HB   SER 104          2HB       SER 104 -20.046   0.039   2.527
  831    HG   SER 104           HG       SER 104 -21.668  -0.514   0.348
  832    H    TYR 105           H        TYR 105 -19.601   2.048   1.604
  833    HA   TYR 105           HA       TYR 105 -16.861   2.789   2.568
  834   1HB   TYR 105          1HB       TYR 105 -18.851   4.520   1.050
  835   2HB   TYR 105          2HB       TYR 105 -17.240   5.011   1.571
  836    HD1  TYR 105           HD1      TYR 105 -15.416   2.993   0.901
  837    HD2  TYR 105           HD2      TYR 105 -18.976   4.102  -1.232
  838    HE1  TYR 105           HE1      TYR 105 -14.458   2.054  -1.186
  839    HE2  TYR 105           HE2      TYR 105 -18.018   3.163  -3.318
  840    HH   TYR 105           HH       TYR 105 -15.034   1.327  -3.306
  841    H    GLY 106           H        GLY 106 -20.216   4.074   2.548
  842   1HA   GLY 106          1HA       GLY 106 -20.913   3.767   5.196
  843   2HA   GLY 106          2HA       GLY 106 -19.879   5.195   5.221
  844    H    ASP 107           H        ASP 107 -22.014   6.187   5.958
  845    HA   ASP 107           HA       ASP 107 -24.258   6.450   4.202
  846   1HB   ASP 107          1HB       ASP 107 -23.104   8.211   6.396
  847   2HB   ASP 107          2HB       ASP 107 -24.710   8.433   5.703
  848    H    ASP 108           H        ASP 108 -21.236   8.281   4.489
  849    HA   ASP 108           HA       ASP 108 -22.003  10.467   2.769
  850   1HB   ASP 108          1HB       ASP 108 -19.360   9.236   3.621
  851   2HB   ASP 108          2HB       ASP 108 -19.472  10.743   2.712
  852    H    TYR 109           H        TYR 109 -19.375   8.205   1.975
  853    HA   TYR 109           HA       TYR 109 -19.495   8.487  -0.810
  854   1HB   TYR 109          1HB       TYR 109 -18.472   6.560   1.188
  855   2HB   TYR 109          2HB       TYR 109 -18.690   5.880  -0.425
  856    HD1  TYR 109           HD1      TYR 109 -16.725   5.896  -1.672
  857    HD2  TYR 109           HD2      TYR 109 -17.579   9.207   0.928
  858    HE1  TYR 109           HE1      TYR 109 -14.648   7.022  -2.424
  859    HE2  TYR 109           HE2      TYR 109 -15.502  10.333   0.176
  860    HH   TYR 109           HH       TYR 109 -13.095   9.188  -0.947
  861    H    TRP 110           H        TRP 110 -21.355   8.236  -2.001
  862    HA   TRP 110           HA       TRP 110 -23.297   7.229  -2.889
  863   1HB   TRP 110          1HB       TRP 110 -21.584   4.888  -1.987
  864   2HB   TRP 110          2HB       TRP 110 -23.014   4.702  -3.003
  865    HD1  TRP 110           HD1      TRP 110 -19.817   6.898  -3.040
  866    HE1  TRP 110           HE1      TRP 110 -18.989   7.056  -5.477
  867    HE3  TRP 110           HE3      TRP 110 -23.430   4.150  -5.378
  868    HZ2  TRP 110           HZ2      TRP 110 -19.760   6.138  -8.075
  869    HZ3  TRP 110           HZ3      TRP 110 -23.360   3.808  -7.831
  870    HH2  TRP 110           HH2      TRP 110 -21.530   4.797  -9.182
  871    H    LEU 111           H        LEU 111 -24.764   5.024  -2.168
  872    HA   LEU 111           HA       LEU 111 -26.298   5.904   0.065
  873   1HB   LEU 111          1HB       LEU 111 -26.975   4.422  -1.867
  874   2HB   LEU 111          2HB       LEU 111 -26.054   3.115  -1.124
  875    HG   LEU 111           HG       LEU 111 -27.483   3.605   0.991
  876   1HD1  LEU 111          1HD1      LEU 111 -29.850   4.360  -0.100
  877   2HD1  LEU 111          2HD1      LEU 111 -28.739   5.308  -1.089
  878   3HD1  LEU 111          3HD1      LEU 111 -28.736   5.493   0.665
  879   1HD2  LEU 111          1HD2      LEU 111 -27.644   1.675  -0.771
  880   2HD2  LEU 111          2HD2      LEU 111 -29.093   2.524  -1.310
  881   3HD2  LEU 111          3HD2      LEU 111 -28.985   1.926   0.346
  882    H    SER 112           H        SER 112 -26.548   4.840   2.166
  883    HA   SER 112           HA       SER 112 -24.085   4.297   3.524
  884   1HB   SER 112          1HB       SER 112 -26.975   3.652   4.225
  885   2HB   SER 112          2HB       SER 112 -25.641   3.715   5.376
  886    HG   SER 112           HG       SER 112 -27.145   5.694   4.642
  887    H    ARG 113           H        ARG 113 -26.817   2.028   2.982
  888    HA   ARG 113           HA       ARG 113 -24.829  -0.141   2.516
  889   1HB   ARG 113          1HB       ARG 113 -26.815   0.221   4.710
  890   2HB   ARG 113          2HB       ARG 113 -26.666  -1.409   4.052
  891   1HG   ARG 113          1HG       ARG 113 -24.101  -1.026   4.315
  892   2HG   ARG 113          2HG       ARG 113 -24.568   0.277   5.406
  893   1HD   ARG 113          1HD       ARG 113 -26.132  -1.603   6.454
  894   2HD   ARG 113          2HD       ARG 113 -24.925  -2.683   5.729
  895    HE   ARG 113           HE       ARG 113 -23.530  -0.568   7.018
  896   1HH1  ARG 113          1HH1      ARG 113 -25.584  -3.263   7.815
  897   2HH1  ARG 113          2HH1      ARG 113 -24.874  -3.484   9.377
  898   1HH2  ARG 113          1HH2      ARG 113 -22.625  -0.874   9.049
  899   2HH2  ARG 113          2HH2      ARG 113 -23.211  -2.143  10.072
  900    HA   PRO 114           HA       PRO 114 -27.501  -1.475  -0.692
  901   1HB   PRO 114          1HB       PRO 114 -27.407  -4.251   0.364
  902   2HB   PRO 114          2HB       PRO 114 -26.872  -3.631  -1.208
  903   1HG   PRO 114          1HG       PRO 114 -25.147  -4.371   0.715
  904   2HG   PRO 114          2HG       PRO 114 -24.800  -3.063  -0.423
  905   1HD   PRO 114          1HD       PRO 114 -25.581  -2.922   2.444
  906   2HD   PRO 114          2HD       PRO 114 -24.519  -1.853   1.503
  907    H    ARG 115           H        ARG 115 -28.245  -3.456   2.210
  908    HA   ARG 115           HA       ARG 115 -30.280  -3.803   3.353
  909   1HB   ARG 115          1HB       ARG 115 -30.199  -1.119   2.551
  910   2HB   ARG 115          2HB       ARG 115 -31.788  -1.679   2.027
  911   1HG   ARG 115          1HG       ARG 115 -32.236  -1.047   4.227
  912   2HG   ARG 115          2HG       ARG 115 -31.866  -2.759   4.434
  913   1HD   ARG 115          1HD       ARG 115 -30.138  -2.219   5.797
  914   2HD   ARG 115          2HD       ARG 115 -29.404  -1.259   4.498
  915    HE   ARG 115           HE       ARG 115 -31.488   0.332   5.391
  916   1HH1  ARG 115          1HH1      ARG 115 -28.796  -1.262   6.920
  917   2HH1  ARG 115          2HH1      ARG 115 -28.664  -0.077   8.172
  918   1HH2  ARG 115          1HH2      ARG 115 -31.296   1.857   7.027
  919   2HH2  ARG 115          2HH2      ARG 115 -30.068   1.677   8.235
  920    H    LEU 116           H        LEU 116 -31.423  -2.494   0.217
  921    HA   LEU 116           HA       LEU 116 -32.877  -3.455  -1.378
  922   1HB   LEU 116          1HB       LEU 116 -31.366  -5.894  -0.366
  923   2HB   LEU 116          2HB       LEU 116 -32.269  -5.823  -1.878
  924    HG   LEU 116           HG       LEU 116 -30.308  -3.643  -1.486
  925   1HD1  LEU 116          1HD1      LEU 116 -29.306  -6.410  -2.180
  926   2HD1  LEU 116          2HD1      LEU 116 -29.214  -5.762  -0.543
  927   3HD1  LEU 116          3HD1      LEU 116 -28.356  -4.960  -1.858
  928   1HD2  LEU 116          1HD2      LEU 116 -31.780  -4.759  -3.568
  929   2HD2  LEU 116          2HD2      LEU 116 -30.139  -5.329  -3.869
  930   3HD2  LEU 116          3HD2      LEU 116 -30.463  -3.600  -3.743
  931    H    THR 117           H        THR 117 -34.863  -3.077  -0.212
  932    HA   THR 117           HA       THR 117 -35.854  -4.813   1.861
  933    HB   THR 117           HB       THR 117 -37.208  -2.943  -0.119
  934    HG1  THR 117           HG1      THR 117 -35.593  -2.112   1.380
  935   1HG2  THR 117          1HG2      THR 117 -38.941  -2.873   1.807
  936   2HG2  THR 117          2HG2      THR 117 -38.205  -4.386   2.336
  937   3HG2  THR 117          3HG2      THR 117 -38.955  -4.281   0.744
  938    H    GLN 118           H        GLN 118 -37.590  -6.389   1.660
  939    HA   GLN 118           HA       GLN 118 -37.538  -7.825  -0.958
  940   1HB   GLN 118          1HB       GLN 118 -37.002  -8.699   1.523
  941   2HB   GLN 118          2HB       GLN 118 -38.751  -8.929   1.549
  942   1HG   GLN 118          1HG       GLN 118 -38.110  -9.957  -0.908
  943   2HG   GLN 118          2HG       GLN 118 -36.681 -10.388   0.031
  944   1HE2  GLN 118          1HE2      GLN 118 -36.985 -11.823   1.897
  945   2HE2  GLN 118          2HE2      GLN 118 -38.409 -12.728   2.085
  946    H    ASN 119           H        ASN 119 -39.145  -6.290  -1.892
  947    HA   ASN 119           HA       ASN 119 -41.861  -7.261  -1.602
  948   1HB   ASN 119          1HB       ASN 119 -41.011  -5.453   0.322
  949   2HB   ASN 119          2HB       ASN 119 -41.807  -4.411  -0.857
  950   1HD2  ASN 119          1HD2      ASN 119 -42.433  -6.239   1.875
  951   2HD2  ASN 119          2HD2      ASN 119 -44.084  -6.543   1.626
  952   1H    GLY 201          1H        GLY 201 -36.500  22.859  -4.227
  953   2H    GLY 201          2H        GLY 201 -37.720  21.926  -4.952
  954   3H    GLY 201          3H        GLY 201 -38.132  23.177  -3.880
  955   1HA   GLY 201          1HA       GLY 201 -37.151  23.352  -6.651
  956   2HA   GLY 201          2HA       GLY 201 -38.540  24.150  -5.914
  957    H    LYS 202           H        LYS 202 -35.033  24.195  -6.207
  958    HA   LYS 202           HA       LYS 202 -35.075  27.019  -5.202
  959   1HB   LYS 202          1HB       LYS 202 -33.419  24.635  -4.431
  960   2HB   LYS 202          2HB       LYS 202 -32.667  26.229  -4.373
  961   1HG   LYS 202          1HG       LYS 202 -34.851  26.907  -3.082
  962   2HG   LYS 202          2HG       LYS 202 -34.993  25.174  -2.788
  963   1HD   LYS 202          1HD       LYS 202 -33.241  25.158  -1.337
  964   2HD   LYS 202          2HD       LYS 202 -32.291  26.265  -2.328
  965   1HE   LYS 202          1HE       LYS 202 -32.773  27.868  -0.789
  966   2HE   LYS 202          2HE       LYS 202 -34.446  27.809  -1.373
  967   1HZ   LYS 202          1HZ       LYS 202 -33.209  26.268   0.835
  968   2HZ   LYS 202          2HZ       LYS 202 -34.646  25.752   0.092
  969   3HZ   LYS 202          3HZ       LYS 202 -34.593  27.251   0.887
  970    H    ALA 203           H        ALA 203 -35.128  26.012  -7.963
  971    HA   ALA 203           HA       ALA 203 -32.624  25.901  -9.253
  972   1HB   ALA 203          1HB       ALA 203 -34.167  25.622 -10.889
  973   2HB   ALA 203          2HB       ALA 203 -34.427  27.366 -10.882
  974   3HB   ALA 203          3HB       ALA 203 -35.423  26.322  -9.867
  975    HA   PRO 204           HA       PRO 204 -33.060  30.784  -9.733
  976   1HB   PRO 204          1HB       PRO 204 -34.331  31.263  -7.070
  977   2HB   PRO 204          2HB       PRO 204 -34.593  32.107  -8.607
  978   1HG   PRO 204          1HG       PRO 204 -36.365  30.357  -7.608
  979   2HG   PRO 204          2HG       PRO 204 -36.108  30.559  -9.346
  980   1HD   PRO 204          1HD       PRO 204 -35.288  28.342  -7.562
  981   2HD   PRO 204          2HD       PRO 204 -35.653  28.327  -9.299
  982    H    ARG 205           H        ARG 205 -30.804  30.500  -9.393
  983    HA   ARG 205           HA       ARG 205 -28.758  30.622  -8.218
  984   1HB   ARG 205          1HB       ARG 205 -30.752  32.329  -6.742
  985   2HB   ARG 205          2HB       ARG 205 -29.127  32.145  -6.084
  986   1HG   ARG 205          1HG       ARG 205 -28.891  32.630  -8.891
  987   2HG   ARG 205          2HG       ARG 205 -29.984  33.841  -8.220
  988   1HD   ARG 205          1HD       ARG 205 -28.085  34.936  -7.580
  989   2HD   ARG 205          2HD       ARG 205 -27.950  33.694  -6.320
  990    HE   ARG 205           HE       ARG 205 -26.924  32.548  -8.684
  991   1HH1  ARG 205          1HH1      ARG 205 -26.208  35.228  -6.581
  992   2HH1  ARG 205          2HH1      ARG 205 -24.513  35.184  -6.921
  993   1HH2  ARG 205          1HH2      ARG 205 -24.720  32.511  -9.110
  994   2HH2  ARG 205          2HH2      ARG 205 -23.675  33.659  -8.341
  995    H    LYS 206           H        LYS 206 -28.955  28.248  -7.741
  996    HA   LYS 206           HA       LYS 206 -30.099  27.331  -5.238
  997   1HB   LYS 206          1HB       LYS 206 -29.321  26.198  -7.580
  998   2HB   LYS 206          2HB       LYS 206 -27.907  25.828  -6.594
  999   1HG   LYS 206          1HG       LYS 206 -29.216  24.669  -4.980
 1000   2HG   LYS 206          2HG       LYS 206 -30.705  25.234  -5.672
 1001   1HD   LYS 206          1HD       LYS 206 -30.749  23.291  -6.814
 1002   2HD   LYS 206          2HD       LYS 206 -29.517  24.038  -7.837
 1003   1HE   LYS 206          1HE       LYS 206 -28.039  22.479  -7.123
 1004   2HE   LYS 206          2HE       LYS 206 -28.241  23.135  -5.485
 1005   1HZ   LYS 206          1HZ       LYS 206 -30.361  21.813  -5.394
 1006   2HZ   LYS 206          2HZ       LYS 206 -28.947  20.874  -5.399
 1007   3HZ   LYS 206          3HZ       LYS 206 -29.866  21.033  -6.818
 1008    H    GLN 207           H        GLN 207 -29.164  27.443  -3.232
 1009    HA   GLN 207           HA       GLN 207 -26.734  28.812  -2.692
 1010   1HB   GLN 207          1HB       GLN 207 -28.658  28.348  -1.140
 1011   2HB   GLN 207          2HB       GLN 207 -28.138  26.665  -1.059
 1012   1HG   GLN 207          1HG       GLN 207 -25.808  27.757  -0.425
 1013   2HG   GLN 207          2HG       GLN 207 -26.822  29.115   0.062
 1014   1HE2  GLN 207          1HE2      GLN 207 -29.082  27.800   1.092
 1015   2HE2  GLN 207          2HE2      GLN 207 -28.634  26.860   2.433
 1016    H    LEU 208           H        LEU 208 -24.615  28.123  -2.654
 1017    HA   LEU 208           HA       LEU 208 -23.865  25.602  -3.825
 1018   1HB   LEU 208          1HB       LEU 208 -22.433  27.779  -2.272
 1019   2HB   LEU 208          2HB       LEU 208 -21.577  26.403  -2.968
 1020    HG   LEU 208           HG       LEU 208 -23.404  28.177  -4.603
 1021   1HD1  LEU 208          1HD1      LEU 208 -20.409  28.391  -4.166
 1022   2HD1  LEU 208          2HD1      LEU 208 -21.622  29.586  -3.706
 1023   3HD1  LEU 208          3HD1      LEU 208 -21.305  29.263  -5.410
 1024   1HD2  LEU 208          1HD2      LEU 208 -22.306  25.712  -5.131
 1025   2HD2  LEU 208          2HD2      LEU 208 -21.096  26.800  -5.811
 1026   3HD2  LEU 208          3HD2      LEU 208 -22.769  26.886  -6.363
 1027    H    ALA 209           H        ALA 209 -21.915  24.474  -2.338
 1028    HA   ALA 209           HA       ALA 209 -22.749  24.053   0.446
 1029   1HB   ALA 209          1HB       ALA 209 -23.160  21.564  -0.102
 1030   2HB   ALA 209          2HB       ALA 209 -23.241  22.067  -1.790
 1031   3HB   ALA 209          3HB       ALA 209 -24.407  22.696  -0.625
 1032    H    THR 210           H        THR 210 -21.049  23.159   1.634
 1033    HA   THR 210           HA       THR 210 -18.593  22.427   0.077
 1034    HB   THR 210           HB       THR 210 -17.599  23.060   2.442
 1035    HG1  THR 210           HG1      THR 210 -18.904  24.223   3.689
 1036   1HG2  THR 210          1HG2      THR 210 -18.187  24.508   0.063
 1037   2HG2  THR 210          2HG2      THR 210 -16.917  24.835   1.241
 1038   3HG2  THR 210          3HG2      THR 210 -18.502  25.586   1.423
 1039    H    LYS 211           H        LYS 211 -20.564  20.431   0.542
 1040    HA   LYS 211           HA       LYS 211 -20.033  18.921   2.957
 1041   1HB   LYS 211          1HB       LYS 211 -22.089  18.888   1.460
 1042   2HB   LYS 211          2HB       LYS 211 -21.133  17.985   0.284
 1043   1HG   LYS 211          1HG       LYS 211 -20.682  16.268   2.053
 1044   2HG   LYS 211          2HG       LYS 211 -21.775  17.141   3.126
 1045   1HD   LYS 211          1HD       LYS 211 -23.242  16.870   0.777
 1046   2HD   LYS 211          2HD       LYS 211 -22.397  15.328   0.919
 1047   1HE   LYS 211          1HE       LYS 211 -23.598  14.713   2.771
 1048   2HE   LYS 211          2HE       LYS 211 -23.572  16.353   3.445
 1049   1HZ   LYS 211          1HZ       LYS 211 -25.793  15.565   2.577
 1050   2HZ   LYS 211          2HZ       LYS 211 -25.121  15.627   1.018
 1051   3HZ   LYS 211          3HZ       LYS 211 -25.245  17.044   1.945
 1052    H    ALA 212           H        ALA 212 -17.637  18.842   2.882
 1053    HA   ALA 212           HA       ALA 212 -16.494  17.092   0.753
 1054   1HB   ALA 212          1HB       ALA 212 -14.965  18.774   0.936
 1055   2HB   ALA 212          2HB       ALA 212 -14.459  17.984   2.430
 1056   3HB   ALA 212          3HB       ALA 212 -15.626  19.304   2.483
 1057    H    ALA 213           H        ALA 213 -16.922  14.968   1.403
 1058    HA   ALA 213           HA       ALA 213 -15.873  14.182   4.101
 1059   1HB   ALA 213          1HB       ALA 213 -18.326  14.233   4.071
 1060   2HB   ALA 213          2HB       ALA 213 -17.787  12.555   4.123
 1061   3HB   ALA 213          3HB       ALA 213 -18.353  13.252   2.606
 1062    H    ARG 214           H        ARG 214 -15.143  11.906   4.181
 1063    HA   ARG 214           HA       ARG 214 -14.206  10.940   1.501
 1064   1HB   ARG 214          1HB       ARG 214 -13.100  10.670   4.321
 1065   2HB   ARG 214          2HB       ARG 214 -12.379   9.906   2.905
 1066   1HG   ARG 214          1HG       ARG 214 -11.338  11.820   2.343
 1067   2HG   ARG 214          2HG       ARG 214 -12.867  12.699   2.365
 1068   1HD   ARG 214          1HD       ARG 214 -12.397  12.373   5.053
 1069   2HD   ARG 214          2HD       ARG 214 -10.752  12.574   4.420
 1070    HE   ARG 214           HE       ARG 214 -12.830  14.615   4.437
 1071   1HH1  ARG 214          1HH1      ARG 214 -10.069  13.378   2.715
 1072   2HH1  ARG 214          2HH1      ARG 214  -9.709  14.900   1.977
 1073   1HH2  ARG 214          1HH2      ARG 214 -12.342  16.580   3.468
 1074   2HH2  ARG 214          2HH2      ARG 214 -10.984  16.700   2.399
 1075   1HN   MLZ 215          1HN       MLZ 215 -13.415   8.362   2.381
 1076    HA   MLZ 215           HA       MLZ 215 -15.911   6.923   2.238
 1077   1HB   MLZ 215          1HB       MLZ 215 -13.112   6.041   3.040
 1078   2HB   MLZ 215          2HB       MLZ 215 -14.405   4.978   2.485
 1079   1HG   MLZ 215          1HG       MLZ 215 -12.771   6.952   0.932
 1080   2HG   MLZ 215          2HG       MLZ 215 -14.428   6.641   0.417
 1081   1HD   MLZ 215          1HD       MLZ 215 -13.008   4.172   1.047
 1082   2HD   MLZ 215          2HD       MLZ 215 -13.877   4.617  -0.422
 1083   1HE   MLZ 215          1HE       MLZ 215 -11.394   4.223  -0.774
 1084   2HE   MLZ 215          2HE       MLZ 215 -11.095   5.649   0.234
 1085    HZ   MLZ 215           HZ       MLZ 215 -11.311   6.696  -1.755
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -13.312   4.773  -2.780
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -11.586   4.441  -2.861
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -12.252   5.843  -3.690
 1089    H    SER 216           H        SER 216 -17.182   6.134   3.894
 1090    HA   SER 216           HA       SER 216 -17.945   5.732   6.089
 1091   1HB   SER 216          1HB       SER 216 -16.130   7.728   7.268
 1092   2HB   SER 216          2HB       SER 216 -16.962   8.315   5.828
 1093    HG   SER 216           HG       SER 216 -18.258   8.696   7.600
 1094    H    ALA 217           H        ALA 217 -16.992   5.387   8.460
 1095    HA   ALA 217           HA       ALA 217 -14.716   3.513   8.149
 1096   1HB   ALA 217          1HB       ALA 217 -14.245   5.067  10.500
 1097   2HB   ALA 217          2HB       ALA 217 -14.544   6.193   9.175
 1098   3HB   ALA 217          3HB       ALA 217 -13.256   4.995   9.041
 1099    HA   PRO 218           HA       PRO 218 -17.625   1.365  10.802
 1100   1HB   PRO 218          1HB       PRO 218 -15.274  -0.385  11.339
 1101   2HB   PRO 218          2HB       PRO 218 -16.885  -0.821  10.742
 1102   1HG   PRO 218          1HG       PRO 218 -14.721  -0.791   9.153
 1103   2HG   PRO 218          2HG       PRO 218 -16.338  -0.382   8.564
 1104   1HD   PRO 218          1HD       PRO 218 -14.033   1.396   9.153
 1105   2HD   PRO 218          2HD       PRO 218 -15.321   1.570   7.942
 1106    H    ALA 219           H        ALA 219 -17.803   0.989  13.131
 1107    HA   ALA 219           HA       ALA 219 -15.870   2.640  14.701
 1108   1HB   ALA 219          1HB       ALA 219 -18.746   2.224  14.597
 1109   2HB   ALA 219          2HB       ALA 219 -17.845   3.492  15.428
 1110   3HB   ALA 219          3HB       ALA 219 -18.141   1.950  16.231
 1111    H    THR 220           H        THR 220 -17.065  -0.605  14.281
 1112    HA   THR 220           HA       THR 220 -16.544  -1.759  16.813
 1113    HB   THR 220           HB       THR 220 -17.678  -2.863  14.922
 1114    HG1  THR 220           HG1      THR 220 -17.003  -4.539  15.970
 1115   1HG2  THR 220          1HG2      THR 220 -16.106  -3.778  13.088
 1116   2HG2  THR 220          2HG2      THR 220 -14.953  -2.569  13.655
 1117   3HG2  THR 220          3HG2      THR 220 -16.518  -2.064  13.017
 1118    H    GLY 221           H        GLY 221 -14.590  -3.663  16.590
 1119   1HA   GLY 221          1HA       GLY 221 -12.303  -3.942  16.994
 1120   2HA   GLY 221          2HA       GLY 221 -12.112  -2.995  15.525
 1121   1H    MET   1          1H        MET   1  -1.385 -11.314   9.358
 1122   2H    MET   1          2H        MET   1  -1.645 -11.976   7.816
 1123   3H    MET   1          3H        MET   1  -1.973 -10.334   8.101
 1124    HA   MET   1           HA       MET   1   0.070 -10.296   6.987
 1125   1HB   MET   1          1HB       MET   1  -0.325  -9.415   9.564
 1126   2HB   MET   1          2HB       MET   1   1.166 -10.342   9.736
 1127   1HG   MET   1          1HG       MET   1   1.756  -8.058   9.170
 1128   2HG   MET   1          2HG       MET   1   2.095  -9.075   7.770
 1129   1HE   MET   1          1HE       MET   1   1.743  -6.152   8.430
 1130   2HE   MET   1          2HE       MET   1   0.358  -5.297   7.750
 1131   3HE   MET   1          3HE       MET   1   1.640  -5.882   6.690
 1132    H    PHE   2           H        PHE   2   2.553 -10.990   8.394
 1133    HA   PHE   2           HA       PHE   2   4.166 -12.688   8.065
 1134   1HB   PHE   2          1HB       PHE   2   3.563 -14.651   9.600
 1135   2HB   PHE   2          2HB       PHE   2   3.542 -13.052  10.334
 1136    HD1  PHE   2           HD1      PHE   2   1.498 -15.893   9.209
 1137    HD2  PHE   2           HD2      PHE   2   1.435 -11.962  10.939
 1138    HE1  PHE   2           HE1      PHE   2  -0.859 -16.234   9.898
 1139    HE2  PHE   2           HE2      PHE   2  -0.922 -12.303  11.628
 1140    HZ   PHE   2           HZ       PHE   2  -2.069 -14.439  11.107
 1141    H    ASN   3           H        ASN   3   4.086 -13.216   5.842
 1142    HA   ASN   3           HA       ASN   3   2.142 -15.240   4.905
 1143   1HB   ASN   3          1HB       ASN   3   4.138 -13.325   3.775
 1144   2HB   ASN   3          2HB       ASN   3   3.784 -14.760   2.812
 1145   1HD2  ASN   3          1HD2      ASN   3   1.780 -14.819   1.700
 1146   2HD2  ASN   3          2HD2      ASN   3   0.595 -13.611   1.830
 1147    H    ASP   4           H        ASP   4   2.737 -17.351   4.298
 1148    HA   ASP   4           HA       ASP   4   4.704 -18.756   5.685
 1149   1HB   ASP   4          1HB       ASP   4   2.738 -19.527   4.208
 1150   2HB   ASP   4          2HB       ASP   4   3.847 -19.376   2.845
 1151    H    ARG   5           H        ARG   5   5.011 -17.339   2.410
 1152    HA   ARG   5           HA       ARG   5   7.709 -18.232   1.969
 1153   1HB   ARG   5          1HB       ARG   5   6.176 -15.849   0.863
 1154   2HB   ARG   5          2HB       ARG   5   7.585 -16.604   0.118
 1155   1HG   ARG   5          1HG       ARG   5   5.773 -18.705   0.624
 1156   2HG   ARG   5          2HG       ARG   5   4.805 -17.391  -0.044
 1157   1HD   ARG   5          1HD       ARG   5   5.691 -17.701  -2.113
 1158   2HD   ARG   5          2HD       ARG   5   7.343 -17.708  -1.468
 1159    HE   ARG   5           HE       ARG   5   5.876 -20.124  -0.770
 1160   1HH1  ARG   5          1HH1      ARG   5   7.724 -18.540  -3.260
 1161   2HH1  ARG   5          2HH1      ARG   5   8.223 -20.027  -3.988
 1162   1HH2  ARG   5          1HH2      ARG   5   6.537 -22.039  -1.733
 1163   2HH2  ARG   5          2HH2      ARG   5   7.558 -21.995  -3.132
 1164    H    VAL   6           H        VAL   6   6.348 -15.248   3.353
 1165    HA   VAL   6           HA       VAL   6   8.998 -14.643   4.548
 1166    HB   VAL   6           HB       VAL   6   7.434 -12.755   2.746
 1167   1HG1  VAL   6          1HG1      VAL   6  10.021 -11.791   3.123
 1168   2HG1  VAL   6          2HG1      VAL   6   9.548 -12.365   4.722
 1169   3HG1  VAL   6          3HG1      VAL   6   8.561 -11.165   3.889
 1170   1HG2  VAL   6          1HG2      VAL   6   9.963 -14.364   2.340
 1171   2HG2  VAL   6          2HG2      VAL   6   9.560 -12.968   1.341
 1172   3HG2  VAL   6          3HG2      VAL   6   8.501 -14.378   1.354
 1173    H    ILE   7           H        ILE   7   8.766 -13.565   6.524
 1174    HA   ILE   7           HA       ILE   7   5.956 -12.894   7.328
 1175    HB   ILE   7           HB       ILE   7   7.100 -14.808   8.459
 1176   1HG1  ILE   7          1HG1      ILE   7   6.924 -12.540  10.436
 1177   2HG1  ILE   7          2HG1      ILE   7   5.480 -13.128   9.611
 1178   1HG2  ILE   7          1HG2      ILE   7   9.059 -12.644   9.280
 1179   2HG2  ILE   7          2HG2      ILE   7   9.409 -14.061   8.291
 1180   3HG2  ILE   7          3HG2      ILE   7   9.002 -14.254   9.996
 1181   1HD1  ILE   7          1HD1      ILE   7   5.793 -14.280  11.774
 1182   2HD1  ILE   7          2HD1      ILE   7   7.387 -14.825  11.252
 1183   3HD1  ILE   7          3HD1      ILE   7   5.942 -15.411  10.429
 1184    H    VAL   8           H        VAL   8   5.652 -10.976   8.621
 1185    HA   VAL   8           HA       VAL   8   7.624  -8.843   8.058
 1186    HB   VAL   8           HB       VAL   8   4.853  -8.927   9.310
 1187   1HG1  VAL   8          1HG1      VAL   8   6.393  -6.483   8.398
 1188   2HG1  VAL   8          2HG1      VAL   8   6.338  -7.010  10.080
 1189   3HG1  VAL   8          3HG1      VAL   8   4.855  -6.523   9.259
 1190   1HG2  VAL   8          1HG2      VAL   8   4.207  -7.852   7.151
 1191   2HG2  VAL   8          2HG2      VAL   8   4.867  -9.473   6.930
 1192   3HG2  VAL   8          3HG2      VAL   8   5.864  -8.060   6.585
 1193    H    LYS   9           H        LYS   9   9.024  -8.071   9.599
 1194    HA   LYS   9           HA       LYS   9   8.418  -8.525  12.461
 1195   1HB   LYS   9          1HB       LYS   9  10.580  -9.731  10.818
 1196   2HB   LYS   9          2HB       LYS   9  10.962  -9.306  12.485
 1197   1HG   LYS   9          1HG       LYS   9   9.133 -10.678  13.304
 1198   2HG   LYS   9          2HG       LYS   9   8.575 -10.984  11.660
 1199   1HD   LYS   9          1HD       LYS   9  10.536 -12.261  11.139
 1200   2HD   LYS   9          2HD       LYS   9  11.333 -11.761  12.631
 1201   1HE   LYS   9          1HE       LYS   9   9.295 -12.876  13.821
 1202   2HE   LYS   9          2HE       LYS   9   9.050 -13.699  12.269
 1203   1HZ   LYS   9          1HZ       LYS   9  11.686 -13.553  13.631
 1204   2HZ   LYS   9          2HZ       LYS   9  11.248 -14.541  12.320
 1205   3HZ   LYS   9          3HZ       LYS   9  10.609 -14.845  13.864
 1206    H    LYS  10           H        LYS  10  10.075  -5.369  12.924
 1207    HA   LYS  10           HA       LYS  10   8.451  -5.690  14.564
 1208   1HB   LYS  10          1HB       LYS  10   7.419  -6.533  12.036
 1209   2HB   LYS  10          2HB       LYS  10   6.794  -7.630  13.267
 1210   1HG   LYS  10          1HG       LYS  10   5.296  -5.705  13.035
 1211   2HG   LYS  10          2HG       LYS  10   6.078  -5.665  14.615
 1212   1HD   LYS  10          1HD       LYS  10   7.855  -4.168  13.493
 1213   2HD   LYS  10          2HD       LYS  10   6.693  -3.990  12.178
 1214   1HE   LYS  10          1HE       LYS  10   5.322  -2.639  13.422
 1215   2HE   LYS  10          2HE       LYS  10   5.581  -3.583  14.901
 1216   1HZ   LYS  10          1HZ       LYS  10   7.526  -1.716  13.637
 1217   2HZ   LYS  10          2HZ       LYS  10   7.842  -2.673  15.005
 1218   3HZ   LYS  10          3HZ       LYS  10   6.676  -1.441  15.082
 1219    H    SER  11           H        SER  11  10.476  -6.968  15.448
 1220    HA   SER  11           HA       SER  11   9.418  -9.501  16.516
 1221   1HB   SER  11          1HB       SER  11  10.439 -10.554  14.733
 1222   2HB   SER  11          2HB       SER  11  11.616  -9.260  14.509
 1223    HG   SER  11           HG       SER  11  12.597 -11.126  15.347
 1224    HA   PRO  12           HA       PRO  12  13.429  -8.484  18.957
 1225   1HB   PRO  12          1HB       PRO  12  14.749  -6.159  18.144
 1226   2HB   PRO  12          2HB       PRO  12  15.252  -7.806  17.727
 1227   1HG   PRO  12          1HG       PRO  12  13.725  -5.821  16.126
 1228   2HG   PRO  12          2HG       PRO  12  14.934  -7.002  15.604
 1229   1HD   PRO  12          1HD       PRO  12  12.295  -7.364  15.201
 1230   2HD   PRO  12          2HD       PRO  12  13.399  -8.718  15.504
 1231    H    LEU  13           H        LEU  13  14.191  -5.985  20.002
 1232    HA   LEU  13           HA       LEU  13  11.914  -5.178  21.482
 1233   1HB   LEU  13          1HB       LEU  13  14.678  -4.622  21.296
 1234   2HB   LEU  13          2HB       LEU  13  13.875  -3.061  21.131
 1235    HG   LEU  13           HG       LEU  13  13.006  -4.978  23.281
 1236   1HD1  LEU  13          1HD1      LEU  13  15.624  -4.273  23.133
 1237   2HD1  LEU  13          2HD1      LEU  13  14.771  -4.505  24.659
 1238   3HD1  LEU  13          3HD1      LEU  13  14.978  -2.881  24.003
 1239   1HD2  LEU  13          1HD2      LEU  13  12.824  -2.503  24.316
 1240   2HD2  LEU  13          2HD2      LEU  13  11.552  -3.194  23.309
 1241   3HD2  LEU  13          3HD2      LEU  13  12.731  -2.088  22.604
 1242    H    GLY  14           H        GLY  14  13.154  -4.038  18.376
 1243   1HA   GLY  14          1HA       GLY  14  10.644  -2.823  17.672
 1244   2HA   GLY  14          2HA       GLY  14  11.805  -1.581  18.140
 1245    H    GLY  15           H        GLY  15  10.663  -2.100  15.466
 1246   1HA   GLY  15          1HA       GLY  15  12.481  -1.437  13.656
 1247   2HA   GLY  15          2HA       GLY  15  13.019  -3.090  13.951
 1248    H    TYR  16           H        TYR  16  11.849  -1.888  11.478
 1249    HA   TYR  16           HA       TYR  16   9.600  -3.838  11.160
 1250   1HB   TYR  16          1HB       TYR  16   9.233  -1.167  11.448
 1251   2HB   TYR  16          2HB       TYR  16   9.501  -1.238   9.707
 1252    HD1  TYR  16           HD1      TYR  16   6.936  -1.000  11.863
 1253    HD2  TYR  16           HD2      TYR  16   8.338  -3.721   8.849
 1254    HE1  TYR  16           HE1      TYR  16   4.622  -1.829  11.534
 1255    HE2  TYR  16           HE2      TYR  16   6.024  -4.549   8.521
 1256    HH   TYR  16           HH       TYR  16   3.865  -4.631  10.070
 1257    H    GLY  17           H        GLY  17  11.126  -5.221  10.032
 1258   1HA   GLY  17          1HA       GLY  17  11.726  -4.260   7.268
 1259   2HA   GLY  17          2HA       GLY  17  12.949  -5.140   8.188
 1260    H    VAL  18           H        VAL  18  12.606  -6.593   6.134
 1261    HA   VAL  18           HA       VAL  18  10.230  -8.369   6.494
 1262    HB   VAL  18           HB       VAL  18  12.254  -8.013   4.253
 1263   1HG1  VAL  18          1HG1      VAL  18  10.709  -9.453   2.950
 1264   2HG1  VAL  18          2HG1      VAL  18   9.735  -9.700   4.400
 1265   3HG1  VAL  18          3HG1      VAL  18  11.385 -10.317   4.331
 1266   1HG2  VAL  18          1HG2      VAL  18   9.773  -7.367   3.280
 1267   2HG2  VAL  18          2HG2      VAL  18  10.944  -6.193   3.879
 1268   3HG2  VAL  18          3HG2      VAL  18   9.665  -6.783   4.940
 1269    H    PHE  19           H        PHE  19  10.511 -10.528   7.048
 1270    HA   PHE  19           HA       PHE  19  13.318 -11.397   7.638
 1271   1HB   PHE  19          1HB       PHE  19  10.675 -11.622   8.943
 1272   2HB   PHE  19          2HB       PHE  19  11.612 -13.116   8.952
 1273    HD1  PHE  19           HD1      PHE  19  12.460  -9.467   9.250
 1274    HD2  PHE  19           HD2      PHE  19  12.781 -13.401  10.946
 1275    HE1  PHE  19           HE1      PHE  19  13.871  -8.564  11.078
 1276    HE2  PHE  19           HE2      PHE  19  14.192 -12.497  12.774
 1277    HZ   PHE  19           HZ       PHE  19  14.737 -10.079  12.840
 1278    H    ALA  20           H        ALA  20  14.100 -12.960   6.294
 1279    HA   ALA  20           HA       ALA  20  12.270 -14.302   4.411
 1280   1HB   ALA  20          1HB       ALA  20  14.133 -14.030   3.155
 1281   2HB   ALA  20          2HB       ALA  20  14.985 -15.168   4.199
 1282   3HB   ALA  20          3HB       ALA  20  15.010 -13.444   4.569
 1283    H    ARG  21           H        ARG  21  11.171 -15.923   5.596
 1284    HA   ARG  21           HA       ARG  21  12.468 -17.742   7.439
 1285   1HB   ARG  21          1HB       ARG  21   9.862 -17.245   6.204
 1286   2HB   ARG  21          2HB       ARG  21  10.193 -18.971   6.351
 1287   1HG   ARG  21          1HG       ARG  21   9.987 -18.922   8.605
 1288   2HG   ARG  21          2HG       ARG  21  10.960 -17.457   8.741
 1289   1HD   ARG  21          1HD       ARG  21   9.116 -16.079   8.691
 1290   2HD   ARG  21          2HD       ARG  21   8.239 -17.130   7.564
 1291    HE   ARG  21           HE       ARG  21   8.215 -17.345  10.481
 1292   1HH1  ARG  21          1HH1      ARG  21   7.900 -19.053   7.463
 1293   2HH1  ARG  21          2HH1      ARG  21   6.950 -20.322   8.155
 1294   1HH2  ARG  21          1HH2      ARG  21   6.981 -19.004  11.354
 1295   2HH2  ARG  21          2HH2      ARG  21   6.432 -20.296  10.340
 1296    H    LYS  22           H        LYS  22  12.254 -17.534   3.980
 1297    HA   LYS  22           HA       LYS  22  13.008 -20.374   3.569
 1298   1HB   LYS  22          1HB       LYS  22  12.600 -18.086   1.599
 1299   2HB   LYS  22          2HB       LYS  22  12.580 -19.806   1.229
 1300   1HG   LYS  22          1HG       LYS  22  10.689 -19.385   3.308
 1301   2HG   LYS  22          2HG       LYS  22  10.399 -18.157   2.076
 1302   1HD   LYS  22          1HD       LYS  22  10.030 -19.765   0.390
 1303   2HD   LYS  22          2HD       LYS  22  10.822 -21.043   1.311
 1304   1HE   LYS  22          1HE       LYS  22   8.702 -20.131   2.946
 1305   2HE   LYS  22          2HE       LYS  22   8.029 -20.296   1.314
 1306   1HZ   LYS  22          1HZ       LYS  22   9.254 -22.470   1.203
 1307   2HZ   LYS  22          2HZ       LYS  22   7.954 -22.441   2.296
 1308   3HZ   LYS  22          3HZ       LYS  22   9.548 -22.320   2.869
 1309    H    SER  23           H        SER  23  16.302 -19.546   2.085
 1310    HA   SER  23           HA       SER  23  13.815 -21.183   1.831
 1311   1HB   SER  23          1HB       SER  23  15.802 -22.413   2.425
 1312   2HB   SER  23          2HB       SER  23  15.503 -22.748   0.720
 1313    HG   SER  23           HG       SER  23  17.379 -21.937   0.335
 1314    H    PHE  24           H        PHE  24  15.780 -18.862   0.159
 1315    HA   PHE  24           HA       PHE  24  14.153 -19.326  -2.315
 1316   1HB   PHE  24          1HB       PHE  24  15.324 -16.906  -0.928
 1317   2HB   PHE  24          2HB       PHE  24  14.816 -16.824  -2.615
 1318    HD1  PHE  24           HD1      PHE  24  13.714 -15.805   0.368
 1319    HD2  PHE  24           HD2      PHE  24  12.447 -18.485  -2.741
 1320    HE1  PHE  24           HE1      PHE  24  11.359 -15.529   1.091
 1321    HE2  PHE  24           HE2      PHE  24  10.091 -18.209  -2.017
 1322    HZ   PHE  24           HZ       PHE  24   9.547 -16.731  -0.102
 1323    H    GLU  25           H        GLU  25  15.296 -18.671  -4.364
 1324    HA   GLU  25           HA       GLU  25  18.164 -19.514  -4.253
 1325   1HB   GLU  25          1HB       GLU  25  15.943 -20.331  -5.752
 1326   2HB   GLU  25          2HB       GLU  25  16.878 -19.343  -6.875
 1327   1HG   GLU  25          1HG       GLU  25  18.924 -20.696  -6.005
 1328   2HG   GLU  25          2HG       GLU  25  17.720 -21.839  -5.409
 1329    H    LYS  26           H        LYS  26  18.772 -18.493  -6.873
 1330    HA   LYS  26           HA       LYS  26  19.038 -15.602  -6.198
 1331   1HB   LYS  26          1HB       LYS  26  20.947 -17.280  -6.759
 1332   2HB   LYS  26          2HB       LYS  26  20.396 -17.132  -8.427
 1333   1HG   LYS  26          1HG       LYS  26  20.654 -14.651  -8.245
 1334   2HG   LYS  26          2HG       LYS  26  21.326 -14.872  -6.630
 1335   1HD   LYS  26          1HD       LYS  26  23.234 -16.015  -7.463
 1336   2HD   LYS  26          2HD       LYS  26  22.483 -16.287  -9.036
 1337   1HE   LYS  26          1HE       LYS  26  23.581 -14.411  -9.719
 1338   2HE   LYS  26          2HE       LYS  26  22.430 -13.501  -8.722
 1339   1HZ   LYS  26          1HZ       LYS  26  25.077 -14.589  -7.928
 1340   2HZ   LYS  26          2HZ       LYS  26  23.922 -14.081  -6.791
 1341   3HZ   LYS  26          3HZ       LYS  26  24.569 -12.968  -7.900
 1342    H    GLY  27           H        GLY  27  17.257 -14.513  -7.026
 1343   1HA   GLY  27          1HA       GLY  27  16.434 -13.362  -9.032
 1344   2HA   GLY  27          2HA       GLY  27  16.763 -14.830  -9.952
 1345    H    GLU  28           H        GLU  28  15.102 -14.540  -6.813
 1346    HA   GLU  28           HA       GLU  28  12.687 -15.746  -8.124
 1347   1HB   GLU  28          1HB       GLU  28  14.133 -16.142  -5.524
 1348   2HB   GLU  28          2HB       GLU  28  12.393 -16.425  -5.558
 1349   1HG   GLU  28          1HG       GLU  28  12.923 -17.826  -7.704
 1350   2HG   GLU  28          2HG       GLU  28  14.569 -17.848  -7.072
 1351    H    LEU  29           H        LEU  29  10.862 -14.502  -8.051
 1352    HA   LEU  29           HA       LEU  29  10.820 -11.865  -6.935
 1353   1HB   LEU  29          1HB       LEU  29   9.448 -13.033  -8.825
 1354   2HB   LEU  29          2HB       LEU  29   8.398 -13.583  -7.521
 1355    HG   LEU  29           HG       LEU  29   7.583 -11.468  -8.541
 1356   1HD1  LEU  29          1HD1      LEU  29   7.601 -12.103  -5.934
 1357   2HD1  LEU  29          2HD1      LEU  29   6.914 -10.590  -6.525
 1358   3HD1  LEU  29          3HD1      LEU  29   8.544 -10.616  -5.853
 1359   1HD2  LEU  29          1HD2      LEU  29   9.519  -9.688  -7.360
 1360   2HD2  LEU  29          2HD2      LEU  29   9.002  -9.798  -9.042
 1361   3HD2  LEU  29          3HD2      LEU  29  10.331 -10.800  -8.461
 1362    H    VAL  30           H        VAL  30  10.550 -11.288  -4.830
 1363    HA   VAL  30           HA       VAL  30   9.414 -13.283  -2.921
 1364    HB   VAL  30           HB       VAL  30  10.964 -10.699  -2.496
 1365   1HG1  VAL  30          1HG1      VAL  30   9.452 -12.257  -0.704
 1366   2HG1  VAL  30          2HG1      VAL  30  10.632 -11.013  -0.288
 1367   3HG1  VAL  30          3HG1      VAL  30  11.133 -12.700  -0.404
 1368   1HG2  VAL  30          1HG2      VAL  30  12.632 -12.728  -1.765
 1369   2HG2  VAL  30          2HG2      VAL  30  12.651 -11.974  -3.359
 1370   3HG2  VAL  30          3HG2      VAL  30  11.772 -13.482  -3.107
 1371    H    GLU  31           H        GLU  31   7.203 -12.730  -3.757
 1372    HA   GLU  31           HA       GLU  31   5.121 -11.666  -3.452
 1373   1HB   GLU  31          1HB       GLU  31   6.069 -11.765  -1.070
 1374   2HB   GLU  31          2HB       GLU  31   6.558 -10.086  -1.298
 1375   1HG   GLU  31          1HG       GLU  31   4.389  -9.307  -1.291
 1376   2HG   GLU  31          2HG       GLU  31   3.741 -10.796  -1.978
 1377    H    GLU  32           H        GLU  32   4.193 -10.006  -4.579
 1378    HA   GLU  32           HA       GLU  32   5.859  -7.574  -5.130
 1379   1HB   GLU  32          1HB       GLU  32   5.821  -8.937  -7.099
 1380   2HB   GLU  32          2HB       GLU  32   4.123  -9.348  -6.874
 1381   1HG   GLU  32          1HG       GLU  32   3.528  -6.964  -7.294
 1382   2HG   GLU  32          2HG       GLU  32   5.227  -6.624  -7.624
 1383    H    CYS  33           H        CYS  33   4.534  -5.616  -5.549
 1384    HA   CYS  33           HA       CYS  33   1.677  -5.757  -4.758
 1385   1HB   CYS  33          1HB       CYS  33   3.795  -5.188  -2.966
 1386   2HB   CYS  33          2HB       CYS  33   3.025  -3.638  -3.305
 1387    HG   CYS  33           HG       CYS  33   1.209  -4.357  -1.791
 1388    H    LEU  34           H        LEU  34   1.108  -3.107  -4.515
 1389    HA   LEU  34           HA       LEU  34   1.961  -1.983  -7.158
 1390   1HB   LEU  34          1HB       LEU  34  -0.532  -2.599  -6.043
 1391   2HB   LEU  34          2HB       LEU  34  -0.419  -0.846  -5.899
 1392    HG   LEU  34           HG       LEU  34   0.564  -1.288  -8.433
 1393   1HD1  LEU  34          1HD1      LEU  34  -1.493  -3.359  -7.715
 1394   2HD1  LEU  34          2HD1      LEU  34   0.013  -3.564  -8.609
 1395   3HD1  LEU  34          3HD1      LEU  34  -1.363  -2.762  -9.369
 1396   1HD2  LEU  34          1HD2      LEU  34  -2.115  -0.849  -8.875
 1397   2HD2  LEU  34          2HD2      LEU  34  -0.950   0.410  -8.465
 1398   3HD2  LEU  34          3HD2      LEU  34  -1.935  -0.326  -7.201
 1399    H    CYS  35           H        CYS  35   1.722   0.535  -7.136
 1400    HA   CYS  35           HA       CYS  35   2.588   1.684  -4.513
 1401   1HB   CYS  35          1HB       CYS  35   3.978   1.634  -7.188
 1402   2HB   CYS  35          2HB       CYS  35   4.256   2.988  -6.092
 1403    HG   CYS  35           HG       CYS  35   5.846   1.507  -4.916
 1404    H    ILE  36           H        ILE  36   2.910   4.267  -5.119
 1405    HA   ILE  36           HA       ILE  36   0.384   5.063  -6.542
 1406    HB   ILE  36           HB       ILE  36   1.808   6.460  -4.249
 1407   1HG1  ILE  36          1HG1      ILE  36  -0.690   4.752  -4.102
 1408   2HG1  ILE  36          2HG1      ILE  36   0.913   4.182  -3.638
 1409   1HG2  ILE  36          1HG2      ILE  36  -0.015   7.468  -6.014
 1410   2HG2  ILE  36          2HG2      ILE  36   0.170   8.038  -4.355
 1411   3HG2  ILE  36          3HG2      ILE  36  -1.077   6.853  -4.747
 1412   1HD1  ILE  36          1HD1      ILE  36   0.251   6.776  -2.450
 1413   2HD1  ILE  36          2HD1      ILE  36   0.852   5.311  -1.675
 1414   3HD1  ILE  36          3HD1      ILE  36  -0.873   5.505  -1.975
 1415    H    VAL  37           H        VAL  37   0.590   6.750  -8.046
 1416    HA   VAL  37           HA       VAL  37   3.373   7.776  -8.483
 1417    HB   VAL  37           HB       VAL  37   0.999   7.416 -10.348
 1418   1HG1  VAL  37          1HG1      VAL  37   2.884   7.853 -12.078
 1419   2HG1  VAL  37          2HG1      VAL  37   3.758   8.575 -10.728
 1420   3HG1  VAL  37          3HG1      VAL  37   2.207   9.245 -11.233
 1421   1HG2  VAL  37          1HG2      VAL  37   3.286   5.750  -9.539
 1422   2HG2  VAL  37          2HG2      VAL  37   3.093   5.898 -11.285
 1423   3HG2  VAL  37          3HG2      VAL  37   1.767   5.277 -10.301
 1424    H    ARG  38           H        ARG  38   3.631   9.895  -7.948
 1425    HA   ARG  38           HA       ARG  38   1.420  11.816  -8.439
 1426   1HB   ARG  38          1HB       ARG  38   1.060  10.887  -6.192
 1427   2HB   ARG  38          2HB       ARG  38   2.733  11.227  -5.761
 1428   1HG   ARG  38          1HG       ARG  38   1.088  12.922  -4.891
 1429   2HG   ARG  38          2HG       ARG  38   2.354  13.608  -5.899
 1430   1HD   ARG  38          1HD       ARG  38   0.845  13.749  -7.802
 1431   2HD   ARG  38          2HD       ARG  38  -0.407  12.850  -6.925
 1432    HE   ARG  38           HE       ARG  38   0.340  15.059  -5.310
 1433   1HH1  ARG  38          1HH1      ARG  38  -1.161  14.430  -8.387
 1434   2HH1  ARG  38          2HH1      ARG  38  -2.114  15.872  -8.341
 1435   1HH2  ARG  38          1HH2      ARG  38  -0.907  16.925  -5.273
 1436   2HH2  ARG  38          2HH2      ARG  38  -1.973  17.276  -6.593
 1437    H    HIS  39           H        HIS  39   2.269  13.721  -9.183
 1438    HA   HIS  39           HA       HIS  39   4.966  14.105  -9.842
 1439   1HB   HIS  39          1HB       HIS  39   2.671  16.000  -9.270
 1440   2HB   HIS  39          2HB       HIS  39   4.206  16.559  -9.935
 1441    HD1  HIS  39           HD1      HIS  39   1.729  16.839 -11.688
 1442    HD2  HIS  39           HD2      HIS  39   4.149  13.445 -11.729
 1443    HE1  HIS  39           HE1      HIS  39   1.334  15.705 -13.917
 1444    H    ASN  40           H        ASN  40   6.067  16.335  -8.940
 1445    HA   ASN  40           HA       ASN  40   6.634  15.755  -6.079
 1446   1HB   ASN  40          1HB       ASN  40   8.650  17.122  -6.571
 1447   2HB   ASN  40          2HB       ASN  40   8.451  15.837  -7.763
 1448   1HD2  ASN  40          1HD2      ASN  40   9.195  19.066  -7.557
 1449   2HD2  ASN  40          2HD2      ASN  40   8.642  19.584  -9.076
 1450    H    ASP  41           H        ASP  41   5.559  16.965  -4.607
 1451    HA   ASP  41           HA       ASP  41   5.572  19.845  -4.601
 1452   1HB   ASP  41          1HB       ASP  41   3.166  20.180  -5.081
 1453   2HB   ASP  41          2HB       ASP  41   3.948  19.388  -6.447
 1454    H    ASP  42           H        ASP  42   2.797  19.760  -3.219
 1455    HA   ASP  42           HA       ASP  42   3.569  19.385  -0.532
 1456   1HB   ASP  42          1HB       ASP  42   0.874  18.883  -1.855
 1457   2HB   ASP  42          2HB       ASP  42   1.127  19.246  -0.148
 1458    H    TRP  43           H        TRP  43   2.735  17.051  -2.987
 1459    HA   TRP  43           HA       TRP  43   2.099  14.763  -1.446
 1460   1HB   TRP  43          1HB       TRP  43   1.866  14.801  -3.842
 1461   2HB   TRP  43          2HB       TRP  43   3.552  15.259  -4.067
 1462    HD1  TRP  43           HD1      TRP  43   5.184  13.367  -4.536
 1463    HE1  TRP  43           HE1      TRP  43   5.125  10.797  -4.342
 1464    HE3  TRP  43           HE3      TRP  43   0.664  12.765  -2.246
 1465    HZ2  TRP  43           HZ2      TRP  43   3.386   8.757  -3.346
 1466    HZ3  TRP  43           HZ3      TRP  43  -0.168  10.500  -1.686
 1467    HH2  TRP  43           HH2      TRP  43   1.185   8.503  -2.237
 1468    H    GLY  44           H        GLY  44   5.316  15.732  -2.719
 1469   1HA   GLY  44          1HA       GLY  44   6.777  13.742  -1.286
 1470   2HA   GLY  44          2HA       GLY  44   7.470  15.225  -1.942
 1471    H    THR  45           H        THR  45   5.565  16.897  -0.351
 1472    HA   THR  45           HA       THR  45   7.204  17.189   2.021
 1473    HB   THR  45           HB       THR  45   4.474  18.343   1.350
 1474    HG1  THR  45           HG1      THR  45   5.493  19.244  -0.228
 1475   1HG2  THR  45          1HG2      THR  45   4.766  19.343   3.355
 1476   2HG2  THR  45          2HG2      THR  45   6.081  20.248   2.606
 1477   3HG2  THR  45          3HG2      THR  45   6.424  18.756   3.480
 1478    H    ALA  46           H        ALA  46   3.861  16.026   1.470
 1479    HA   ALA  46           HA       ALA  46   3.456  15.404   4.299
 1480   1HB   ALA  46          1HB       ALA  46   1.419  15.805   3.327
 1481   2HB   ALA  46          2HB       ALA  46   1.498  14.102   2.874
 1482   3HB   ALA  46          3HB       ALA  46   1.995  15.344   1.724
 1483    H    LEU  47           H        LEU  47   4.146  13.543   1.336
 1484    HA   LEU  47           HA       LEU  47   4.228  11.010   2.867
 1485   1HB   LEU  47          1HB       LEU  47   4.421  11.887  -0.018
 1486   2HB   LEU  47          2HB       LEU  47   4.864  10.243   0.435
 1487    HG   LEU  47           HG       LEU  47   2.516  10.302  -0.244
 1488   1HD1  LEU  47          1HD1      LEU  47   3.476   9.177   2.061
 1489   2HD1  LEU  47          2HD1      LEU  47   1.854   8.904   1.423
 1490   3HD1  LEU  47          3HD1      LEU  47   2.117  10.119   2.674
 1491   1HD2  LEU  47          1HD2      LEU  47   1.757  12.018   2.072
 1492   2HD2  LEU  47          2HD2      LEU  47   0.985  11.851   0.495
 1493   3HD2  LEU  47          3HD2      LEU  47   2.446  12.825   0.663
 1494    H    GLU  48           H        GLU  48   6.302  13.293   3.148
 1495    HA   GLU  48           HA       GLU  48   8.779  12.435   1.990
 1496   1HB   GLU  48          1HB       GLU  48   9.713  13.955   3.729
 1497   2HB   GLU  48          2HB       GLU  48   8.310  14.674   2.939
 1498   1HG   GLU  48          1HG       GLU  48   7.360  14.913   4.966
 1499   2HG   GLU  48          2HG       GLU  48   7.293  13.155   5.092
 1500    H    ASP  49           H        ASP  49   8.528  10.031   2.431
 1501    HA   ASP  49           HA       ASP  49  10.087   9.272   4.773
 1502   1HB   ASP  49          1HB       ASP  49   7.225   9.498   4.933
 1503   2HB   ASP  49          2HB       ASP  49   7.656   7.794   5.072
 1504    H    TYR  50           H        TYR  50   7.523   7.723   2.789
 1505    HA   TYR  50           HA       TYR  50   9.576   5.701   1.938
 1506   1HB   TYR  50          1HB       TYR  50   6.581   5.299   2.281
 1507   2HB   TYR  50          2HB       TYR  50   7.809   4.049   2.086
 1508    HD1  TYR  50           HD1      TYR  50   5.772   5.600   4.436
 1509    HD2  TYR  50           HD2      TYR  50   9.845   4.345   3.899
 1510    HE1  TYR  50           HE1      TYR  50   6.075   5.535   6.896
 1511    HE2  TYR  50           HE2      TYR  50  10.148   4.280   6.361
 1512    HH   TYR  50           HH       TYR  50   8.714   4.033   8.383
 1513    H    LEU  51           H        LEU  51   9.464   7.844   0.315
 1514    HA   LEU  51           HA       LEU  51   7.508   7.201  -1.854
 1515   1HB   LEU  51          1HB       LEU  51   9.019   9.639  -0.914
 1516   2HB   LEU  51          2HB       LEU  51   8.410   9.580  -2.566
 1517    HG   LEU  51           HG       LEU  51   6.763   9.278  -0.035
 1518   1HD1  LEU  51          1HD1      LEU  51   7.359  11.496  -1.931
 1519   2HD1  LEU  51          2HD1      LEU  51   6.978  11.560  -0.210
 1520   3HD1  LEU  51          3HD1      LEU  51   5.687  11.347  -1.391
 1521   1HD2  LEU  51          1HD2      LEU  51   4.920   9.530  -1.936
 1522   2HD2  LEU  51          2HD2      LEU  51   5.575   7.950  -1.513
 1523   3HD2  LEU  51          3HD2      LEU  51   6.180   8.803  -2.932
 1524    H    PHE  52           H        PHE  52   8.429   5.888  -3.381
 1525    HA   PHE  52           HA       PHE  52  11.324   6.097  -4.011
 1526   1HB   PHE  52          1HB       PHE  52   9.130   4.171  -4.251
 1527   2HB   PHE  52          2HB       PHE  52  10.035   4.315  -5.757
 1528    HD1  PHE  52           HD1      PHE  52   9.856   2.318  -3.036
 1529    HD2  PHE  52           HD2      PHE  52  12.752   4.778  -5.038
 1530    HE1  PHE  52           HE1      PHE  52  11.685   0.951  -2.069
 1531    HE2  PHE  52           HE2      PHE  52  14.582   3.411  -4.071
 1532    HZ   PHE  52           HZ       PHE  52  14.048   1.497  -2.587
 1533    H    SER  53           H        SER  53  11.599   8.014  -5.207
 1534    HA   SER  53           HA       SER  53   9.639   8.612  -7.364
 1535   1HB   SER  53          1HB       SER  53  10.457  10.840  -7.149
 1536   2HB   SER  53          2HB       SER  53  10.470  10.215  -5.500
 1537    HG   SER  53           HG       SER  53  12.693   9.659  -5.869
 1538    H    ARG  54           H        ARG  54  10.227   8.704  -9.518
 1539    HA   ARG  54           HA       ARG  54  12.923   7.634 -10.219
 1540   1HB   ARG  54          1HB       ARG  54  10.255   7.160 -11.046
 1541   2HB   ARG  54          2HB       ARG  54  11.039   7.971 -12.401
 1542   1HG   ARG  54          1HG       ARG  54  12.887   6.327 -12.305
 1543   2HG   ARG  54          2HG       ARG  54  12.080   5.508 -10.968
 1544   1HD   ARG  54          1HD       ARG  54  10.044   5.322 -12.567
 1545   2HD   ARG  54          2HD       ARG  54  11.206   5.698 -13.855
 1546    HE   ARG  54           HE       ARG  54  12.177   3.644 -12.026
 1547   1HH1  ARG  54          1HH1      ARG  54  10.217   4.275 -14.833
 1548   2HH1  ARG  54          2HH1      ARG  54  10.392   2.670 -15.452
 1549   1HH2  ARG  54          1HH2      ARG  54  12.389   1.566 -12.850
 1550   2HH2  ARG  54          2HH2      ARG  54  11.612   1.146 -14.340
 1551    H    LYS  55           H        LYS  55  13.411   8.602 -12.656
 1552    HA   LYS  55           HA       LYS  55  13.973  11.426 -12.196
 1553   1HB   LYS  55          1HB       LYS  55  14.415   9.442 -14.446
 1554   2HB   LYS  55          2HB       LYS  55  14.966  11.115 -14.545
 1555   1HG   LYS  55          1HG       LYS  55  15.958  10.490 -12.122
 1556   2HG   LYS  55          2HG       LYS  55  15.971   8.882 -12.847
 1557   1HD   LYS  55          1HD       LYS  55  16.971  10.438 -14.886
 1558   2HD   LYS  55          2HD       LYS  55  17.640  11.229 -13.458
 1559   1HE   LYS  55          1HE       LYS  55  19.231   9.600 -13.472
 1560   2HE   LYS  55          2HE       LYS  55  17.955   8.486 -12.947
 1561   1HZ   LYS  55          1HZ       LYS  55  17.314   8.322 -15.347
 1562   2HZ   LYS  55          2HZ       LYS  55  18.828   7.643 -14.982
 1563   3HZ   LYS  55          3HZ       LYS  55  18.738   9.163 -15.734
 1564    H    ASN  56           H        ASN  56  11.685  12.140 -12.074
 1565    HA   ASN  56           HA       ASN  56  10.102  12.049 -14.563
 1566   1HB   ASN  56          1HB       ASN  56  11.277  14.596 -13.387
 1567   2HB   ASN  56          2HB       ASN  56  11.758  13.851 -14.912
 1568   1HD2  ASN  56          1HD2      ASN  56  10.445  16.550 -14.381
 1569   2HD2  ASN  56          2HD2      ASN  56   9.046  16.545 -15.341
 1570    H    MET  57           H        MET  57   9.963  11.480 -11.491
 1571    HA   MET  57           HA       MET  57   7.999  13.343 -10.441
 1572   1HB   MET  57          1HB       MET  57   6.056  11.786 -10.748
 1573   2HB   MET  57          2HB       MET  57   6.713  12.354 -12.282
 1574   1HG   MET  57          1HG       MET  57   8.141   9.993 -11.462
 1575   2HG   MET  57          2HG       MET  57   6.410   9.665 -11.408
 1576   1HE   MET  57          1HE       MET  57   5.333  11.671 -14.105
 1577   2HE   MET  57          2HE       MET  57   4.857  10.420 -12.956
 1578   3HE   MET  57          3HE       MET  57   4.987  10.037 -14.673
 1579    H    SER  58           H        SER  58   6.651  12.028  -8.629
 1580    HA   SER  58           HA       SER  58   8.595  10.218  -7.235
 1581   1HB   SER  58          1HB       SER  58   7.282  11.372  -5.198
 1582   2HB   SER  58          2HB       SER  58   8.676  12.149  -5.946
 1583    HG   SER  58           HG       SER  58   7.395  13.693  -6.497
 1584    H    ALA  59           H        ALA  59   7.698   8.392  -6.233
 1585    HA   ALA  59           HA       ALA  59   4.719   8.102  -6.316
 1586   1HB   ALA  59          1HB       ALA  59   6.908   6.479  -7.570
 1587   2HB   ALA  59          2HB       ALA  59   5.302   6.854  -8.197
 1588   3HB   ALA  59          3HB       ALA  59   5.498   5.614  -6.958
 1589    H    MET  60           H        MET  60   3.972   6.343  -4.803
 1590    HA   MET  60           HA       MET  60   5.735   6.230  -2.403
 1591   1HB   MET  60          1HB       MET  60   3.042   6.729  -2.802
 1592   2HB   MET  60          2HB       MET  60   3.039   5.040  -2.295
 1593   1HG   MET  60          1HG       MET  60   4.843   6.163  -0.546
 1594   2HG   MET  60          2HG       MET  60   3.674   7.466  -0.751
 1595   1HE   MET  60          1HE       MET  60   3.748   7.261   1.526
 1596   2HE   MET  60          2HE       MET  60   3.312   5.885   2.539
 1597   3HE   MET  60          3HE       MET  60   2.073   7.032   2.028
 1598    H    ALA  61           H        ALA  61   5.737   4.070  -1.218
 1599    HA   ALA  61           HA       ALA  61   6.481   1.958  -3.091
 1600   1HB   ALA  61          1HB       ALA  61   6.887   2.742  -0.346
 1601   2HB   ALA  61          2HB       ALA  61   7.815   1.588  -1.303
 1602   3HB   ALA  61          3HB       ALA  61   6.403   1.047  -0.396
 1603    H    LEU  62           H        LEU  62   3.579   2.788  -1.410
 1604    HA   LEU  62           HA       LEU  62   2.038   0.757  -2.662
 1605   1HB   LEU  62          1HB       LEU  62   0.922   1.705  -0.148
 1606   2HB   LEU  62          2HB       LEU  62   1.686   3.026  -1.033
 1607    HG   LEU  62           HG       LEU  62   0.406   2.373  -3.063
 1608   1HD1  LEU  62          1HD1      LEU  62  -1.661   0.812  -2.174
 1609   2HD1  LEU  62          2HD1      LEU  62  -0.301   0.127  -1.282
 1610   3HD1  LEU  62          3HD1      LEU  62  -0.256   0.195  -3.044
 1611   1HD2  LEU  62          1HD2      LEU  62  -1.735   2.600  -1.027
 1612   2HD2  LEU  62          2HD2      LEU  62  -1.390   3.628  -2.418
 1613   3HD2  LEU  62          3HD2      LEU  62  -0.464   3.819  -0.929
 1614    H    GLY  63           H        GLY  63   2.917  -1.330  -2.265
 1615   1HA   GLY  63          1HA       GLY  63   1.892  -2.702   0.014
 1616   2HA   GLY  63          2HA       GLY  63   3.063  -3.368  -1.121
 1617    H    PHE  64           H        PHE  64   4.674  -4.185   0.134
 1618    HA   PHE  64           HA       PHE  64   5.524  -2.807   2.600
 1619   1HB   PHE  64          1HB       PHE  64   6.325  -5.357   1.156
 1620   2HB   PHE  64          2HB       PHE  64   7.004  -4.866   2.708
 1621    HD1  PHE  64           HD1      PHE  64   4.989  -3.963   4.384
 1622    HD2  PHE  64           HD2      PHE  64   4.640  -6.948   1.314
 1623    HE1  PHE  64           HE1      PHE  64   3.023  -4.930   5.547
 1624    HE2  PHE  64           HE2      PHE  64   2.674  -7.914   2.477
 1625    HZ   PHE  64           HZ       PHE  64   1.866  -6.905   4.593
 1626    H    GLY  65           H        GLY  65   6.055  -1.275   0.228
 1627   1HA   GLY  65          1HA       GLY  65   8.868  -1.671  -0.486
 1628   2HA   GLY  65          2HA       GLY  65   7.839  -0.348  -1.030
 1629    H    ALA  66           H        ALA  66   7.080   0.007   1.955
 1630    HA   ALA  66           HA       ALA  66   9.224   1.943   2.535
 1631   1HB   ALA  66          1HB       ALA  66   6.619   1.180   3.910
 1632   2HB   ALA  66          2HB       ALA  66   6.835   2.506   2.768
 1633   3HB   ALA  66          3HB       ALA  66   7.614   2.568   4.350
 1634    H    ILE  67           H        ILE  67   7.681  -0.796   4.266
 1635    HA   ILE  67           HA       ILE  67   9.193  -0.894   6.582
 1636    HB   ILE  67           HB       ILE  67   8.799  -3.395   6.417
 1637   1HG1  ILE  67          1HG1      ILE  67   7.187  -3.841   4.349
 1638   2HG1  ILE  67          2HG1      ILE  67   8.156  -2.572   3.608
 1639   1HG2  ILE  67          1HG2      ILE  67   7.101  -1.698   7.214
 1640   2HG2  ILE  67          2HG2      ILE  67   6.411  -3.191   6.578
 1641   3HG2  ILE  67          3HG2      ILE  67   6.411  -1.729   5.591
 1642   1HD1  ILE  67          1HD1      ILE  67   9.690  -4.639   5.066
 1643   2HD1  ILE  67          2HD1      ILE  67  10.024  -3.875   3.512
 1644   3HD1  ILE  67          3HD1      ILE  67   8.862  -5.197   3.613
 1645    H    PHE  68           H        PHE  68  10.332  -1.657   3.345
 1646    HA   PHE  68           HA       PHE  68  12.552  -3.295   3.872
 1647   1HB   PHE  68          1HB       PHE  68  11.946  -1.071   1.925
 1648   2HB   PHE  68          2HB       PHE  68  13.513  -1.878   1.881
 1649    HD1  PHE  68           HD1      PHE  68  12.899  -4.649   2.532
 1650    HD2  PHE  68           HD2      PHE  68  10.701  -1.866   0.109
 1651    HE1  PHE  68           HE1      PHE  68  11.892  -6.536   1.280
 1652    HE2  PHE  68           HE2      PHE  68   9.693  -3.754  -1.145
 1653    HZ   PHE  68           HZ       PHE  68  10.289  -6.090  -0.559
 1654    H    ASN  69           H        ASN  69  14.638  -2.916   4.661
 1655    HA   ASN  69           HA       ASN  69  15.138  -0.183   5.796
 1656   1HB   ASN  69          1HB       ASN  69  15.819  -2.999   6.693
 1657   2HB   ASN  69          2HB       ASN  69  16.562  -1.577   7.424
 1658   1HD2  ASN  69          1HD2      ASN  69  14.253  -3.696   8.171
 1659   2HD2  ASN  69          2HD2      ASN  69  13.096  -2.689   8.898
 1660    H    HIS  70           H        HIS  70  17.635   0.097   6.170
 1661    HA   HIS  70           HA       HIS  70  18.981  -0.499   3.583
 1662   1HB   HIS  70          1HB       HIS  70  18.737   1.818   4.691
 1663   2HB   HIS  70          2HB       HIS  70  19.918   1.253   5.874
 1664    HD1  HIS  70           HD1      HIS  70  19.598   1.536   2.079
 1665    HD2  HIS  70           HD2      HIS  70  22.530   1.611   5.042
 1666    HE1  HIS  70           HE1      HIS  70  21.784   2.063   0.912
 1667    H    SER  71           H        SER  71  19.713  -2.656   3.882
 1668    HA   SER  71           HA       SER  71  21.541  -3.114   6.215
 1669   1HB   SER  71          1HB       SER  71  19.993  -5.060   4.462
 1670   2HB   SER  71          2HB       SER  71  20.914  -5.480   5.907
 1671    HG   SER  71           HG       SER  71  18.590  -3.876   5.721
 1672    H    LYS  72           H        LYS  72  23.623  -3.895   5.785
 1673    HA   LYS  72           HA       LYS  72  24.873  -3.340   3.298
 1674   1HB   LYS  72          1HB       LYS  72  25.491  -5.037   5.719
 1675   2HB   LYS  72          2HB       LYS  72  26.609  -5.000   4.354
 1676   1HG   LYS  72          1HG       LYS  72  25.615  -2.376   5.358
 1677   2HG   LYS  72          2HG       LYS  72  26.764  -3.238   6.380
 1678   1HD   LYS  72          1HD       LYS  72  28.476  -3.058   4.842
 1679   2HD   LYS  72          2HD       LYS  72  27.377  -3.060   3.462
 1680   1HE   LYS  72          1HE       LYS  72  27.075  -0.779   3.543
 1681   2HE   LYS  72          2HE       LYS  72  27.161  -0.732   5.314
 1682   1HZ   LYS  72          1HZ       LYS  72  29.431  -1.169   3.437
 1683   2HZ   LYS  72          2HZ       LYS  72  29.546  -1.264   5.129
 1684   3HZ   LYS  72          3HZ       LYS  72  29.166   0.215   4.385
 1685    H    ASP  73           H        ASP  73  25.110  -4.559   1.437
 1686    HA   ASP  73           HA       ASP  73  24.722  -6.308  -0.103
 1687   1HB   ASP  73          1HB       ASP  73  26.331  -7.239   1.711
 1688   2HB   ASP  73          2HB       ASP  73  24.919  -8.090   2.338
 1689    HA   PRO  74           HA       PRO  74  20.319  -6.524   1.546
 1690   1HB   PRO  74          1HB       PRO  74  19.260  -5.552  -0.854
 1691   2HB   PRO  74          2HB       PRO  74  19.578  -4.570   0.586
 1692   1HG   PRO  74          1HG       PRO  74  21.183  -4.883  -1.893
 1693   2HG   PRO  74          2HG       PRO  74  20.947  -3.458  -0.873
 1694   1HD   PRO  74          1HD       PRO  74  23.219  -4.926  -0.835
 1695   2HD   PRO  74          2HD       PRO  74  22.601  -4.080   0.600
 1696    H    ASN  75           H        ASN  75  20.087  -8.755   1.411
 1697    HA   ASN  75           HA       ASN  75  20.672 -10.410  -0.812
 1698   1HB   ASN  75          1HB       ASN  75  18.629 -10.672   1.426
 1699   2HB   ASN  75          2HB       ASN  75  19.182 -12.009   0.418
 1700   1HD2  ASN  75          1HD2      ASN  75  20.087  -9.857   3.057
 1701   2HD2  ASN  75          2HD2      ASN  75  21.552 -10.629   3.432
 1702    H    ALA  76           H        ALA  76  17.980  -8.275  -0.277
 1703    HA   ALA  76           HA       ALA  76  16.605  -9.459  -2.668
 1704   1HB   ALA  76          1HB       ALA  76  15.239  -7.883  -0.487
 1705   2HB   ALA  76          2HB       ALA  76  15.607  -9.590  -0.244
 1706   3HB   ALA  76          3HB       ALA  76  14.550  -9.096  -1.566
 1707    H    ARG  77           H        ARG  77  15.711  -7.946  -4.160
 1708    HA   ARG  77           HA       ARG  77  16.515  -5.087  -3.739
 1709   1HB   ARG  77          1HB       ARG  77  17.207  -7.078  -5.785
 1710   2HB   ARG  77          2HB       ARG  77  16.584  -5.581  -6.480
 1711   1HG   ARG  77          1HG       ARG  77  18.300  -4.728  -4.448
 1712   2HG   ARG  77          2HG       ARG  77  19.147  -6.088  -5.184
 1713   1HD   ARG  77          1HD       ARG  77  17.925  -3.840  -6.817
 1714   2HD   ARG  77          2HD       ARG  77  19.617  -3.846  -6.285
 1715    HE   ARG  77           HE       ARG  77  19.183  -6.374  -7.414
 1716   1HH1  ARG  77          1HH1      ARG  77  18.965  -3.057  -8.450
 1717   2HH1  ARG  77          2HH1      ARG  77  19.340  -3.432 -10.096
 1718   1HH2  ARG  77          1HH2      ARG  77  19.668  -6.834  -9.558
 1719   2HH2  ARG  77          2HH2      ARG  77  19.735  -5.553 -10.721
 1720    H    HIS  78           H        HIS  78  15.341  -3.885  -5.845
 1721    HA   HIS  78           HA       HIS  78  12.494  -4.816  -5.880
 1722   1HB   HIS  78          1HB       HIS  78  11.880  -2.418  -5.494
 1723   2HB   HIS  78          2HB       HIS  78  12.807  -3.093  -4.154
 1724    HD1  HIS  78           HD1      HIS  78  15.367  -2.414  -4.024
 1725    HD2  HIS  78           HD2      HIS  78  13.145  -0.311  -6.855
 1726    HE1  HIS  78           HE1      HIS  78  16.768  -0.413  -4.691
 1727    H    GLU  79           H        GLU  79  11.283  -4.023  -7.731
 1728    HA   GLU  79           HA       GLU  79  12.901  -2.770  -9.910
 1729   1HB   GLU  79          1HB       GLU  79  12.979  -5.215 -10.171
 1730   2HB   GLU  79          2HB       GLU  79  11.222  -5.304 -10.040
 1731   1HG   GLU  79          1HG       GLU  79  11.057  -3.839 -12.070
 1732   2HG   GLU  79          2HG       GLU  79  12.810  -3.942 -12.235
 1733    H    LEU  80           H        LEU  80  11.742  -1.057 -10.705
 1734    HA   LEU  80           HA       LEU  80   8.854  -0.847 -10.091
 1735   1HB   LEU  80          1HB       LEU  80  11.026   0.956 -11.184
 1736   2HB   LEU  80          2HB       LEU  80   9.336   1.460 -11.181
 1737    HG   LEU  80           HG       LEU  80  10.511   0.361  -8.653
 1738   1HD1  LEU  80          1HD1      LEU  80  10.691   3.296  -9.040
 1739   2HD1  LEU  80          2HD1      LEU  80  11.882   2.338  -9.921
 1740   3HD1  LEU  80          3HD1      LEU  80  11.769   2.208  -8.166
 1741   1HD2  LEU  80          1HD2      LEU  80   8.047   1.281  -9.346
 1742   2HD2  LEU  80          2HD2      LEU  80   8.784   2.766  -8.745
 1743   3HD2  LEU  80          3HD2      LEU  80   8.683   1.348  -7.702
 1744    H    THR  81           H        THR  81   7.253  -0.596 -11.729
 1745    HA   THR  81           HA       THR  81   7.963  -1.823 -14.338
 1746    HB   THR  81           HB       THR  81   5.404  -1.809 -14.499
 1747    HG1  THR  81           HG1      THR  81   4.288  -1.056 -12.832
 1748   1HG2  THR  81          1HG2      THR  81   7.065  -3.572 -13.328
 1749   2HG2  THR  81          2HG2      THR  81   5.316  -3.794 -13.341
 1750   3HG2  THR  81          3HG2      THR  81   6.108  -3.119 -11.918
 1751    H    ALA  82           H        ALA  82   7.391  -0.769 -16.342
 1752    HA   ALA  82           HA       ALA  82   7.970   1.973 -16.594
 1753   1HB   ALA  82          1HB       ALA  82   7.236  -0.226 -18.202
 1754   2HB   ALA  82          2HB       ALA  82   7.775   1.354 -18.771
 1755   3HB   ALA  82          3HB       ALA  82   6.053   1.029 -18.574
 1756    H    GLY  83           H        GLY  83   6.801   3.309 -15.143
 1757   1HA   GLY  83          1HA       GLY  83   4.688   4.767 -15.620
 1758   2HA   GLY  83          2HA       GLY  83   3.829   3.250 -15.367
 1759    H    LEU  84           H        LEU  84   6.340   2.953 -13.297
 1760    HA   LEU  84           HA       LEU  84   6.527   3.186 -10.956
 1761   1HB   LEU  84          1HB       LEU  84   6.109   5.692 -12.184
 1762   2HB   LEU  84          2HB       LEU  84   5.029   5.684 -10.791
 1763    HG   LEU  84           HG       LEU  84   6.887   5.134  -9.305
 1764   1HD1  LEU  84          1HD1      LEU  84   8.295   4.738 -11.915
 1765   2HD1  LEU  84          2HD1      LEU  84   8.406   3.796 -10.428
 1766   3HD1  LEU  84          3HD1      LEU  84   9.238   5.346 -10.554
 1767   1HD2  LEU  84          1HD2      LEU  84   7.024   7.398  -9.284
 1768   2HD2  LEU  84          2HD2      LEU  84   6.865   7.505 -11.037
 1769   3HD2  LEU  84          3HD2      LEU  84   8.442   7.190 -10.312
 1770    H    LYS  85           H        LYS  85   3.914   2.155 -12.306
 1771    HA   LYS  85           HA       LYS  85   1.903   2.822 -10.243
 1772   1HB   LYS  85          1HB       LYS  85   2.019   1.903 -12.985
 1773   2HB   LYS  85          2HB       LYS  85   0.998   0.821 -12.036
 1774   1HG   LYS  85          1HG       LYS  85  -0.594   2.418 -11.697
 1775   2HG   LYS  85          2HG       LYS  85   0.599   3.701 -11.498
 1776   1HD   LYS  85          1HD       LYS  85   0.980   3.271 -14.096
 1777   2HD   LYS  85          2HD       LYS  85  -0.673   2.662 -13.999
 1778   1HE   LYS  85          1HE       LYS  85  -1.390   4.813 -14.096
 1779   2HE   LYS  85          2HE       LYS  85  -0.632   5.083 -12.515
 1780   1HZ   LYS  85          1HZ       LYS  85   0.348   6.561 -14.136
 1781   2HZ   LYS  85          2HZ       LYS  85   0.693   5.263 -15.175
 1782   3HZ   LYS  85          3HZ       LYS  85   1.499   5.396 -13.687
 1783    H    ARG  86           H        ARG  86   4.140   0.237 -10.999
 1784    HA   ARG  86           HA       ARG  86   2.983  -1.326  -8.718
 1785   1HB   ARG  86          1HB       ARG  86   2.879  -1.945 -11.453
 1786   2HB   ARG  86          2HB       ARG  86   4.185  -2.951 -10.823
 1787   1HG   ARG  86          1HG       ARG  86   2.421  -3.374  -8.867
 1788   2HG   ARG  86          2HG       ARG  86   1.273  -2.972 -10.143
 1789   1HD   ARG  86          1HD       ARG  86   3.168  -4.730 -11.313
 1790   2HD   ARG  86          2HD       ARG  86   2.713  -5.436  -9.751
 1791    HE   ARG  86           HE       ARG  86   0.510  -5.704 -10.579
 1792   1HH1  ARG  86          1HH1      ARG  86   2.310  -3.459 -12.539
 1793   2HH1  ARG  86          2HH1      ARG  86   1.059  -3.323 -13.726
 1794   1HH2  ARG  86          1HH2      ARG  86  -1.099  -5.510 -12.132
 1795   2HH2  ARG  86          2HH2      ARG  86  -0.857  -4.474 -13.499
 1796    H    MET  87           H        MET  87   4.554  -2.729  -7.658
 1797    HA   MET  87           HA       MET  87   7.415  -2.035  -8.227
 1798   1HB   MET  87          1HB       MET  87   5.718  -1.499  -5.929
 1799   2HB   MET  87          2HB       MET  87   7.090  -2.502  -5.457
 1800   1HG   MET  87          1HG       MET  87   7.341   0.046  -7.081
 1801   2HG   MET  87          2HG       MET  87   7.548  -0.028  -5.331
 1802   1HE   MET  87          1HE       MET  87  10.446  -0.764  -4.379
 1803   2HE   MET  87          2HE       MET  87  10.086  -2.470  -4.641
 1804   3HE   MET  87          3HE       MET  87   8.802  -1.363  -4.157
 1805    H    ARG  88           H        ARG  88   8.793  -3.809  -8.174
 1806    HA   ARG  88           HA       ARG  88   7.570  -6.434  -7.388
 1807   1HB   ARG  88          1HB       ARG  88   9.160  -5.419  -9.671
 1808   2HB   ARG  88          2HB       ARG  88   9.680  -6.990  -9.061
 1809   1HG   ARG  88          1HG       ARG  88   7.427  -7.883  -9.318
 1810   2HG   ARG  88          2HG       ARG  88   6.820  -6.297  -9.795
 1811   1HD   ARG  88          1HD       ARG  88   8.936  -6.705 -11.551
 1812   2HD   ARG  88          2HD       ARG  88   8.197  -8.312 -11.418
 1813    HE   ARG  88           HE       ARG  88   6.139  -6.320 -11.622
 1814   1HH1  ARG  88          1HH1      ARG  88   8.595  -7.916 -13.503
 1815   2HH1  ARG  88          2HH1      ARG  88   7.735  -7.724 -14.991
 1816   1HH2  ARG  88          1HH2      ARG  88   5.042  -6.083 -13.566
 1817   2HH2  ARG  88          2HH2      ARG  88   5.739  -6.694 -15.029
 1818    H    ILE  89           H        ILE  89   8.929  -7.921  -6.255
 1819    HA   ILE  89           HA       ILE  89  11.458  -6.750  -5.142
 1820    HB   ILE  89           HB       ILE  89   9.301  -8.432  -3.809
 1821   1HG1  ILE  89          1HG1      ILE  89  10.174  -5.632  -3.092
 1822   2HG1  ILE  89          2HG1      ILE  89   8.903  -5.926  -4.277
 1823   1HG2  ILE  89          1HG2      ILE  89  11.791  -7.201  -2.593
 1824   2HG2  ILE  89          2HG2      ILE  89  11.649  -8.903  -3.036
 1825   3HG2  ILE  89          3HG2      ILE  89  10.612  -8.229  -1.779
 1826   1HD1  ILE  89          1HD1      ILE  89   7.430  -6.740  -2.698
 1827   2HD1  ILE  89          2HD1      ILE  89   8.356  -5.645  -1.671
 1828   3HD1  ILE  89          3HD1      ILE  89   8.718  -7.372  -1.671
 1829    H    PHE  90           H        PHE  90  13.175  -8.013  -5.746
 1830    HA   PHE  90           HA       PHE  90  12.663 -10.927  -6.261
 1831   1HB   PHE  90          1HB       PHE  90  14.288  -8.770  -7.576
 1832   2HB   PHE  90          2HB       PHE  90  14.888 -10.426  -7.664
 1833    HD1  PHE  90           HD1      PHE  90  12.270  -8.096  -8.730
 1834    HD2  PHE  90           HD2      PHE  90  13.581 -12.186  -8.796
 1835    HE1  PHE  90           HE1      PHE  90  10.665  -8.581 -10.558
 1836    HE2  PHE  90           HE2      PHE  90  11.976 -12.671 -10.624
 1837    HZ   PHE  90           HZ       PHE  90  10.518 -10.869 -11.505
 1838    H    THR  91           H        THR  91  15.187 -11.895  -6.316
 1839    HA   THR  91           HA       THR  91  16.457 -11.074  -3.729
 1840    HB   THR  91           HB       THR  91  16.867 -13.700  -3.664
 1841    HG1  THR  91           HG1      THR  91  15.335 -14.833  -4.734
 1842   1HG2  THR  91          1HG2      THR  91  14.586 -12.007  -2.823
 1843   2HG2  THR  91          2HG2      THR  91  15.625 -13.057  -1.859
 1844   3HG2  THR  91          3HG2      THR  91  14.291 -13.746  -2.784
 1845    H    ILE  92           H        ILE  92  18.183 -10.016  -4.856
 1846    HA   ILE  92           HA       ILE  92  19.580 -10.877  -7.122
 1847    HB   ILE  92           HB       ILE  92  21.417  -9.501  -6.180
 1848   1HG1  ILE  92          1HG1      ILE  92  19.771  -9.493  -3.634
 1849   2HG1  ILE  92          2HG1      ILE  92  21.230 -10.456  -3.863
 1850   1HG2  ILE  92          1HG2      ILE  92  18.820  -8.236  -5.312
 1851   2HG2  ILE  92          2HG2      ILE  92  19.155  -8.542  -7.016
 1852   3HG2  ILE  92          3HG2      ILE  92  20.209  -7.475  -6.088
 1853   1HD1  ILE  92          1HD1      ILE  92  20.945  -7.468  -3.688
 1854   2HD1  ILE  92          2HD1      ILE  92  22.307  -8.169  -4.561
 1855   3HD1  ILE  92          3HD1      ILE  92  22.080  -8.525  -2.849
 1856    H    LYS  93           H        LYS  93  19.824 -12.087  -3.812
 1857    HA   LYS  93           HA       LYS  93  21.654 -14.226  -4.825
 1858   1HB   LYS  93          1HB       LYS  93  22.949 -13.941  -2.709
 1859   2HB   LYS  93          2HB       LYS  93  22.960 -12.473  -3.685
 1860   1HG   LYS  93          1HG       LYS  93  21.014 -11.641  -2.317
 1861   2HG   LYS  93          2HG       LYS  93  21.221 -13.045  -1.269
 1862   1HD   LYS  93          1HD       LYS  93  22.407 -11.154  -0.292
 1863   2HD   LYS  93          2HD       LYS  93  23.588 -12.331  -0.867
 1864   1HE   LYS  93          1HE       LYS  93  23.040 -10.619  -3.065
 1865   2HE   LYS  93          2HE       LYS  93  23.291  -9.574  -1.654
 1866   1HZ   LYS  93          1HZ       LYS  93  25.075 -11.683  -2.728
 1867   2HZ   LYS  93          2HZ       LYS  93  25.221 -11.128  -1.130
 1868   3HZ   LYS  93          3HZ       LYS  93  25.441 -10.053  -2.426
 1869    HA   PRO  94           HA       PRO  94  18.772 -17.017  -2.987
 1870   1HB   PRO  94          1HB       PRO  94  21.195 -18.464  -1.998
 1871   2HB   PRO  94          2HB       PRO  94  19.830 -19.078  -2.948
 1872   1HG   PRO  94          1HG       PRO  94  22.238 -18.591  -4.033
 1873   2HG   PRO  94          2HG       PRO  94  20.730 -18.379  -4.931
 1874   1HD   PRO  94          1HD       PRO  94  22.576 -16.342  -3.839
 1875   2HD   PRO  94          2HD       PRO  94  21.457 -16.238  -5.213
 1876    H    ILE  95           H        ILE  95  17.938 -17.448  -0.873
 1877    HA   ILE  95           HA       ILE  95  19.459 -16.155   1.368
 1878    HB   ILE  95           HB       ILE  95  16.483 -16.270   0.752
 1879   1HG1  ILE  95          1HG1      ILE  95  18.443 -13.955   0.821
 1880   2HG1  ILE  95          2HG1      ILE  95  17.779 -14.687  -0.640
 1881   1HG2  ILE  95          1HG2      ILE  95  16.895 -14.398   2.754
 1882   2HG2  ILE  95          2HG2      ILE  95  17.972 -15.715   3.217
 1883   3HG2  ILE  95          3HG2      ILE  95  16.250 -16.022   2.991
 1884   1HD1  ILE  95          1HD1      ILE  95  16.539 -12.634   0.013
 1885   2HD1  ILE  95          2HD1      ILE  95  16.138 -13.388   1.557
 1886   3HD1  ILE  95          3HD1      ILE  95  15.510 -14.065   0.054
 1887    H    ALA  96           H        ALA  96  19.298 -17.181   3.418
 1888    HA   ALA  96           HA       ALA  96  18.484 -20.049   3.310
 1889   1HB   ALA  96          1HB       ALA  96  20.783 -19.489   3.977
 1890   2HB   ALA  96          2HB       ALA  96  19.917 -20.130   5.373
 1891   3HB   ALA  96          3HB       ALA  96  20.178 -18.393   5.219
 1892    H    ILE  97           H        ILE  97  17.339 -20.909   5.249
 1893    HA   ILE  97           HA       ILE  97  15.043 -19.340   5.964
 1894    HB   ILE  97           HB       ILE  97  16.295 -21.837   7.168
 1895   1HG1  ILE  97          1HG1      ILE  97  13.871 -21.931   5.460
 1896   2HG1  ILE  97          2HG1      ILE  97  15.375 -21.523   4.638
 1897   1HG2  ILE  97          1HG2      ILE  97  13.998 -20.253   7.951
 1898   2HG2  ILE  97          2HG2      ILE  97  14.685 -21.675   8.737
 1899   3HG2  ILE  97          3HG2      ILE  97  13.496 -21.867   7.449
 1900   1HD1  ILE  97          1HD1      ILE  97  14.915 -23.951   6.397
 1901   2HD1  ILE  97          2HD1      ILE  97  16.440 -23.538   5.613
 1902   3HD1  ILE  97          3HD1      ILE  97  15.033 -23.960   4.637
 1903    H    GLY  98           H        GLY  98  15.655 -17.395   6.998
 1904   1HA   GLY  98          1HA       GLY  98  15.686 -16.713   9.468
 1905   2HA   GLY  98          2HA       GLY  98  17.146 -17.698   9.572
 1906    H    GLU  99           H        GLU  99  16.180 -15.518   6.933
 1907    HA   GLU  99           HA       GLU  99  18.675 -13.940   7.474
 1908   1HB   GLU  99          1HB       GLU  99  17.256 -14.935   5.011
 1909   2HB   GLU  99          2HB       GLU  99  18.258 -13.490   4.892
 1910   1HG   GLU  99          1HG       GLU  99  19.160 -16.206   5.899
 1911   2HG   GLU  99          2HG       GLU  99  19.577 -15.488   4.344
 1912    H    GLU 100           H        GLU 100  18.493 -11.632   6.609
 1913    HA   GLU 100           HA       GLU 100  15.781 -10.539   7.259
 1914   1HB   GLU 100          1HB       GLU 100  18.160 -10.005   8.400
 1915   2HB   GLU 100          2HB       GLU 100  18.246  -8.852   7.069
 1916   1HG   GLU 100          1HG       GLU 100  15.639  -8.884   8.431
 1917   2HG   GLU 100          2HG       GLU 100  16.973  -8.397   9.476
 1918    H    ILE 101           H        ILE 101  14.638  -9.962   5.459
 1919    HA   ILE 101           HA       ILE 101  16.039  -9.449   2.912
 1920    HB   ILE 101           HB       ILE 101  13.139  -9.668   3.782
 1921   1HG1  ILE 101          1HG1      ILE 101  14.769 -11.493   2.006
 1922   2HG1  ILE 101          2HG1      ILE 101  14.654 -11.716   3.751
 1923   1HG2  ILE 101          1HG2      ILE 101  14.363  -8.808   1.215
 1924   2HG2  ILE 101          2HG2      ILE 101  12.776  -8.431   1.884
 1925   3HG2  ILE 101          3HG2      ILE 101  13.054  -9.983   1.094
 1926   1HD1  ILE 101          1HD1      ILE 101  12.940 -12.894   2.054
 1927   2HD1  ILE 101          2HD1      ILE 101  12.100 -11.355   2.252
 1928   3HD1  ILE 101          3HD1      ILE 101  12.443 -12.360   3.660
 1929    H    THR 102           H        THR 102  16.473  -7.439   2.185
 1930    HA   THR 102           HA       THR 102  14.772  -5.133   2.916
 1931    HB   THR 102           HB       THR 102  16.793  -3.917   3.784
 1932    HG1  THR 102           HG1      THR 102  18.532  -4.890   3.052
 1933   1HG2  THR 102          1HG2      THR 102  16.781  -4.936   5.944
 1934   2HG2  THR 102          2HG2      THR 102  16.411  -6.523   5.271
 1935   3HG2  THR 102          3HG2      THR 102  15.187  -5.253   5.259
 1936    H    ILE 103           H        ILE 103  15.856  -3.090   1.775
 1937    HA   ILE 103           HA       ILE 103  17.318  -3.894  -0.695
 1938    HB   ILE 103           HB       ILE 103  15.632  -2.732  -2.067
 1939   1HG1  ILE 103          1HG1      ILE 103  13.479  -2.424  -0.263
 1940   2HG1  ILE 103          2HG1      ILE 103  14.874  -1.670   0.509
 1941   1HG2  ILE 103          1HG2      ILE 103  13.925  -4.373  -1.930
 1942   2HG2  ILE 103          2HG2      ILE 103  14.130  -4.558  -0.188
 1943   3HG2  ILE 103          3HG2      ILE 103  15.359  -5.177  -1.291
 1944   1HD1  ILE 103          1HD1      ILE 103  13.450  -0.914  -1.992
 1945   2HD1  ILE 103          2HD1      ILE 103  15.204  -0.730  -1.997
 1946   3HD1  ILE 103          3HD1      ILE 103  14.232   0.111  -0.789
 1947    H    SER 104           H        SER 104  18.292  -2.019  -1.790
 1948    HA   SER 104           HA       SER 104  19.098   0.073   0.128
 1949   1HB   SER 104          1HB       SER 104  20.325  -1.363  -1.869
 1950   2HB   SER 104          2HB       SER 104  19.993   0.160  -2.695
 1951    HG   SER 104           HG       SER 104  21.677  -0.389  -0.564
 1952    H    TYR 105           H        TYR 105  19.557   2.161  -1.752
 1953    HA   TYR 105           HA       TYR 105  16.786   2.884  -2.637
 1954   1HB   TYR 105          1HB       TYR 105  18.802   4.625  -1.167
 1955   2HB   TYR 105          2HB       TYR 105  17.174   5.106  -1.642
 1956    HD1  TYR 105           HD1      TYR 105  15.385   3.070  -0.931
 1957    HD2  TYR 105           HD2      TYR 105  18.993   4.198   1.109
 1958    HE1  TYR 105           HE1      TYR 105  14.492   2.115   1.177
 1959    HE2  TYR 105           HE2      TYR 105  18.100   3.244   3.216
 1960    HH   TYR 105           HH       TYR 105  15.130   1.384   3.278
 1961    H    GLY 106           H        GLY 106  20.129   4.196  -2.703
 1962   1HA   GLY 106          1HA       GLY 106  20.757   3.905  -5.371
 1963   2HA   GLY 106          2HA       GLY 106  19.710   5.324  -5.362
 1964    H    ASP 107           H        ASP 107  21.817   6.338  -6.152
 1965    HA   ASP 107           HA       ASP 107  24.106   6.611  -4.457
 1966   1HB   ASP 107          1HB       ASP 107  22.879   8.371  -6.611
 1967   2HB   ASP 107          2HB       ASP 107  24.502   8.604  -5.961
 1968    H    ASP 108           H        ASP 108  21.063   8.419  -4.654
 1969    HA   ASP 108           HA       ASP 108  21.859  10.604  -2.946
 1970   1HB   ASP 108          1HB       ASP 108  19.203   9.355  -3.731
 1971   2HB   ASP 108          2HB       ASP 108  19.328  10.860  -2.819
 1972    H    TYR 109           H        TYR 109  19.275   8.315  -2.090
 1973    HA   TYR 109           HA       TYR 109  19.465   8.590   0.691
 1974   1HB   TYR 109          1HB       TYR 109  18.403   6.663  -1.286
 1975   2HB   TYR 109          2HB       TYR 109  18.671   5.979   0.318
 1976    HD1  TYR 109           HD1      TYR 109  16.741   5.973   1.617
 1977    HD2  TYR 109           HD2      TYR 109  17.497   9.301  -0.991
 1978    HE1  TYR 109           HE1      TYR 109  14.675   7.079   2.430
 1979    HE2  TYR 109           HE2      TYR 109  15.432  10.408  -0.179
 1980    HH   TYR 109           HH       TYR 109  13.066   9.239   1.006
 1981    H    TRP 110           H        TRP 110  21.358   8.349   1.831
 1982    HA   TRP 110           HA       TRP 110  23.332   7.354   2.661
 1983   1HB   TRP 110          1HB       TRP 110  21.614   5.004   1.796
 1984   2HB   TRP 110          2HB       TRP 110  23.072   4.825   2.773
 1985    HD1  TRP 110           HD1      TRP 110  19.860   6.994   2.906
 1986    HE1  TRP 110           HE1      TRP 110  19.098   7.136   5.365
 1987    HE3  TRP 110           HE3      TRP 110  23.557   4.267   5.132
 1988    HZ2  TRP 110           HZ2      TRP 110  19.946   6.214   7.937
 1989    HZ3  TRP 110           HZ3      TRP 110  23.556   3.914   7.585
 1990    HH2  TRP 110           HH2      TRP 110  21.757   4.883   8.989
 1991    H    LEU 111           H        LEU 111  24.797   5.164   1.891
 1992    HA   LEU 111           HA       LEU 111  26.262   6.065  -0.380
 1993   1HB   LEU 111          1HB       LEU 111  27.004   4.581   1.528
 1994   2HB   LEU 111          2HB       LEU 111  26.073   3.270   0.804
 1995    HG   LEU 111           HG       LEU 111  27.439   3.780  -1.347
 1996   1HD1  LEU 111          1HD1      LEU 111  29.829   4.550  -0.317
 1997   2HD1  LEU 111          2HD1      LEU 111  28.738   5.485   0.706
 1998   3HD1  LEU 111          3HD1      LEU 111  28.686   5.676  -1.047
 1999   1HD2  LEU 111          1HD2      LEU 111  27.664   1.844   0.402
 2000   2HD2  LEU 111          2HD2      LEU 111  29.120   2.703   0.905
 2001   3HD2  LEU 111          3HD2      LEU 111  28.972   2.111  -0.750
 2002    H    SER 112           H        SER 112  26.463   5.012  -2.490
 2003    HA   SER 112           HA       SER 112  23.969   4.455  -3.783
 2004   1HB   SER 112          1HB       SER 112  26.844   3.836  -4.565
 2005   2HB   SER 112          2HB       SER 112  25.478   3.893  -5.680
 2006    HG   SER 112           HG       SER 112  26.986   5.881  -4.978
 2007    H    ARG 113           H        ARG 113  26.734   2.208  -3.326
 2008    HA   ARG 113           HA       ARG 113  24.773   0.015  -2.814
 2009   1HB   ARG 113          1HB       ARG 113  26.698   0.405  -5.060
 2010   2HB   ARG 113          2HB       ARG 113  26.580  -1.228  -4.405
 2011   1HG   ARG 113          1HG       ARG 113  24.005  -0.866  -4.597
 2012   2HG   ARG 113          2HG       ARG 113  24.433   0.446  -5.695
 2013   1HD   ARG 113          1HD       ARG 113  25.982  -1.418  -6.793
 2014   2HD   ARG 113          2HD       ARG 113  24.804  -2.510  -6.040
 2015    HE   ARG 113           HE       ARG 113  23.358  -0.401  -7.281
 2016   1HH1  ARG 113          1HH1      ARG 113  25.411  -3.076  -8.146
 2017   2HH1  ARG 113          2HH1      ARG 113  24.661  -3.296  -9.688
 2018   1HH2  ARG 113          1HH2      ARG 113  22.400  -0.707  -9.288
 2019   2HH2  ARG 113          2HH2      ARG 113  22.969  -1.966 -10.332
 2020    HA   PRO 114           HA       PRO 114  27.544  -1.306   0.313
 2021   1HB   PRO 114          1HB       PRO 114  27.444  -4.080  -0.751
 2022   2HB   PRO 114          2HB       PRO 114  26.947  -3.469   0.837
 2023   1HG   PRO 114          1HG       PRO 114  25.176  -4.216  -1.041
 2024   2HG   PRO 114          2HG       PRO 114  24.850  -2.915   0.112
 2025   1HD   PRO 114          1HD       PRO 114  25.551  -2.756  -2.775
 2026   2HD   PRO 114          2HD       PRO 114  24.507  -1.700  -1.800
 2027    H    ARG 115           H        ARG 115  28.225  -3.269  -2.616
 2028    HA   ARG 115           HA       ARG 115  30.230  -3.596  -3.815
 2029   1HB   ARG 115          1HB       ARG 115  30.151  -0.915  -2.999
 2030   2HB   ARG 115          2HB       ARG 115  31.757  -1.465  -2.522
 2031   1HG   ARG 115          1HG       ARG 115  32.140  -0.821  -4.730
 2032   2HG   ARG 115          2HG       ARG 115  31.778  -2.535  -4.934
 2033   1HD   ARG 115          1HD       ARG 115  30.010  -2.004  -6.247
 2034   2HD   ARG 115          2HD       ARG 115  29.304  -1.055  -4.925
 2035    HE   ARG 115           HE       ARG 115  31.349   0.557  -5.868
 2036   1HH1  ARG 115          1HH1      ARG 115  28.630  -1.052  -7.329
 2037   2HH1  ARG 115          2HH1      ARG 115  28.455   0.137  -8.573
 2038   1HH2  ARG 115          1HH2      ARG 115  31.101   2.087  -7.491
 2039   2HH2  ARG 115          2HH2      ARG 115  29.842   1.901  -8.666
 2040    H    LEU 116           H        LEU 116  31.448  -2.291  -0.706
 2041    HA   LEU 116           HA       LEU 116  32.952  -3.246   0.846
 2042   1HB   LEU 116          1HB       LEU 116  31.434  -5.693  -0.136
 2043   2HB   LEU 116          2HB       LEU 116  32.377  -5.621   1.352
 2044    HG   LEU 116           HG       LEU 116  30.389  -3.455   1.023
 2045   1HD1  LEU 116          1HD1      LEU 116  29.429  -6.233   1.732
 2046   2HD1  LEU 116          2HD1      LEU 116  29.286  -5.579   0.100
 2047   3HD1  LEU 116          3HD1      LEU 116  28.458  -4.789   1.442
 2048   1HD2  LEU 116          1HD2      LEU 116  31.927  -4.567   3.058
 2049   2HD2  LEU 116          2HD2      LEU 116  30.299  -5.152   3.402
 2050   3HD2  LEU 116          3HD2      LEU 116  30.605  -3.419   3.274
 2051    H    THR 117           H        THR 117  34.903  -2.847  -0.372
 2052    HA   THR 117           HA       THR 117  35.851  -4.566  -2.479
 2053    HB   THR 117           HB       THR 117  37.243  -2.694  -0.528
 2054    HG1  THR 117           HG1      THR 117  35.582  -1.870  -1.980
 2055   1HG2  THR 117          1HG2      THR 117  38.922  -2.602  -2.500
 2056   2HG2  THR 117          2HG2      THR 117  38.184  -4.119  -3.016
 2057   3HG2  THR 117          3HG2      THR 117  38.977  -4.014  -1.444
 2058    H    GLN 118           H        GLN 118  37.604  -6.130  -2.332
 2059    HA   GLN 118           HA       GLN 118  37.634  -7.576   0.280
 2060   1HB   GLN 118          1HB       GLN 118  37.039  -8.445  -2.189
 2061   2HB   GLN 118          2HB       GLN 118  38.788  -8.660  -2.264
 2062   1HG   GLN 118          1HG       GLN 118  38.222  -9.703   0.206
 2063   2HG   GLN 118          2HG       GLN 118  36.772 -10.142  -0.696
 2064   1HE2  GLN 118          1HE2      GLN 118  37.036 -11.567  -2.575
 2065   2HE2  GLN 118          2HE2      GLN 118  38.461 -12.459  -2.805
 2066    H    ASN 119           H        ASN 119  39.254  -6.032   1.177
 2067    HA   ASN 119           HA       ASN 119  41.969  -6.980   0.810
 2068   1HB   ASN 119          1HB       ASN 119  41.053  -5.171  -1.083
 2069   2HB   ASN 119          2HB       ASN 119  41.873  -4.127   0.078
 2070   1HD2  ASN 119          1HD2      ASN 119  42.438  -5.939  -2.678
 2071   2HD2  ASN 119          2HD2      ASN 119  44.098  -6.231  -2.475
 2072   1H    GLY 201          1H        GLY 201  36.442  23.085   3.706
 2073   2H    GLY 201          2H        GLY 201  37.688  22.159   4.393
 2074   3H    GLY 201          3H        GLY 201  38.061  23.418   3.316
 2075   1HA   GLY 201          1HA       GLY 201  37.154  23.574   6.113
 2076   2HA   GLY 201          2HA       GLY 201  38.516  24.385   5.342
 2077    H    LYS 202           H        LYS 202  35.019  24.402   5.730
 2078    HA   LYS 202           HA       LYS 202  35.010  27.229   4.737
 2079   1HB   LYS 202          1HB       LYS 202  33.353  24.835   4.000
 2080   2HB   LYS 202          2HB       LYS 202  32.587  26.423   3.970
 2081   1HG   LYS 202          1HG       LYS 202  34.730  27.125   2.622
 2082   2HG   LYS 202          2HG       LYS 202  34.877  25.394   2.317
 2083   1HD   LYS 202          1HD       LYS 202  33.087  25.369   0.915
 2084   2HD   LYS 202          2HD       LYS 202  32.155  26.464   1.936
 2085   1HE   LYS 202          1HE       LYS 202  32.582  28.077   0.391
 2086   2HE   LYS 202          2HE       LYS 202  34.271  28.030   0.929
 2087   1HZ   LYS 202          1HZ       LYS 202  32.987  26.488  -1.251
 2088   2HZ   LYS 202          2HZ       LYS 202  34.447  25.980  -0.549
 2089   3HZ   LYS 202          3HZ       LYS 202  34.361  27.482  -1.336
 2090    H    ALA 203           H        ALA 203  35.146  26.213   7.491
 2091    HA   ALA 203           HA       ALA 203  32.680  26.076   8.848
 2092   1HB   ALA 203          1HB       ALA 203  34.269  25.802  10.440
 2093   2HB   ALA 203          2HB       ALA 203  34.514  27.549  10.433
 2094   3HB   ALA 203          3HB       ALA 203  35.490  26.517   9.387
 2095    HA   PRO 204           HA       PRO 204  33.089  30.960   9.336
 2096   1HB   PRO 204          1HB       PRO 204  34.283  31.460   6.642
 2097   2HB   PRO 204          2HB       PRO 204  34.580  32.300   8.174
 2098   1HG   PRO 204          1HG       PRO 204  36.339  30.568   7.120
 2099   2HG   PRO 204          2HG       PRO 204  36.128  30.762   8.865
 2100   1HD   PRO 204          1HD       PRO 204  35.277  28.545   7.095
 2101   2HD   PRO 204          2HD       PRO 204  35.689  28.526   8.821
 2102    H    ARG 205           H        ARG 205  30.827  30.659   9.056
 2103    HA   ARG 205           HA       ARG 205  28.749  30.769   7.938
 2104   1HB   ARG 205          1HB       ARG 205  30.689  32.499   6.416
 2105   2HB   ARG 205          2HB       ARG 205  29.047  32.303   5.802
 2106   1HG   ARG 205          1HG       ARG 205  28.884  32.776   8.616
 2107   2HG   ARG 205          2HG       ARG 205  29.949  33.998   7.920
 2108   1HD   ARG 205          1HD       ARG 205  28.024  35.080   7.336
 2109   2HD   ARG 205          2HD       ARG 205  27.866  33.842   6.076
 2110    HE   ARG 205           HE       ARG 205  26.913  32.679   8.462
 2111   1HH1  ARG 205          1HH1      ARG 205  26.119  35.361   6.390
 2112   2HH1  ARG 205          2HH1      ARG 205  24.434  35.302   6.776
 2113   1HH2  ARG 205          1HH2      ARG 205  24.722  32.622   8.947
 2114   2HH2  ARG 205          2HH2      ARG 205  23.647  33.764   8.212
 2115    H    LYS 206           H        LYS 206  28.951  28.399   7.446
 2116    HA   LYS 206           HA       LYS 206  30.035  27.502   4.909
 2117   1HB   LYS 206          1HB       LYS 206  29.332  26.359   7.268
 2118   2HB   LYS 206          2HB       LYS 206  27.893  25.983   6.321
 2119   1HG   LYS 206          1HG       LYS 206  29.174  24.837   4.661
 2120   2HG   LYS 206          2HG       LYS 206  30.692  25.431   5.322
 2121   1HD   LYS 206          1HD       LYS 206  30.758  23.461   6.447
 2122   2HD   LYS 206          2HD       LYS 206  29.549  24.194   7.505
 2123   1HE   LYS 206          1HE       LYS 206  28.069  22.616   6.834
 2124   2HE   LYS 206          2HE       LYS 206  28.189  23.255   5.184
 2125   1HZ   LYS 206          1HZ       LYS 206  30.344  21.986   5.036
 2126   2HZ   LYS 206          2HZ       LYS 206  28.941  21.029   5.074
 2127   3HZ   LYS 206          3HZ       LYS 206  29.895  21.194   6.469
 2128    H    GLN 207           H        GLN 207  29.045  27.613   2.930
 2129    HA   GLN 207           HA       GLN 207  26.590  28.965   2.462
 2130   1HB   GLN 207          1HB       GLN 207  28.475  28.523   0.855
 2131   2HB   GLN 207          2HB       GLN 207  27.966  26.836   0.781
 2132   1HG   GLN 207          1HG       GLN 207  25.611  27.912   0.216
 2133   2HG   GLN 207          2HG       GLN 207  26.601  29.280  -0.292
 2134   1HE2  GLN 207          1HE2      GLN 207  28.842  27.987  -1.390
 2135   2HE2  GLN 207          2HE2      GLN 207  28.365  27.048  -2.721
 2136    H    LEU 208           H        LEU 208  24.476  28.259   2.479
 2137    HA   LEU 208           HA       LEU 208  23.778  25.728   3.658
 2138   1HB   LEU 208          1HB       LEU 208  22.287  27.899   2.154
 2139   2HB   LEU 208          2HB       LEU 208  21.462  26.513   2.868
 2140    HG   LEU 208           HG       LEU 208  23.318  28.295   4.460
 2141   1HD1  LEU 208          1HD1      LEU 208  20.311  28.487   4.106
 2142   2HD1  LEU 208          2HD1      LEU 208  21.501  29.694   3.617
 2143   3HD1  LEU 208          3HD1      LEU 208  21.234  29.361   5.328
 2144   1HD2  LEU 208          1HD2      LEU 208  22.255  25.820   5.007
 2145   2HD2  LEU 208          2HD2      LEU 208  21.055  26.895   5.724
 2146   3HD2  LEU 208          3HD2      LEU 208  22.742  26.993   6.231
 2147    H    ALA 209           H        ALA 209  21.798  24.590   2.220
 2148    HA   ALA 209           HA       ALA 209  22.559  24.186  -0.587
 2149   1HB   ALA 209          1HB       ALA 209  23.005  21.698  -0.061
 2150   2HB   ALA 209          2HB       ALA 209  23.128  22.195   1.626
 2151   3HB   ALA 209          3HB       ALA 209  24.256  22.838   0.433
 2152    H    THR 210           H        THR 210  20.834  23.283  -1.732
 2153    HA   THR 210           HA       THR 210  18.428  22.526  -0.112
 2154    HB   THR 210           HB       THR 210  17.365  23.159  -2.446
 2155    HG1  THR 210           HG1      THR 210  18.626  24.339  -3.724
 2156   1HG2  THR 210          1HG2      THR 210  18.006  24.603  -0.078
 2157   2HG2  THR 210          2HG2      THR 210  16.701  24.925  -1.220
 2158   3HG2  THR 210          3HG2      THR 210  18.275  25.689  -1.442
 2159    H    LYS 211           H        LYS 211  20.402  20.547  -0.639
 2160    HA   LYS 211           HA       LYS 211  19.817  19.043  -3.045
 2161   1HB   LYS 211          1HB       LYS 211  21.913  19.021  -1.604
 2162   2HB   LYS 211          2HB       LYS 211  20.997  18.105  -0.407
 2163   1HG   LYS 211          1HG       LYS 211  20.511  16.392  -2.170
 2164   2HG   LYS 211          2HG       LYS 211  21.568  17.278  -3.269
 2165   1HD   LYS 211          1HD       LYS 211  23.100  17.009  -0.961
 2166   2HD   LYS 211          2HD       LYS 211  22.264  15.461  -1.087
 2167   1HE   LYS 211          1HE       LYS 211  23.419  14.863  -2.973
 2168   2HE   LYS 211          2HE       LYS 211  23.362  16.506  -3.640
 2169   1HZ   LYS 211          1HZ       LYS 211  25.611  15.732  -2.835
 2170   2HZ   LYS 211          2HZ       LYS 211  24.981  15.782  -1.259
 2171   3HZ   LYS 211          3HZ       LYS 211  25.069  17.204  -2.183
 2172    H    ALA 212           H        ALA 212  17.424  18.944  -2.905
 2173    HA   ALA 212           HA       ALA 212  16.354  17.177  -0.753
 2174   1HB   ALA 212          1HB       ALA 212  14.807  18.847  -0.888
 2175   2HB   ALA 212          2HB       ALA 212  14.267  18.058  -2.370
 2176   3HB   ALA 212          3HB       ALA 212  15.422  19.389  -2.450
 2177    H    ALA 213           H        ALA 213  16.780  15.058  -1.423
 2178    HA   ALA 213           HA       ALA 213  15.665  14.275  -4.096
 2179   1HB   ALA 213          1HB       ALA 213  18.118  14.346  -4.132
 2180   2HB   ALA 213          2HB       ALA 213  17.591  12.663  -4.177
 2181   3HB   ALA 213          3HB       ALA 213  18.192  13.359  -2.672
 2182    H    ARG 214           H        ARG 214  14.952  11.993  -4.165
 2183    HA   ARG 214           HA       ARG 214  14.096  11.009  -1.464
 2184   1HB   ARG 214          1HB       ARG 214  12.915  10.741  -4.255
 2185   2HB   ARG 214          2HB       ARG 214  12.240   9.965  -2.823
 2186   1HG   ARG 214          1HG       ARG 214  11.199  11.869  -2.225
 2187   2HG   ARG 214          2HG       ARG 214  12.720  12.760  -2.284
 2188   1HD   ARG 214          1HD       ARG 214  12.179  12.441  -4.960
 2189   2HD   ARG 214          2HD       ARG 214  10.550  12.627  -4.282
 2190    HE   ARG 214           HE       ARG 214  12.611  14.685  -4.347
 2191   1HH1  ARG 214          1HH1      ARG 214   9.908  13.418  -2.555
 2192   2HH1  ARG 214          2HH1      ARG 214   9.556  14.934  -1.802
 2193   1HH2  ARG 214          1HH2      ARG 214  12.134  16.642  -3.356
 2194   2HH2  ARG 214          2HH2      ARG 214  10.805  16.746  -2.250
 2195   1HN   MLZ 215          1HN       MLZ 215  13.305   8.429  -2.332
 2196    HA   MLZ 215           HA       MLZ 215  15.812   7.009  -2.264
 2197   1HB   MLZ 215          1HB       MLZ 215  12.999   6.108  -2.994
 2198   2HB   MLZ 215          2HB       MLZ 215  14.315   5.052  -2.479
 2199   1HG   MLZ 215          1HG       MLZ 215  12.709   7.007  -0.874
 2200   2HG   MLZ 215          2HG       MLZ 215  14.382   6.708  -0.405
 2201   1HD   MLZ 215          1HD       MLZ 215  12.964   4.230  -1.006
 2202   2HD   MLZ 215          2HD       MLZ 215  13.869   4.676   0.440
 2203   1HE   MLZ 215          1HE       MLZ 215  11.400   4.260   0.858
 2204   2HE   MLZ 215          2HE       MLZ 215  11.063   5.688  -0.135
 2205    HZ   MLZ 215           HZ       MLZ 215  11.324   6.729   1.852
 2206   1HCM  MLZ 215          1HCM      MLZ 215  13.369   4.820   2.805
 2207   2HCM  MLZ 215          2HCM      MLZ 215  11.645   4.472   2.935
 2208   3HCM  MLZ 215          3HCM      MLZ 215  12.325   5.876   3.755
 2209    H    SER 216           H        SER 216  17.044   6.241  -3.957
 2210    HA   SER 216           HA       SER 216  17.750   5.849  -6.175
 2211   1HB   SER 216          1HB       SER 216  15.888   7.835  -7.295
 2212   2HB   SER 216          2HB       SER 216  16.754   8.424  -5.876
 2213    HG   SER 216           HG       SER 216  17.998   8.822  -7.681
 2214    H    ALA 217           H        ALA 217  16.736   5.507  -8.520
 2215    HA   ALA 217           HA       ALA 217  14.484   3.613  -8.156
 2216   1HB   ALA 217          1HB       ALA 217  13.936   5.172 -10.486
 2217   2HB   ALA 217          2HB       ALA 217  14.262   6.295  -9.165
 2218   3HB   ALA 217          3HB       ALA 217  12.988   5.087  -9.001
 2219    HA   PRO 218           HA       PRO 218  17.337   1.499 -10.895
 2220   1HB   PRO 218          1HB       PRO 218  14.986  -0.267 -11.376
 2221   2HB   PRO 218          2HB       PRO 218  16.616  -0.693 -10.824
 2222   1HG   PRO 218          1HG       PRO 218  14.496  -0.686  -9.177
 2223   2HG   PRO 218          2HG       PRO 218  16.125  -0.267  -8.630
 2224   1HD   PRO 218          1HD       PRO 218  13.790   1.495  -9.149
 2225   2HD   PRO 218          2HD       PRO 218  15.109   1.675  -7.973
 2226    H    ALA 219           H        ALA 219  17.454   1.134 -13.230
 2227    HA   ALA 219           HA       ALA 219  15.466   2.776 -14.740
 2228   1HB   ALA 219          1HB       ALA 219  18.347   2.382 -14.716
 2229   2HB   ALA 219          2HB       ALA 219  17.414   3.646 -15.516
 2230   3HB   ALA 219          3HB       ALA 219  17.700   2.110 -16.333
 2231    H    THR 220           H        THR 220  16.698  -0.461 -14.366
 2232    HA   THR 220           HA       THR 220  16.118  -1.609 -16.888
 2233    HB   THR 220           HB       THR 220  17.312  -2.712 -15.033
 2234    HG1  THR 220           HG1      THR 220  16.621  -4.389 -16.069
 2235   1HG2  THR 220          1HG2      THR 220  15.798  -3.646 -13.161
 2236   2HG2  THR 220          2HG2      THR 220  14.620  -2.445 -13.691
 2237   3HG2  THR 220          3HG2      THR 220  16.197  -1.930 -13.093
 2238    H    GLY 221           H        GLY 221  14.194  -3.531 -16.625
 2239   1HA   GLY 221          1HA       GLY 221  11.889  -3.826 -16.962
 2240   2HA   GLY 221          2HA       GLY 221  11.722  -2.884 -15.482
 2241   1HN   SAH 301          1HN       SAH 301 -11.153  -0.283  -8.838
 2242   2HN   SAH 301          2HN       SAH 301 -10.094   0.467  -9.940
 2243    HA   SAH 301           HA       SAH 301 -10.445   2.589  -8.594
 2244   1HB   SAH 301          1HB       SAH 301 -11.928   0.448  -7.153
 2245   2HB   SAH 301          2HB       SAH 301 -10.997   1.550  -6.142
 2246   1HG   SAH 301          1HG       SAH 301 -13.506   2.015  -7.510
 2247   2HG   SAH 301          2HG       SAH 301 -12.291   3.174  -8.053
 2248   1H5*  SAH 301          1H5*      SAH 301 -15.000   2.673  -6.106
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.926   3.838  -4.786
 2250    H4*  SAH 301           H4*      SAH 301 -14.093   5.381  -6.765
 2251    H3*  SAH 301           H3*      SAH 301 -16.527   4.904  -5.290
 2252   *HO3  SAH 301          *HO3      SAH 301 -16.745   7.224  -6.010
 2253    H2*  SAH 301           H2*      SAH 301 -18.062   4.676  -6.900
 2254   *HO2  SAH 301          *HO2      SAH 301 -18.033   6.955  -7.078
 2255    H1*  SAH 301           H1*      SAH 301 -16.539   4.947  -9.317
 2256    H8   SAH 301           H8       SAH 301 -16.540   1.844  -7.053
 2257   1HN6  SAH 301          1HN6      SAH 301 -21.133  -0.297 -10.207
 2258   2HN6  SAH 301          2HN6      SAH 301 -20.991   0.012  -8.491
 2259    H2   SAH 301           H2       SAH 301 -20.328   3.989 -11.736
 2260   1HN   SAH 302          1HN       SAH 302  11.413  -0.274   8.907
 2261   2HN   SAH 302          2HN       SAH 302  10.382   0.459  10.040
 2262    HA   SAH 302           HA       SAH 302  10.673   2.589   8.692
 2263   1HB   SAH 302          1HB       SAH 302  12.139   0.464   7.206
 2264   2HB   SAH 302          2HB       SAH 302  11.173   1.563   6.224
 2265   1HG   SAH 302          1HG       SAH 302  13.712   2.046   7.526
 2266   2HG   SAH 302          2HG       SAH 302  12.503   3.190   8.107
 2267   1H5*  SAH 302          1H5*      SAH 302  15.162   2.718   6.083
 2268   2H5*  SAH 302          2H5*      SAH 302  15.042   3.889   4.770
 2269    H4*  SAH 302           H4*      SAH 302  14.252   5.416   6.778
 2270    H3*  SAH 302           H3*      SAH 302  16.648   4.965   5.235
 2271   *HO3  SAH 302          *HO3      SAH 302  16.868   7.283   5.959
 2272    H2*  SAH 302           H2*      SAH 302  18.229   4.743   6.803
 2273   *HO2  SAH 302          *HO2      SAH 302  18.186   7.021   6.990
 2274    H1*  SAH 302           H1*      SAH 302  16.770   4.992   9.260
 2275    H8   SAH 302           H8       SAH 302  16.733   1.897   6.982
 2276   1HN6  SAH 302          1HN6      SAH 302  21.428  -0.218  10.004
 2277   2HN6  SAH 302          2HN6      SAH 302  21.237   0.097   8.294
 2278    H2   SAH 302           H2       SAH 302  20.631   4.055  11.571
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1   0.347 -12.620  -6.053
    2   2H    MET   1          2H        MET   1   0.090 -12.289  -4.407
    3   3H    MET   1          3H        MET   1   0.661 -11.068  -5.440
    4    HA   MET   1           HA       MET   1  -1.657 -10.668  -5.043
    5   1HB   MET   1          1HB       MET   1  -0.540 -11.589  -7.651
    6   2HB   MET   1          2HB       MET   1  -2.277 -11.295  -7.604
    7   1HG   MET   1          1HG       MET   1  -0.213  -9.305  -6.623
    8   2HG   MET   1          2HG       MET   1  -0.893  -9.279  -8.250
    9   1HE   MET   1          1HE       MET   1  -1.584  -7.314  -4.858
   10   2HE   MET   1          2HE       MET   1  -2.160  -6.328  -6.202
   11   3HE   MET   1          3HE       MET   1  -0.637  -7.206  -6.342
   12    H    PHE   2           H        PHE   2  -2.090 -13.314  -7.339
   13    HA   PHE   2           HA       PHE   2  -4.459 -14.326  -6.188
   14   1HB   PHE   2          1HB       PHE   2  -3.782 -16.412  -7.527
   15   2HB   PHE   2          2HB       PHE   2  -3.821 -14.902  -8.434
   16    HD1  PHE   2           HD1      PHE   2  -1.913 -14.153  -9.584
   17    HD2  PHE   2           HD2      PHE   2  -1.497 -17.126  -6.511
   18    HE1  PHE   2           HE1      PHE   2   0.478 -14.430 -10.177
   19    HE2  PHE   2           HE2      PHE   2   0.896 -17.403  -7.105
   20    HZ   PHE   2           HZ       PHE   2   1.882 -16.052  -8.938
   21    H    ASN   3           H        ASN   3  -4.871 -15.944  -4.658
   22    HA   ASN   3           HA       ASN   3  -2.561 -17.331  -3.387
   23   1HB   ASN   3          1HB       ASN   3  -3.175 -15.063  -2.305
   24   2HB   ASN   3          2HB       ASN   3  -4.664 -15.851  -1.784
   25   1HD2  ASN   3          1HD2      ASN   3  -3.617 -15.368   0.454
   26   2HD2  ASN   3          2HD2      ASN   3  -2.558 -16.541   1.076
   27    H    ASP   4           H        ASP   4  -3.324 -19.124  -1.964
   28    HA   ASP   4           HA       ASP   4  -5.463 -20.642  -3.157
   29   1HB   ASP   4          1HB       ASP   4  -3.727 -20.845  -0.688
   30   2HB   ASP   4          2HB       ASP   4  -4.964 -22.056  -1.028
   31    H    ARG   5           H        ARG   5  -6.921 -18.530  -2.707
   32    HA   ARG   5           HA       ARG   5  -9.003 -19.279  -0.904
   33   1HB   ARG   5          1HB       ARG   5  -6.706 -17.878   0.216
   34   2HB   ARG   5          2HB       ARG   5  -8.177 -16.927   0.425
   35   1HG   ARG   5          1HG       ARG   5  -9.103 -19.390   1.094
   36   2HG   ARG   5          2HG       ARG   5  -7.424 -19.539   1.616
   37   1HD   ARG   5          1HD       ARG   5  -7.761 -17.272   2.797
   38   2HD   ARG   5          2HD       ARG   5  -9.496 -17.531   2.535
   39    HE   ARG   5           HE       ARG   5  -8.376 -19.939   3.576
   40   1HH1  ARG   5          1HH1      ARG   5  -9.055 -16.662   4.537
   41   2HH1  ARG   5          2HH1      ARG   5  -9.259 -17.077   6.204
   42   1HH2  ARG   5          1HH2      ARG   5  -8.645 -20.451   5.746
   43   2HH2  ARG   5          2HH2      ARG   5  -9.029 -19.204   6.885
   44    H    VAL   6           H        VAL   6  -7.271 -16.639  -2.503
   45    HA   VAL   6           HA       VAL   6  -9.790 -15.708  -3.737
   46    HB   VAL   6           HB       VAL   6  -9.347 -13.368  -2.874
   47   1HG1  VAL   6          1HG1      VAL   6 -10.921 -15.158  -1.824
   48   2HG1  VAL   6          2HG1      VAL   6 -10.530 -13.723  -0.877
   49   3HG1  VAL   6          3HG1      VAL   6  -9.705 -15.247  -0.549
   50   1HG2  VAL   6          1HG2      VAL   6  -7.676 -12.914  -1.360
   51   2HG2  VAL   6          2HG2      VAL   6  -6.901 -14.245  -2.219
   52   3HG2  VAL   6          3HG2      VAL   6  -7.708 -14.539  -0.678
   53    H    ILE   7           H        ILE   7  -9.118 -13.601  -5.099
   54    HA   ILE   7           HA       ILE   7  -6.313 -13.633  -5.998
   55    HB   ILE   7           HB       ILE   7  -7.217 -15.569  -7.157
   56   1HG1  ILE   7          1HG1      ILE   7  -7.268 -13.235  -9.090
   57   2HG1  ILE   7          2HG1      ILE   7  -5.790 -13.966  -8.465
   58   1HG2  ILE   7          1HG2      ILE   7  -9.528 -15.441  -7.131
   59   2HG2  ILE   7          2HG2      ILE   7  -9.213 -14.966  -8.803
   60   3HG2  ILE   7          3HG2      ILE   7  -9.541 -13.733  -7.586
   61   1HD1  ILE   7          1HD1      ILE   7  -7.226 -14.799 -10.718
   62   2HD1  ILE   7          2HD1      ILE   7  -7.630 -15.984  -9.476
   63   3HD1  ILE   7          3HD1      ILE   7  -5.944 -15.697  -9.906
   64    H    VAL   8           H        VAL   8  -6.020 -11.974  -7.796
   65    HA   VAL   8           HA       VAL   8  -7.960  -9.737  -7.375
   66    HB   VAL   8           HB       VAL   8  -5.659  -9.360  -6.625
   67   1HG1  VAL   8          1HG1      VAL   8  -5.077 -10.748  -9.130
   68   2HG1  VAL   8          2HG1      VAL   8  -4.059 -10.532  -7.707
   69   3HG1  VAL   8          3HG1      VAL   8  -4.122  -9.278  -8.944
   70   1HG2  VAL   8          1HG2      VAL   8  -5.377  -7.273  -7.606
   71   2HG2  VAL   8          2HG2      VAL   8  -7.046  -7.614  -8.063
   72   3HG2  VAL   8          3HG2      VAL   8  -5.744  -7.870  -9.225
   73    H    LYS   9           H        LYS   9  -8.806  -8.654  -9.152
   74    HA   LYS   9           HA       LYS   9  -8.037  -9.569 -11.880
   75   1HB   LYS   9          1HB       LYS   9 -10.819  -9.466 -10.669
   76   2HB   LYS   9          2HB       LYS   9 -10.477  -9.827 -12.360
   77   1HG   LYS   9          1HG       LYS   9  -8.819 -11.605 -11.171
   78   2HG   LYS   9          2HG       LYS   9 -10.087 -11.519  -9.949
   79   1HD   LYS   9          1HD       LYS   9 -11.487 -12.731 -11.235
   80   2HD   LYS   9          2HD       LYS   9 -11.242 -11.649 -12.605
   81   1HE   LYS   9          1HE       LYS   9  -8.986 -12.878 -12.935
   82   2HE   LYS   9          2HE       LYS   9  -9.655 -14.112 -11.851
   83   1HZ   LYS   9          1HZ       LYS   9 -10.715 -13.163 -14.450
   84   2HZ   LYS   9          2HZ       LYS   9 -11.721 -13.937 -13.321
   85   3HZ   LYS   9          3HZ       LYS   9 -10.380 -14.757 -13.966
   86    H    LYS  10           H        LYS  10  -8.762  -6.185 -12.922
   87    HA   LYS  10           HA       LYS  10  -7.951  -7.385 -14.740
   88   1HB   LYS  10          1HB       LYS  10  -6.572  -8.229 -12.312
   89   2HB   LYS  10          2HB       LYS  10  -6.552  -9.490 -13.544
   90   1HG   LYS  10          1HG       LYS  10  -5.878  -6.627 -14.218
   91   2HG   LYS  10          2HG       LYS  10  -4.652  -7.737 -13.606
   92   1HD   LYS  10          1HD       LYS  10  -4.753  -9.100 -15.494
   93   2HD   LYS  10          2HD       LYS  10  -6.398  -8.602 -15.890
   94   1HE   LYS  10          1HE       LYS  10  -4.368  -6.432 -15.931
   95   2HE   LYS  10          2HE       LYS  10  -4.223  -7.652 -17.211
   96   1HZ   LYS  10          1HZ       LYS  10  -5.795  -5.868 -17.800
   97   2HZ   LYS  10          2HZ       LYS  10  -6.741  -6.260 -16.446
   98   3HZ   LYS  10          3HZ       LYS  10  -6.560  -7.381 -17.708
   99    H    SER  11           H        SER  11 -10.505  -7.974 -14.497
  100    HA   SER  11           HA       SER  11 -10.801 -10.943 -14.358
  101   1HB   SER  11          1HB       SER  11 -13.147  -9.158 -14.748
  102   2HB   SER  11          2HB       SER  11 -12.933 -10.485 -13.610
  103    HG   SER  11           HG       SER  11 -12.836  -7.954 -13.069
  104    HA   PRO  12           HA       PRO  12 -11.828 -11.592 -18.596
  105   1HB   PRO  12          1HB       PRO  12 -14.780 -11.429 -18.192
  106   2HB   PRO  12          2HB       PRO  12 -13.813 -12.742 -18.888
  107   1HG   PRO  12          1HG       PRO  12 -14.890 -12.888 -16.431
  108   2HG   PRO  12          2HG       PRO  12 -13.354 -13.659 -16.844
  109   1HD   PRO  12          1HD       PRO  12 -13.874 -11.231 -15.227
  110   2HD   PRO  12          2HD       PRO  12 -12.543 -12.402 -15.122
  111    H    LEU  13           H        LEU  13 -14.203  -9.279 -17.228
  112    HA   LEU  13           HA       LEU  13 -13.317  -7.220 -19.153
  113   1HB   LEU  13          1HB       LEU  13 -15.307  -8.978 -19.873
  114   2HB   LEU  13          2HB       LEU  13 -16.242  -7.662 -19.171
  115    HG   LEU  13           HG       LEU  13 -14.695  -6.132 -20.632
  116   1HD1  LEU  13          1HD1      LEU  13 -13.230  -7.207 -21.959
  117   2HD1  LEU  13          2HD1      LEU  13 -14.576  -8.000 -22.775
  118   3HD1  LEU  13          3HD1      LEU  13 -13.820  -8.763 -21.376
  119   1HD2  LEU  13          1HD2      LEU  13 -16.918  -7.888 -21.705
  120   2HD2  LEU  13          2HD2      LEU  13 -16.260  -6.516 -22.598
  121   3HD2  LEU  13          3HD2      LEU  13 -17.059  -6.258 -21.047
  122    H    GLY  14           H        GLY  14 -13.479  -7.583 -16.180
  123   1HA   GLY  14          1HA       GLY  14 -15.512  -5.520 -15.498
  124   2HA   GLY  14          2HA       GLY  14 -14.741  -6.599 -14.335
  125    H    GLY  15           H        GLY  15 -14.114  -4.717 -13.070
  126   1HA   GLY  15          1HA       GLY  15 -12.038  -2.990 -14.335
  127   2HA   GLY  15          2HA       GLY  15 -12.906  -2.602 -12.849
  128    H    TYR  16           H        TYR  16 -11.010  -2.376 -11.569
  129    HA   TYR  16           HA       TYR  16  -9.288  -4.809 -11.323
  130   1HB   TYR  16          1HB       TYR  16  -8.961  -1.874 -11.101
  131   2HB   TYR  16          2HB       TYR  16  -8.087  -2.801  -9.885
  132    HD1  TYR  16           HD1      TYR  16  -5.887  -3.265 -10.461
  133    HD2  TYR  16           HD2      TYR  16  -8.885  -3.217 -13.536
  134    HE1  TYR  16           HE1      TYR  16  -4.168  -3.865 -12.145
  135    HE2  TYR  16           HE2      TYR  16  -7.167  -3.818 -15.220
  136    HH   TYR  16           HH       TYR  16  -4.120  -4.979 -14.403
  137    H    GLY  17           H        GLY  17 -11.084  -5.813  -9.993
  138   1HA   GLY  17          1HA       GLY  17 -11.083  -4.754  -7.194
  139   2HA   GLY  17          2HA       GLY  17 -12.441  -5.640  -7.888
  140    H    VAL  18           H        VAL  18 -12.043  -7.102  -5.930
  141    HA   VAL  18           HA       VAL  18  -9.805  -9.012  -6.567
  142    HB   VAL  18           HB       VAL  18  -9.302  -7.977  -4.481
  143   1HG1  VAL  18          1HG1      VAL  18 -12.220  -8.332  -3.761
  144   2HG1  VAL  18          2HG1      VAL  18 -11.407  -6.812  -4.119
  145   3HG1  VAL  18          3HG1      VAL  18 -10.983  -7.718  -2.667
  146   1HG2  VAL  18          1HG2      VAL  18  -9.621  -9.752  -2.799
  147   2HG2  VAL  18          2HG2      VAL  18  -9.171 -10.437  -4.361
  148   3HG2  VAL  18          3HG2      VAL  18 -10.848 -10.502  -3.820
  149    H    PHE  19           H        PHE  19 -10.481 -11.065  -7.061
  150    HA   PHE  19           HA       PHE  19 -13.382 -11.609  -7.029
  151   1HB   PHE  19          1HB       PHE  19 -10.974 -12.410  -8.469
  152   2HB   PHE  19          2HB       PHE  19 -11.954 -13.808  -8.033
  153    HD1  PHE  19           HD1      PHE  19 -12.687 -10.279  -9.108
  154    HD2  PHE  19           HD2      PHE  19 -13.377 -14.471  -9.745
  155    HE1  PHE  19           HE1      PHE  19 -14.270  -9.741 -10.940
  156    HE2  PHE  19           HE2      PHE  19 -14.960 -13.932 -11.576
  157    HZ   PHE  19           HZ       PHE  19 -15.406 -11.567 -12.175
  158    H    ALA  20           H        ALA  20 -14.236 -13.619  -6.145
  159    HA   ALA  20           HA       ALA  20 -12.725 -14.546  -3.737
  160   1HB   ALA  20          1HB       ALA  20 -15.365 -13.644  -4.234
  161   2HB   ALA  20          2HB       ALA  20 -14.739 -14.309  -2.725
  162   3HB   ALA  20          3HB       ALA  20 -15.498 -15.372  -3.910
  163    H    ARG  21           H        ARG  21 -11.488 -16.236  -4.655
  164    HA   ARG  21           HA       ARG  21 -12.565 -18.215  -6.476
  165   1HB   ARG  21          1HB       ARG  21 -10.138 -17.436  -5.960
  166   2HB   ARG  21          2HB       ARG  21 -10.221 -18.546  -4.598
  167   1HG   ARG  21          1HG       ARG  21 -10.516 -20.429  -6.010
  168   2HG   ARG  21          2HG       ARG  21 -10.936 -19.424  -7.395
  169   1HD   ARG  21          1HD       ARG  21  -8.480 -18.434  -6.930
  170   2HD   ARG  21          2HD       ARG  21  -8.242 -20.067  -6.277
  171    HE   ARG  21           HE       ARG  21  -8.727 -19.393  -9.083
  172   1HH1  ARG  21          1HH1      ARG  21  -9.057 -21.809  -6.599
  173   2HH1  ARG  21          2HH1      ARG  21  -9.113 -23.119  -7.727
  174   1HH2  ARG  21          1HH2      ARG  21  -8.802 -21.111 -10.527
  175   2HH2  ARG  21          2HH2      ARG  21  -8.970 -22.729  -9.934
  176    H    LYS  22           H        LYS  22 -12.738 -17.749  -3.045
  177    HA   LYS  22           HA       LYS  22 -13.488 -20.586  -2.538
  178   1HB   LYS  22          1HB       LYS  22 -13.101 -18.153  -0.745
  179   2HB   LYS  22          2HB       LYS  22 -13.355 -19.799  -0.172
  180   1HG   LYS  22          1HG       LYS  22 -11.148 -19.364  -2.127
  181   2HG   LYS  22          2HG       LYS  22 -10.899 -18.781  -0.481
  182   1HD   LYS  22          1HD       LYS  22 -11.929 -21.569  -0.995
  183   2HD   LYS  22          2HD       LYS  22 -10.201 -21.222  -1.024
  184   1HE   LYS  22          1HE       LYS  22 -10.197 -21.403   1.235
  185   2HE   LYS  22          2HE       LYS  22 -11.224 -19.959   1.302
  186   1HZ   LYS  22          1HZ       LYS  22 -12.049 -22.801   1.125
  187   2HZ   LYS  22          2HZ       LYS  22 -13.106 -21.541   0.703
  188   3HZ   LYS  22          3HZ       LYS  22 -12.502 -21.648   2.286
  189    H    SER  23           H        SER  23 -16.889 -19.703  -1.385
  190    HA   SER  23           HA       SER  23 -14.423 -21.317  -0.856
  191   1HB   SER  23          1HB       SER  23 -16.418 -22.475  -1.739
  192   2HB   SER  23          2HB       SER  23 -16.106 -22.986  -0.080
  193    HG   SER  23           HG       SER  23 -17.892 -22.077   0.542
  194    H    PHE  24           H        PHE  24 -16.733 -19.127   0.572
  195    HA   PHE  24           HA       PHE  24 -15.387 -19.507   3.231
  196   1HB   PHE  24          1HB       PHE  24 -16.568 -17.119   1.779
  197   2HB   PHE  24          2HB       PHE  24 -16.098 -17.058   3.477
  198    HD1  PHE  24           HD1      PHE  24 -13.673 -18.654   3.597
  199    HD2  PHE  24           HD2      PHE  24 -14.972 -15.907   0.561
  200    HE1  PHE  24           HE1      PHE  24 -11.314 -18.274   2.931
  201    HE2  PHE  24           HE2      PHE  24 -12.614 -15.527  -0.105
  202    HZ   PHE  24           HZ       PHE  24 -10.785 -16.711   1.080
  203    H    GLU  25           H        GLU  25 -16.749 -19.308   5.126
  204    HA   GLU  25           HA       GLU  25 -19.508 -20.250   4.688
  205   1HB   GLU  25          1HB       GLU  25 -17.453 -20.195   6.798
  206   2HB   GLU  25          2HB       GLU  25 -19.079 -19.914   7.408
  207   1HG   GLU  25          1HG       GLU  25 -19.563 -21.966   5.707
  208   2HG   GLU  25          2HG       GLU  25 -17.920 -22.342   6.209
  209    H    LYS  26           H        LYS  26 -18.512 -17.979   7.234
  210    HA   LYS  26           HA       LYS  26 -19.722 -15.643   6.085
  211   1HB   LYS  26          1HB       LYS  26 -21.726 -17.144   6.362
  212   2HB   LYS  26          2HB       LYS  26 -21.433 -17.153   8.091
  213   1HG   LYS  26          1HG       LYS  26 -21.495 -14.568   7.920
  214   2HG   LYS  26          2HG       LYS  26 -22.225 -14.834   6.336
  215   1HD   LYS  26          1HD       LYS  26 -23.854 -16.422   7.595
  216   2HD   LYS  26          2HD       LYS  26 -23.297 -15.592   9.049
  217   1HE   LYS  26          1HE       LYS  26 -23.801 -13.435   7.506
  218   2HE   LYS  26          2HE       LYS  26 -24.980 -14.565   6.813
  219   1HZ   LYS  26          1HZ       LYS  26 -25.692 -15.105   9.086
  220   2HZ   LYS  26          2HZ       LYS  26 -25.930 -13.461   8.734
  221   3HZ   LYS  26          3HZ       LYS  26 -24.620 -13.941   9.702
  222    H    GLY  27           H        GLY  27 -17.863 -14.693   7.065
  223   1HA   GLY  27          1HA       GLY  27 -17.515 -13.165   9.024
  224   2HA   GLY  27          2HA       GLY  27 -17.990 -14.518  10.049
  225    H    GLU  28           H        GLU  28 -16.036 -15.286   7.295
  226    HA   GLU  28           HA       GLU  28 -13.778 -15.933   9.121
  227   1HB   GLU  28          1HB       GLU  28 -14.417 -16.660   6.234
  228   2HB   GLU  28          2HB       GLU  28 -13.072 -17.314   7.167
  229   1HG   GLU  28          1HG       GLU  28 -14.629 -18.288   8.786
  230   2HG   GLU  28          2HG       GLU  28 -15.996 -17.572   7.932
  231    H    LEU  29           H        LEU  29 -11.620 -15.235   8.602
  232    HA   LEU  29           HA       LEU  29 -11.467 -12.579   7.404
  233   1HB   LEU  29          1HB       LEU  29 -10.196 -13.700   9.409
  234   2HB   LEU  29          2HB       LEU  29  -9.142 -14.354   8.156
  235    HG   LEU  29           HG       LEU  29  -8.269 -12.219   9.055
  236   1HD1  LEU  29          1HD1      LEU  29  -7.662 -11.342   6.976
  237   2HD1  LEU  29          2HD1      LEU  29  -9.263 -11.609   6.286
  238   3HD1  LEU  29          3HD1      LEU  29  -8.174 -12.973   6.541
  239   1HD2  LEU  29          1HD2      LEU  29 -10.144 -10.436   7.790
  240   2HD2  LEU  29          2HD2      LEU  29  -9.645 -10.490   9.480
  241   3HD2  LEU  29          3HD2      LEU  29 -11.000 -11.474   8.929
  242    H    VAL  30           H        VAL  30 -11.211 -12.245   5.244
  243    HA   VAL  30           HA       VAL  30 -10.421 -14.447   3.460
  244    HB   VAL  30           HB       VAL  30 -11.157 -11.522   3.066
  245   1HG1  VAL  30          1HG1      VAL  30 -11.625 -12.579   0.665
  246   2HG1  VAL  30          2HG1      VAL  30 -10.342 -13.682   1.163
  247   3HG1  VAL  30          3HG1      VAL  30 -10.033 -11.947   1.087
  248   1HG2  VAL  30          1HG2      VAL  30 -12.685 -14.123   2.779
  249   2HG2  VAL  30          2HG2      VAL  30 -13.274 -12.576   2.171
  250   3HG2  VAL  30          3HG2      VAL  30 -13.022 -12.805   3.902
  251    H    GLU  31           H        GLU  31  -9.156 -11.214   4.331
  252    HA   GLU  31           HA       GLU  31  -6.401 -12.060   4.168
  253   1HB   GLU  31          1HB       GLU  31  -7.756 -11.534   1.729
  254   2HB   GLU  31          2HB       GLU  31  -6.690 -10.157   2.004
  255   1HG   GLU  31          1HG       GLU  31  -5.739 -13.015   2.278
  256   2HG   GLU  31          2HG       GLU  31  -5.666 -12.140   0.748
  257    H    GLU  32           H        GLU  32  -5.040 -10.422   4.996
  258    HA   GLU  32           HA       GLU  32  -6.345  -7.777   5.549
  259   1HB   GLU  32          1HB       GLU  32  -5.209  -7.908   7.767
  260   2HB   GLU  32          2HB       GLU  32  -6.322  -9.256   7.525
  261   1HG   GLU  32          1HG       GLU  32  -4.519 -10.749   6.975
  262   2HG   GLU  32          2HG       GLU  32  -3.365  -9.418   6.892
  263    H    CYS  33           H        CYS  33  -4.913  -5.973   5.518
  264    HA   CYS  33           HA       CYS  33  -2.074  -6.503   4.761
  265   1HB   CYS  33          1HB       CYS  33  -4.036  -4.687   3.307
  266   2HB   CYS  33          2HB       CYS  33  -2.343  -4.922   2.875
  267    HG   CYS  33           HG       CYS  33  -3.455  -6.654   1.404
  268    H    LEU  34           H        LEU  34  -1.605  -3.692   4.171
  269    HA   LEU  34           HA       LEU  34  -1.828  -2.594   6.949
  270   1HB   LEU  34          1HB       LEU  34   0.289  -2.956   5.055
  271   2HB   LEU  34          2HB       LEU  34   0.060  -1.223   5.274
  272    HG   LEU  34           HG       LEU  34   0.166  -1.549   7.739
  273   1HD1  LEU  34          1HD1      LEU  34   0.520  -4.406   6.851
  274   2HD1  LEU  34          2HD1      LEU  34  -0.518  -3.765   8.125
  275   3HD1  LEU  34          3HD1      LEU  34   1.226  -3.858   8.371
  276   1HD2  LEU  34          1HD2      LEU  34   2.485  -2.554   6.071
  277   2HD2  LEU  34          2HD2      LEU  34   2.622  -2.195   7.792
  278   3HD2  LEU  34          3HD2      LEU  34   2.213  -0.912   6.654
  279    H    CYS  35           H        CYS  35  -1.687  -0.066   6.862
  280    HA   CYS  35           HA       CYS  35  -3.145   1.099   4.550
  281   1HB   CYS  35          1HB       CYS  35  -4.112   0.783   7.387
  282   2HB   CYS  35          2HB       CYS  35  -4.652   2.167   6.438
  283    HG   CYS  35           HG       CYS  35  -6.362   0.389   5.811
  284    H    ILE  36           H        ILE  36  -3.159   3.543   4.746
  285    HA   ILE  36           HA       ILE  36  -0.700   4.434   6.224
  286    HB   ILE  36           HB       ILE  36  -2.153   5.728   3.892
  287   1HG1  ILE  36          1HG1      ILE  36   0.214   3.822   3.918
  288   2HG1  ILE  36          2HG1      ILE  36  -1.371   3.519   3.209
  289   1HG2  ILE  36          1HG2      ILE  36  -0.053   6.967   3.621
  290   2HG2  ILE  36          2HG2      ILE  36   0.658   6.089   4.976
  291   3HG2  ILE  36          3HG2      ILE  36  -0.683   7.202   5.252
  292   1HD1  ILE  36          1HD1      ILE  36  -0.283   5.999   2.183
  293   2HD1  ILE  36          2HD1      ILE  36  -0.784   4.559   1.299
  294   3HD1  ILE  36          3HD1      ILE  36   0.858   4.678   1.930
  295    H    VAL  37           H        VAL  37  -0.865   6.184   7.653
  296    HA   VAL  37           HA       VAL  37  -3.642   7.224   8.116
  297    HB   VAL  37           HB       VAL  37  -1.298   6.803  10.005
  298   1HG1  VAL  37          1HG1      VAL  37  -3.252   7.088  11.700
  299   2HG1  VAL  37          2HG1      VAL  37  -4.086   7.882  10.364
  300   3HG1  VAL  37          3HG1      VAL  37  -2.563   8.537  10.967
  301   1HG2  VAL  37          1HG2      VAL  37  -3.152   5.118  10.906
  302   2HG2  VAL  37          2HG2      VAL  37  -2.037   4.644   9.624
  303   3HG2  VAL  37          3HG2      VAL  37  -3.673   5.167   9.221
  304    H    ARG  38           H        ARG  38  -3.834   9.359   7.593
  305    HA   ARG  38           HA       ARG  38  -1.617  11.222   8.253
  306   1HB   ARG  38          1HB       ARG  38  -1.263  10.361   5.941
  307   2HB   ARG  38          2HB       ARG  38  -2.878  10.920   5.507
  308   1HG   ARG  38          1HG       ARG  38  -1.147  12.553   4.824
  309   2HG   ARG  38          2HG       ARG  38  -2.232  13.236   6.036
  310   1HD   ARG  38          1HD       ARG  38  -0.608  13.005   7.770
  311   2HD   ARG  38          2HD       ARG  38   0.391  11.916   6.790
  312    HE   ARG  38           HE       ARG  38  -0.010  14.425   5.423
  313   1HH1  ARG  38          1HH1      ARG  38   1.756  12.938   8.028
  314   2HH1  ARG  38          2HH1      ARG  38   3.074  14.052   7.916
  315   1HH2  ARG  38          1HH2      ARG  38   1.712  15.859   5.297
  316   2HH2  ARG  38          2HH2      ARG  38   3.051  15.694   6.383
  317    H    HIS  39           H        HIS  39  -2.392  13.303   8.736
  318    HA   HIS  39           HA       HIS  39  -5.095  13.681   9.489
  319   1HB   HIS  39          1HB       HIS  39  -2.930  15.658   8.681
  320   2HB   HIS  39          2HB       HIS  39  -4.385  16.081   9.584
  321    HD1  HIS  39           HD1      HIS  39  -1.216  16.021  10.535
  322    HD2  HIS  39           HD2      HIS  39  -4.302  13.460  11.676
  323    HE1  HIS  39           HE1      HIS  39  -0.529  15.015  12.757
  324    H    ASN  40           H        ASN  40  -6.093  15.971   8.397
  325    HA   ASN  40           HA       ASN  40  -6.652  15.148   5.577
  326   1HB   ASN  40          1HB       ASN  40  -8.144  16.414   7.834
  327   2HB   ASN  40          2HB       ASN  40  -8.596  16.904   6.201
  328   1HD2  ASN  40          1HD2      ASN  40  -9.832  15.434   4.959
  329   2HD2  ASN  40          2HD2      ASN  40 -10.238  13.869   5.477
  330    H    ASP  41           H        ASP  41  -5.136  16.274   4.351
  331    HA   ASP  41           HA       ASP  41  -5.476  19.171   4.102
  332   1HB   ASP  41          1HB       ASP  41  -3.090  19.579   4.674
  333   2HB   ASP  41          2HB       ASP  41  -3.958  18.895   6.040
  334    H    ASP  42           H        ASP  42  -2.549  19.016   2.913
  335    HA   ASP  42           HA       ASP  42  -3.160  18.626   0.193
  336   1HB   ASP  42          1HB       ASP  42  -0.653  18.277   1.862
  337   2HB   ASP  42          2HB       ASP  42  -0.623  18.136   0.104
  338    H    TRP  43           H        TRP  43  -2.576  16.294   2.722
  339    HA   TRP  43           HA       TRP  43  -1.944  13.964   1.218
  340   1HB   TRP  43          1HB       TRP  43  -1.749  13.956   3.596
  341   2HB   TRP  43          2HB       TRP  43  -3.374  14.595   3.814
  342    HD1  TRP  43           HD1      TRP  43  -5.189  12.905   4.353
  343    HE1  TRP  43           HE1      TRP  43  -5.404  10.336   4.235
  344    HE3  TRP  43           HE3      TRP  43  -0.784  11.750   2.037
  345    HZ2  TRP  43           HZ2      TRP  43  -3.906   8.094   3.287
  346    HZ3  TRP  43           HZ3      TRP  43  -0.209   9.393   1.538
  347    HH2  TRP  43           HH2      TRP  43  -1.761   7.564   2.160
  348    H    GLY  44           H        GLY  44  -5.159  15.049   2.402
  349   1HA   GLY  44          1HA       GLY  44  -6.692  13.115   1.014
  350   2HA   GLY  44          2HA       GLY  44  -7.301  14.694   1.513
  351    H    THR  45           H        THR  45  -5.360  16.208  -0.061
  352    HA   THR  45           HA       THR  45  -6.797  16.304  -2.570
  353    HB   THR  45           HB       THR  45  -4.121  17.496  -1.752
  354    HG1  THR  45           HG1      THR  45  -5.311  18.527  -0.385
  355   1HG2  THR  45          1HG2      THR  45  -6.003  17.887  -4.031
  356   2HG2  THR  45          2HG2      THR  45  -4.246  18.036  -3.987
  357   3HG2  THR  45          3HG2      THR  45  -5.258  19.333  -3.349
  358    H    ALA  46           H        ALA  46  -3.278  15.781  -2.105
  359    HA   ALA  46           HA       ALA  46  -2.719  14.725  -4.646
  360   1HB   ALA  46          1HB       ALA  46  -0.873  15.232  -3.304
  361   2HB   ALA  46          2HB       ALA  46  -0.895  13.474  -3.164
  362   3HB   ALA  46          3HB       ALA  46  -1.576  14.469  -1.878
  363    H    LEU  47           H        LEU  47  -3.463  12.868  -1.667
  364    HA   LEU  47           HA       LEU  47  -3.746  10.389  -3.255
  365   1HB   LEU  47          1HB       LEU  47  -3.699  11.201  -0.350
  366   2HB   LEU  47          2HB       LEU  47  -4.286   9.599  -0.796
  367    HG   LEU  47           HG       LEU  47  -1.880   9.528  -0.285
  368   1HD1  LEU  47          1HD1      LEU  47  -1.850   9.279  -3.243
  369   2HD1  LEU  47          2HD1      LEU  47  -3.102   8.367  -2.399
  370   3HD1  LEU  47          3HD1      LEU  47  -1.403   8.101  -2.009
  371   1HD2  LEU  47          1HD2      LEU  47  -0.292  10.883  -1.337
  372   2HD2  LEU  47          2HD2      LEU  47  -1.644  11.996  -1.131
  373   3HD2  LEU  47          3HD2      LEU  47  -1.355  11.239  -2.698
  374    H    GLU  48           H        GLU  48  -5.731  12.447  -3.809
  375    HA   GLU  48           HA       GLU  48  -8.165  11.992  -2.335
  376   1HB   GLU  48          1HB       GLU  48  -9.137  13.184  -4.321
  377   2HB   GLU  48          2HB       GLU  48  -7.710  13.995  -3.674
  378   1HG   GLU  48          1HG       GLU  48  -6.790  13.866  -5.726
  379   2HG   GLU  48          2HG       GLU  48  -6.733  12.115  -5.530
  380    H    ASP  49           H        ASP  49  -7.546   9.441  -2.587
  381    HA   ASP  49           HA       ASP  49  -9.659   8.239  -4.101
  382   1HB   ASP  49          1HB       ASP  49  -7.465   9.039  -5.636
  383   2HB   ASP  49          2HB       ASP  49  -7.177   7.320  -5.369
  384    H    TYR  50           H        TYR  50  -9.934   6.127  -3.377
  385    HA   TYR  50           HA       TYR  50  -9.533   4.151  -2.148
  386   1HB   TYR  50          1HB       TYR  50  -6.584   4.742  -2.483
  387   2HB   TYR  50          2HB       TYR  50  -7.392   3.179  -2.481
  388    HD1  TYR  50           HD1      TYR  50  -5.811   5.484  -4.532
  389    HD2  TYR  50           HD2      TYR  50  -9.347   3.042  -4.414
  390    HE1  TYR  50           HE1      TYR  50  -5.962   5.580  -7.004
  391    HE2  TYR  50           HE2      TYR  50  -9.495   3.141  -6.884
  392    HH   TYR  50           HH       TYR  50  -7.762   3.526  -8.817
  393    H    LEU  51           H        LEU  51  -9.646   6.786  -0.748
  394    HA   LEU  51           HA       LEU  51  -7.795   6.283   1.548
  395   1HB   LEU  51          1HB       LEU  51  -9.355   8.660   0.504
  396   2HB   LEU  51          2HB       LEU  51  -8.681   8.662   2.130
  397    HG   LEU  51           HG       LEU  51  -7.167   8.442  -0.488
  398   1HD1  LEU  51          1HD1      LEU  51  -5.981  10.432   0.749
  399   2HD1  LEU  51          2HD1      LEU  51  -7.463  10.481   1.704
  400   3HD1  LEU  51          3HD1      LEU  51  -7.532  10.712  -0.043
  401   1HD2  LEU  51          1HD2      LEU  51  -5.131   8.431   1.054
  402   2HD2  LEU  51          2HD2      LEU  51  -6.044   6.923   0.982
  403   3HD2  LEU  51          3HD2      LEU  51  -6.239   8.007   2.360
  404    H    PHE  52           H        PHE  52  -8.624   5.674   3.496
  405    HA   PHE  52           HA       PHE  52 -11.601   5.607   3.826
  406   1HB   PHE  52          1HB       PHE  52  -9.269   3.950   4.787
  407   2HB   PHE  52          2HB       PHE  52 -10.777   3.943   5.699
  408    HD1  PHE  52           HD1      PHE  52 -12.472   2.454   5.080
  409    HD2  PHE  52           HD2      PHE  52  -9.516   3.603   2.182
  410    HE1  PHE  52           HE1      PHE  52 -13.448   0.858   3.452
  411    HE2  PHE  52           HE2      PHE  52 -10.492   2.007   0.554
  412    HZ   PHE  52           HZ       PHE  52 -12.458   0.634   1.189
  413    H    SER  53           H        SER  53 -12.026   7.600   4.830
  414    HA   SER  53           HA       SER  53 -10.151   8.659   6.837
  415   1HB   SER  53          1HB       SER  53 -11.349   9.969   5.019
  416   2HB   SER  53          2HB       SER  53 -12.846   9.704   5.913
  417    HG   SER  53           HG       SER  53 -11.826  10.715   7.713
  418    H    ARG  54           H        ARG  54 -10.368   8.351   8.987
  419    HA   ARG  54           HA       ARG  54 -12.922   7.221  10.037
  420   1HB   ARG  54          1HB       ARG  54 -10.173   6.678  10.381
  421   2HB   ARG  54          2HB       ARG  54 -10.687   7.426  11.892
  422   1HG   ARG  54          1HG       ARG  54 -12.040   5.673  12.447
  423   2HG   ARG  54          2HG       ARG  54 -12.549   5.409  10.779
  424   1HD   ARG  54          1HD       ARG  54 -10.742   4.020  10.310
  425   2HD   ARG  54          2HD       ARG  54  -9.708   4.782  11.532
  426    HE   ARG  54           HE       ARG  54 -10.642   3.319  13.138
  427   1HH1  ARG  54          1HH1      ARG  54 -12.679   3.516  10.322
  428   2HH1  ARG  54          2HH1      ARG  54 -13.767   2.298  10.890
  429   1HH2  ARG  54          1HH2      ARG  54 -12.069   1.740  13.852
  430   2HH2  ARG  54          2HH2      ARG  54 -13.427   1.299  12.872
  431    H    LYS  55           H        LYS  55 -13.119   8.029  12.528
  432    HA   LYS  55           HA       LYS  55 -13.619  10.886  12.369
  433   1HB   LYS  55          1HB       LYS  55 -14.241   8.568  14.035
  434   2HB   LYS  55          2HB       LYS  55 -13.892   9.985  15.025
  435   1HG   LYS  55          1HG       LYS  55 -15.466  11.140  13.168
  436   2HG   LYS  55          2HG       LYS  55 -16.128   9.506  13.118
  437   1HD   LYS  55          1HD       LYS  55 -16.977   9.642  15.242
  438   2HD   LYS  55          2HD       LYS  55 -15.638  10.632  15.823
  439   1HE   LYS  55          1HE       LYS  55 -17.051  12.409  15.689
  440   2HE   LYS  55          2HE       LYS  55 -16.961  12.241  13.925
  441   1HZ   LYS  55          1HZ       LYS  55 -18.792  10.782  13.917
  442   2HZ   LYS  55          2HZ       LYS  55 -19.256  12.046  14.953
  443   3HZ   LYS  55          3HZ       LYS  55 -18.743  10.562  15.600
  444    H    ASN  56           H        ASN  56 -11.245  11.345  11.961
  445    HA   ASN  56           HA       ASN  56  -9.322  11.040  14.110
  446   1HB   ASN  56          1HB       ASN  56 -10.408  13.826  13.652
  447   2HB   ASN  56          2HB       ASN  56 -11.104  12.759  14.871
  448   1HD2  ASN  56          1HD2      ASN  56 -10.128  12.891  16.897
  449   2HD2  ASN  56          2HD2      ASN  56  -8.554  13.457  17.187
  450    H    MET  57           H        MET  57  -9.590  10.817  11.106
  451    HA   MET  57           HA       MET  57  -8.120  12.973   9.874
  452   1HB   MET  57          1HB       MET  57  -5.897  11.889   9.814
  453   2HB   MET  57          2HB       MET  57  -6.405  12.173  11.475
  454   1HG   MET  57          1HG       MET  57  -7.110   9.552  10.226
  455   2HG   MET  57          2HG       MET  57  -5.445   9.813  10.715
  456   1HE   MET  57          1HE       MET  57  -5.240  11.062  13.715
  457   2HE   MET  57          2HE       MET  57  -4.552   9.984  12.501
  458   3HE   MET  57          3HE       MET  57  -5.087   9.337  14.053
  459    H    SER  58           H        SER  58  -6.681  11.707   7.935
  460    HA   SER  58           HA       SER  58  -8.684   9.890   6.637
  461   1HB   SER  58          1HB       SER  58  -7.344  10.912   4.561
  462   2HB   SER  58          2HB       SER  58  -8.656  11.811   5.321
  463    HG   SER  58           HG       SER  58  -7.081  13.247   5.404
  464    H    ALA  59           H        ALA  59  -7.903   7.936   5.832
  465    HA   ALA  59           HA       ALA  59  -4.933   7.510   5.917
  466   1HB   ALA  59          1HB       ALA  59  -5.539   6.311   7.786
  467   2HB   ALA  59          2HB       ALA  59  -5.978   5.083   6.596
  468   3HB   ALA  59          3HB       ALA  59  -7.216   6.152   7.258
  469    H    MET  60           H        MET  60  -4.332   5.490   4.596
  470    HA   MET  60           HA       MET  60  -6.046   5.381   2.144
  471   1HB   MET  60          1HB       MET  60  -3.398   5.980   2.447
  472   2HB   MET  60          2HB       MET  60  -3.301   4.243   2.166
  473   1HG   MET  60          1HG       MET  60  -5.059   4.875   0.234
  474   2HG   MET  60          2HG       MET  60  -4.212   6.418   0.341
  475   1HE   MET  60          1HE       MET  60  -3.465   6.657  -1.538
  476   2HE   MET  60          2HE       MET  60  -3.232   5.320  -2.665
  477   3HE   MET  60          3HE       MET  60  -1.836   6.182  -2.018
  478    H    ALA  61           H        ALA  61  -5.935   3.153   1.029
  479    HA   ALA  61           HA       ALA  61  -6.731   1.126   2.977
  480   1HB   ALA  61          1HB       ALA  61  -6.588   0.017   0.397
  481   2HB   ALA  61          2HB       ALA  61  -6.924   1.727   0.127
  482   3HB   ALA  61          3HB       ALA  61  -8.007   0.764   1.131
  483    H    LEU  62           H        LEU  62  -3.953   1.589   0.791
  484    HA   LEU  62           HA       LEU  62  -2.363  -0.239   2.425
  485   1HB   LEU  62          1HB       LEU  62  -1.211   0.620  -0.116
  486   2HB   LEU  62          2HB       LEU  62  -1.966   1.964   0.742
  487    HG   LEU  62           HG       LEU  62  -0.714   1.169   2.819
  488   1HD1  LEU  62          1HD1      LEU  62   0.311  -0.711   0.741
  489   2HD1  LEU  62          2HD1      LEU  62   0.047  -0.977   2.464
  490   3HD1  LEU  62          3HD1      LEU  62   1.473  -0.095   1.917
  491   1HD2  LEU  62          1HD2      LEU  62   1.433   1.812   0.919
  492   2HD2  LEU  62          2HD2      LEU  62   0.866   2.716   2.321
  493   3HD2  LEU  62          3HD2      LEU  62   0.028   2.869   0.778
  494    H    GLY  63           H        GLY  63  -3.218  -2.347   2.102
  495   1HA   GLY  63          1HA       GLY  63  -2.168  -3.748  -0.186
  496   2HA   GLY  63          2HA       GLY  63  -3.198  -4.451   1.059
  497    H    PHE  64           H        PHE  64  -5.103  -5.178   0.291
  498    HA   PHE  64           HA       PHE  64  -6.067  -4.267  -2.350
  499   1HB   PHE  64          1HB       PHE  64  -7.097  -6.357  -0.395
  500   2HB   PHE  64          2HB       PHE  64  -7.560  -6.209  -2.089
  501    HD1  PHE  64           HD1      PHE  64  -5.312  -7.756   0.187
  502    HD2  PHE  64           HD2      PHE  64  -5.590  -6.252  -3.826
  503    HE1  PHE  64           HE1      PHE  64  -3.369  -9.149  -0.470
  504    HE2  PHE  64           HE2      PHE  64  -3.648  -7.644  -4.482
  505    HZ   PHE  64           HZ       PHE  64  -2.537  -9.094  -2.805
  506    H    GLY  65           H        GLY  65  -6.295  -2.508   0.133
  507   1HA   GLY  65          1HA       GLY  65  -9.136  -2.474   0.779
  508   2HA   GLY  65          2HA       GLY  65  -7.952  -1.265   1.268
  509    H    ALA  66           H        ALA  66  -7.114  -1.077  -1.677
  510    HA   ALA  66           HA       ALA  66  -9.105   0.991  -2.390
  511   1HB   ALA  66          1HB       ALA  66  -7.365   1.599  -4.033
  512   2HB   ALA  66          2HB       ALA  66  -6.481   0.121  -3.652
  513   3HB   ALA  66          3HB       ALA  66  -6.649   1.386  -2.435
  514    H    ILE  67           H        ILE  67  -7.638  -1.912  -3.907
  515    HA   ILE  67           HA       ILE  67  -8.939  -1.947  -6.371
  516    HB   ILE  67           HB       ILE  67  -8.782  -4.462  -6.103
  517   1HG1  ILE  67          1HG1      ILE  67  -7.382  -4.889  -3.828
  518   2HG1  ILE  67          2HG1      ILE  67  -8.464  -3.616  -3.271
  519   1HG2  ILE  67          1HG2      ILE  67  -6.462  -2.697  -5.316
  520   2HG2  ILE  67          2HG2      ILE  67  -6.844  -3.340  -6.914
  521   3HG2  ILE  67          3HG2      ILE  67  -6.282  -4.422  -5.638
  522   1HD1  ILE  67          1HD1      ILE  67  -9.148  -6.234  -3.292
  523   2HD1  ILE  67          2HD1      ILE  67  -9.715  -5.759  -4.893
  524   3HD1  ILE  67          3HD1      ILE  67 -10.323  -4.930  -3.461
  525    H    PHE  68           H        PHE  68 -10.327  -2.531  -3.211
  526    HA   PHE  68           HA       PHE  68 -12.626  -3.992  -3.680
  527   1HB   PHE  68          1HB       PHE  68 -11.909  -1.608  -1.996
  528   2HB   PHE  68          2HB       PHE  68 -13.566  -2.200  -1.963
  529    HD1  PHE  68           HD1      PHE  68 -10.890  -2.298  -0.011
  530    HD2  PHE  68           HD2      PHE  68 -13.272  -5.096  -2.233
  531    HE1  PHE  68           HE1      PHE  68 -10.194  -4.114   1.528
  532    HE2  PHE  68           HE2      PHE  68 -12.576  -6.911  -0.696
  533    HZ   PHE  68           HZ       PHE  68 -11.038  -6.421   1.186
  534    H    ASN  69           H        ASN  69 -14.025  -3.776  -5.383
  535    HA   ASN  69           HA       ASN  69 -14.580  -1.109  -6.541
  536   1HB   ASN  69          1HB       ASN  69 -15.317  -3.975  -7.229
  537   2HB   ASN  69          2HB       ASN  69 -15.817  -2.589  -8.198
  538   1HD2  ASN  69          1HD2      ASN  69 -14.204  -4.439  -9.479
  539   2HD2  ASN  69          2HD2      ASN  69 -12.630  -3.822  -9.666
  540    H    HIS  70           H        HIS  70 -17.050  -0.946  -7.266
  541    HA   HIS  70           HA       HIS  70 -18.678  -1.255  -4.781
  542   1HB   HIS  70          1HB       HIS  70 -18.428   1.001  -5.704
  543   2HB   HIS  70          2HB       HIS  70 -18.950   0.441  -7.293
  544    HD1  HIS  70           HD1      HIS  70 -20.340   0.477  -3.730
  545    HD2  HIS  70           HD2      HIS  70 -21.661   0.782  -7.672
  546    HE1  HIS  70           HE1      HIS  70 -22.833   0.907  -3.619
  547    H    SER  71           H        SER  71 -19.988  -3.039  -4.799
  548    HA   SER  71           HA       SER  71 -21.206  -3.859  -7.416
  549   1HB   SER  71          1HB       SER  71 -19.402  -5.365  -6.634
  550   2HB   SER  71          2HB       SER  71 -20.222  -5.548  -5.084
  551    HG   SER  71           HG       SER  71 -20.579  -7.185  -6.845
  552    H    LYS  72           H        LYS  72 -23.421  -3.952  -7.363
  553    HA   LYS  72           HA       LYS  72 -25.012  -3.028  -5.238
  554   1HB   LYS  72          1HB       LYS  72 -25.587  -5.006  -7.475
  555   2HB   LYS  72          2HB       LYS  72 -26.838  -4.215  -6.516
  556   1HG   LYS  72          1HG       LYS  72 -24.722  -2.662  -8.020
  557   2HG   LYS  72          2HG       LYS  72 -26.269  -3.097  -8.744
  558   1HD   LYS  72          1HD       LYS  72 -27.484  -1.829  -7.122
  559   2HD   LYS  72          2HD       LYS  72 -26.058  -1.634  -6.104
  560   1HE   LYS  72          1HE       LYS  72 -26.321  -0.499  -8.913
  561   2HE   LYS  72          2HE       LYS  72 -26.554   0.431  -7.423
  562   1HZ   LYS  72          1HZ       LYS  72 -24.101  -0.870  -8.433
  563   2HZ   LYS  72          2HZ       LYS  72 -24.291  -0.581  -6.770
  564   3HZ   LYS  72          3HZ       LYS  72 -24.305   0.717  -7.865
  565    H    ASP  73           H        ASP  73 -23.589  -6.184  -5.713
  566    HA   ASP  73           HA       ASP  73 -25.162  -7.255  -3.398
  567   1HB   ASP  73          1HB       ASP  73 -24.504  -9.457  -4.373
  568   2HB   ASP  73          2HB       ASP  73 -25.365  -8.459  -5.546
  569    HA   PRO  74           HA       PRO  74 -20.755  -6.536  -2.021
  570   1HB   PRO  74          1HB       PRO  74 -21.518  -5.553   0.468
  571   2HB   PRO  74          2HB       PRO  74 -21.169  -4.533  -0.938
  572   1HG   PRO  74          1HG       PRO  74 -23.782  -5.403   0.178
  573   2HG   PRO  74          2HG       PRO  74 -23.332  -3.869  -0.578
  574   1HD   PRO  74          1HD       PRO  74 -24.772  -5.795  -1.848
  575   2HD   PRO  74          2HD       PRO  74 -23.697  -4.665  -2.700
  576    H    ASN  75           H        ASN  75 -20.087  -8.564  -1.547
  577    HA   ASN  75           HA       ASN  75 -21.562 -10.097   0.557
  578   1HB   ASN  75          1HB       ASN  75 -19.621 -11.057  -1.572
  579   2HB   ASN  75          2HB       ASN  75 -20.700 -12.044  -0.604
  580   1HD2  ASN  75          1HD2      ASN  75 -20.790 -12.071  -3.481
  581   2HD2  ASN  75          2HD2      ASN  75 -22.279 -11.414  -3.965
  582    H    ALA  76           H        ALA  76 -19.183  -8.040   0.722
  583    HA   ALA  76           HA       ALA  76 -17.640  -9.657   2.675
  584   1HB   ALA  76          1HB       ALA  76 -16.734  -8.650   0.022
  585   2HB   ALA  76          2HB       ALA  76 -16.173 -10.048   0.939
  586   3HB   ALA  76          3HB       ALA  76 -15.602  -8.432   1.357
  587    H    ARG  77           H        ARG  77 -16.229  -8.241   4.021
  588    HA   ARG  77           HA       ARG  77 -16.832  -5.329   3.876
  589   1HB   ARG  77          1HB       ARG  77 -18.585  -6.319   5.260
  590   2HB   ARG  77          2HB       ARG  77 -17.388  -7.197   6.210
  591   1HG   ARG  77          1HG       ARG  77 -16.584  -5.222   7.230
  592   2HG   ARG  77          2HG       ARG  77 -17.310  -4.188   5.999
  593   1HD   ARG  77          1HD       ARG  77 -19.412  -4.292   6.967
  594   2HD   ARG  77          2HD       ARG  77 -19.146  -5.922   7.612
  595    HE   ARG  77           HE       ARG  77 -18.387  -3.415   8.916
  596   1HH1  ARG  77          1HH1      ARG  77 -17.695  -6.809   8.561
  597   2HH1  ARG  77          2HH1      ARG  77 -16.924  -6.925  10.105
  598   1HH2  ARG  77          1HH2      ARG  77 -17.382  -3.591  10.915
  599   2HH2  ARG  77          2HH2      ARG  77 -16.747  -5.119  11.429
  600    H    HIS  78           H        HIS  78 -15.330  -4.068   5.222
  601    HA   HIS  78           HA       HIS  78 -12.771  -5.541   5.724
  602   1HB   HIS  78          1HB       HIS  78 -11.783  -3.265   5.367
  603   2HB   HIS  78          2HB       HIS  78 -12.734  -3.805   3.983
  604    HD1  HIS  78           HD1      HIS  78 -14.809  -2.462   3.380
  605    HD2  HIS  78           HD2      HIS  78 -13.126  -1.265   7.001
  606    HE1  HIS  78           HE1      HIS  78 -16.013  -0.340   4.062
  607    H    GLU  79           H        GLU  79 -11.514  -4.839   7.616
  608    HA   GLU  79           HA       GLU  79 -13.064  -3.381   9.710
  609   1HB   GLU  79          1HB       GLU  79 -13.342  -5.921   9.790
  610   2HB   GLU  79          2HB       GLU  79 -11.619  -6.014  10.154
  611   1HG   GLU  79          1HG       GLU  79 -11.926  -4.672  12.164
  612   2HG   GLU  79          2HG       GLU  79 -13.627  -4.418  11.773
  613    H    LEU  80           H        LEU  80 -11.734  -2.173  11.084
  614    HA   LEU  80           HA       LEU  80  -8.819  -2.170  10.410
  615   1HB   LEU  80          1HB       LEU  80 -10.838  -0.163  11.408
  616   2HB   LEU  80          2HB       LEU  80  -9.115   0.135  11.630
  617    HG   LEU  80           HG       LEU  80 -10.020  -0.728   8.921
  618   1HD1  LEU  80          1HD1      LEU  80 -11.553   0.941   8.812
  619   2HD1  LEU  80          2HD1      LEU  80 -10.164   2.027   8.776
  620   3HD1  LEU  80          3HD1      LEU  80 -10.973   1.682  10.305
  621   1HD2  LEU  80          1HD2      LEU  80  -7.646  -0.347   9.406
  622   2HD2  LEU  80          2HD2      LEU  80  -8.010   1.280   9.979
  623   3HD2  LEU  80          3HD2      LEU  80  -8.232   0.876   8.277
  624    H    THR  81           H        THR  81  -7.297  -1.924  12.214
  625    HA   THR  81           HA       THR  81  -8.166  -3.430  14.605
  626    HB   THR  81           HB       THR  81  -5.695  -3.398  15.031
  627    HG1  THR  81           HG1      THR  81  -5.077  -1.480  14.188
  628   1HG2  THR  81          1HG2      THR  81  -6.081  -4.033  12.118
  629   2HG2  THR  81          2HG2      THR  81  -6.964  -4.954  13.335
  630   3HG2  THR  81          3HG2      THR  81  -5.200  -4.942  13.346
  631    H    ALA  82           H        ALA  82  -9.562  -1.342  15.105
  632    HA   ALA  82           HA       ALA  82  -9.880   0.572  16.459
  633   1HB   ALA  82          1HB       ALA  82  -8.211   0.520  18.435
  634   2HB   ALA  82          2HB       ALA  82  -7.511  -0.896  17.650
  635   3HB   ALA  82          3HB       ALA  82  -9.190  -0.927  18.190
  636    H    GLY  83           H        GLY  83  -8.223   0.908  14.038
  637   1HA   GLY  83          1HA       GLY  83  -7.285   3.546  14.394
  638   2HA   GLY  83          2HA       GLY  83  -5.895   2.482  14.603
  639    H    LEU  84           H        LEU  84  -5.772   4.170  12.487
  640    HA   LEU  84           HA       LEU  84  -6.768   2.753  10.077
  641   1HB   LEU  84          1HB       LEU  84  -5.257   5.345  10.563
  642   2HB   LEU  84          2HB       LEU  84  -5.806   4.802   8.978
  643    HG   LEU  84           HG       LEU  84  -7.664   5.161  11.341
  644   1HD1  LEU  84          1HD1      LEU  84  -7.819   7.089   9.123
  645   2HD1  LEU  84          2HD1      LEU  84  -6.336   7.212  10.070
  646   3HD1  LEU  84          3HD1      LEU  84  -7.904   7.368  10.862
  647   1HD2  LEU  84          1HD2      LEU  84  -9.263   5.366   9.268
  648   2HD2  LEU  84          2HD2      LEU  84  -8.737   3.768   9.798
  649   3HD2  LEU  84          3HD2      LEU  84  -7.960   4.539   8.415
  650    H    LYS  85           H        LYS  85  -4.657   1.548  11.806
  651    HA   LYS  85           HA       LYS  85  -2.193   1.834  10.237
  652   1HB   LYS  85          1HB       LYS  85  -3.031   0.476  12.740
  653   2HB   LYS  85          2HB       LYS  85  -1.441   0.187  12.053
  654   1HG   LYS  85          1HG       LYS  85  -1.541   2.891  11.921
  655   2HG   LYS  85          2HG       LYS  85  -2.552   2.622  13.329
  656   1HD   LYS  85          1HD       LYS  85  -0.812   1.529  14.515
  657   2HD   LYS  85          2HD       LYS  85   0.132   1.274  13.046
  658   1HE   LYS  85          1HE       LYS  85  -0.452   4.115  13.573
  659   2HE   LYS  85          2HE       LYS  85   0.546   3.346  14.823
  660   1HZ   LYS  85          1HZ       LYS  85   1.014   3.115  11.892
  661   2HZ   LYS  85          2HZ       LYS  85   1.998   2.481  13.123
  662   3HZ   LYS  85          3HZ       LYS  85   1.869   4.162  12.919
  663    H    ARG  86           H        ARG  86  -3.762  -1.091  11.537
  664    HA   ARG  86           HA       ARG  86  -2.987  -2.554   9.064
  665   1HB   ARG  86          1HB       ARG  86  -3.040  -3.062  11.852
  666   2HB   ARG  86          2HB       ARG  86  -4.262  -4.118  11.144
  667   1HG   ARG  86          1HG       ARG  86  -2.183  -4.360   9.353
  668   2HG   ARG  86          2HG       ARG  86  -1.331  -4.207  10.890
  669   1HD   ARG  86          1HD       ARG  86  -3.302  -5.954  11.601
  670   2HD   ARG  86          2HD       ARG  86  -3.053  -6.411   9.905
  671    HE   ARG  86           HE       ARG  86  -0.925  -7.221  10.528
  672   1HH1  ARG  86          1HH1      ARG  86  -2.064  -4.887  12.846
  673   2HH1  ARG  86          2HH1      ARG  86  -0.703  -5.097  13.891
  674   1HH2  ARG  86          1HH2      ARG  86   0.832  -7.476  11.903
  675   2HH2  ARG  86          2HH2      ARG  86   0.925  -6.551  13.364
  676    H    MET  87           H        MET  87  -4.596  -3.992   8.047
  677    HA   MET  87           HA       MET  87  -7.449  -3.310   8.611
  678   1HB   MET  87          1HB       MET  87  -5.823  -2.309   6.493
  679   2HB   MET  87          2HB       MET  87  -6.961  -3.448   5.773
  680   1HG   MET  87          1HG       MET  87  -7.811  -1.278   7.705
  681   2HG   MET  87          2HG       MET  87  -7.791  -1.046   5.958
  682   1HE   MET  87          1HE       MET  87 -10.254  -2.470   4.352
  683   2HE   MET  87          2HE       MET  87  -9.480  -4.018   4.692
  684   3HE   MET  87          3HE       MET  87  -8.496  -2.577   4.442
  685    H    ARG  88           H        ARG  88  -8.810  -5.070   8.313
  686    HA   ARG  88           HA       ARG  88  -7.604  -7.534   7.092
  687   1HB   ARG  88          1HB       ARG  88  -9.576  -7.199   9.385
  688   2HB   ARG  88          2HB       ARG  88  -8.998  -8.746   8.769
  689   1HG   ARG  88          1HG       ARG  88  -6.920  -8.500   9.718
  690   2HG   ARG  88          2HG       ARG  88  -6.921  -6.748   9.517
  691   1HD   ARG  88          1HD       ARG  88  -7.519  -6.543  11.694
  692   2HD   ARG  88          2HD       ARG  88  -9.031  -7.397  11.333
  693    HE   ARG  88           HE       ARG  88  -8.055  -9.371  12.206
  694   1HH1  ARG  88          1HH1      ARG  88  -5.619  -6.985  11.504
  695   2HH1  ARG  88          2HH1      ARG  88  -4.346  -7.916  12.214
  696   1HH2  ARG  88          1HH2      ARG  88  -6.384 -10.560  13.122
  697   2HH2  ARG  88          2HH2      ARG  88  -4.773  -9.924  13.123
  698    H    ILE  89           H        ILE  89  -9.421  -9.079   6.331
  699    HA   ILE  89           HA       ILE  89 -11.768  -7.536   5.285
  700    HB   ILE  89           HB       ILE  89  -9.955  -9.495   3.826
  701   1HG1  ILE  89          1HG1      ILE  89 -10.417  -6.553   3.278
  702   2HG1  ILE  89          2HG1      ILE  89  -9.091  -7.139   4.282
  703   1HG2  ILE  89          1HG2      ILE  89 -12.497  -9.408   3.269
  704   2HG2  ILE  89          2HG2      ILE  89 -11.347  -9.260   1.940
  705   3HG2  ILE  89          3HG2      ILE  89 -12.136  -7.822   2.589
  706   1HD1  ILE  89          1HD1      ILE  89  -8.132  -8.361   2.458
  707   2HD1  ILE  89          2HD1      ILE  89  -8.524  -6.762   1.825
  708   3HD1  ILE  89          3HD1      ILE  89  -9.571  -8.135   1.464
  709    H    PHE  90           H        PHE  90 -13.636  -8.549   5.865
  710    HA   PHE  90           HA       PHE  90 -13.533 -11.481   6.486
  711   1HB   PHE  90          1HB       PHE  90 -14.963  -9.077   7.580
  712   2HB   PHE  90          2HB       PHE  90 -15.743 -10.651   7.730
  713    HD1  PHE  90           HD1      PHE  90 -13.277  -8.435   9.090
  714    HD2  PHE  90           HD2      PHE  90 -14.347 -12.580   8.740
  715    HE1  PHE  90           HE1      PHE  90 -11.817  -8.974  11.021
  716    HE2  PHE  90           HE2      PHE  90 -12.887 -13.119  10.671
  717    HZ   PHE  90           HZ       PHE  90 -11.622 -11.316  11.811
  718    H    THR  91           H        THR  91 -16.036 -12.292   6.325
  719    HA   THR  91           HA       THR  91 -17.063 -11.408   3.646
  720    HB   THR  91           HB       THR  91 -17.720 -13.888   3.472
  721    HG1  THR  91           HG1      THR  91 -16.645 -15.261   4.873
  722   1HG2  THR  91          1HG2      THR  91 -15.414 -12.559   2.782
  723   2HG2  THR  91          2HG2      THR  91 -15.798 -14.212   2.303
  724   3HG2  THR  91          3HG2      THR  91 -14.784 -13.916   3.715
  725    H    ILE  92           H        ILE  92 -18.748 -10.108   4.518
  726    HA   ILE  92           HA       ILE  92 -20.406 -10.623   6.717
  727    HB   ILE  92           HB       ILE  92 -22.005  -9.157   5.493
  728   1HG1  ILE  92          1HG1      ILE  92 -20.146  -9.641   3.146
  729   2HG1  ILE  92          2HG1      ILE  92 -21.789 -10.264   3.290
  730   1HG2  ILE  92          1HG2      ILE  92 -19.193  -8.634   5.927
  731   2HG2  ILE  92          2HG2      ILE  92 -20.566  -7.547   6.135
  732   3HG2  ILE  92          3HG2      ILE  92 -19.784  -7.687   4.561
  733   1HD1  ILE  92          1HD1      ILE  92 -20.993  -7.755   2.253
  734   2HD1  ILE  92          2HD1      ILE  92 -21.771  -7.422   3.800
  735   3HD1  ILE  92          3HD1      ILE  92 -22.639  -8.313   2.550
  736    H    LYS  93           H        LYS  93 -20.387 -12.208   3.595
  737    HA   LYS  93           HA       LYS  93 -22.521 -14.028   4.582
  738   1HB   LYS  93          1HB       LYS  93 -23.816 -13.716   2.541
  739   2HB   LYS  93          2HB       LYS  93 -23.511 -12.130   3.243
  740   1HG   LYS  93          1HG       LYS  93 -21.725 -11.700   1.675
  741   2HG   LYS  93          2HG       LYS  93 -21.802 -13.353   1.063
  742   1HD   LYS  93          1HD       LYS  93 -23.041 -12.139  -0.530
  743   2HD   LYS  93          2HD       LYS  93 -24.289 -12.794   0.528
  744   1HE   LYS  93          1HE       LYS  93 -23.257 -10.231   1.504
  745   2HE   LYS  93          2HE       LYS  93 -23.984 -10.103  -0.109
  746   1HZ   LYS  93          1HZ       LYS  93 -25.532 -10.017   1.928
  747   2HZ   LYS  93          2HZ       LYS  93 -25.272 -11.692   2.027
  748   3HZ   LYS  93          3HZ       LYS  93 -25.974 -11.022   0.633
  749    HA   PRO  94           HA       PRO  94 -20.057 -17.200   2.854
  750   1HB   PRO  94          1HB       PRO  94 -22.434 -18.410   1.648
  751   2HB   PRO  94          2HB       PRO  94 -21.350 -19.078   2.867
  752   1HG   PRO  94          1HG       PRO  94 -23.844 -18.235   3.455
  753   2HG   PRO  94          2HG       PRO  94 -22.516 -18.142   4.600
  754   1HD   PRO  94          1HD       PRO  94 -23.809 -15.997   3.010
  755   2HD   PRO  94          2HD       PRO  94 -23.066 -15.932   4.621
  756    H    ILE  95           H        ILE  95 -19.042 -17.762   0.923
  757    HA   ILE  95           HA       ILE  95 -20.194 -16.557  -1.574
  758    HB   ILE  95           HB       ILE  95 -17.340 -16.467  -0.524
  759   1HG1  ILE  95          1HG1      ILE  95 -19.166 -14.132  -1.091
  760   2HG1  ILE  95          2HG1      ILE  95 -19.171 -14.936   0.478
  761   1HG2  ILE  95          1HG2      ILE  95 -18.518 -16.041  -3.188
  762   2HG2  ILE  95          2HG2      ILE  95 -16.836 -16.316  -2.734
  763   3HG2  ILE  95          3HG2      ILE  95 -17.525 -14.696  -2.627
  764   1HD1  ILE  95          1HD1      ILE  95 -16.604 -14.611   0.431
  765   2HD1  ILE  95          2HD1      ILE  95 -17.600 -13.188   0.741
  766   3HD1  ILE  95          3HD1      ILE  95 -16.912 -13.451  -0.862
  767    H    ALA  96           H        ALA  96 -19.810 -17.776  -3.458
  768    HA   ALA  96           HA       ALA  96 -18.771 -20.533  -3.004
  769   1HB   ALA  96          1HB       ALA  96 -20.005 -20.963  -5.123
  770   2HB   ALA  96          2HB       ALA  96 -20.366 -19.241  -5.250
  771   3HB   ALA  96          3HB       ALA  96 -21.042 -20.189  -3.925
  772    H    ILE  97           H        ILE  97 -17.401 -21.469  -4.756
  773    HA   ILE  97           HA       ILE  97 -15.165 -19.786  -5.423
  774    HB   ILE  97           HB       ILE  97 -16.095 -22.474  -6.504
  775   1HG1  ILE  97          1HG1      ILE  97 -13.905 -22.541  -4.619
  776   2HG1  ILE  97          2HG1      ILE  97 -15.287 -21.708  -3.909
  777   1HG2  ILE  97          1HG2      ILE  97 -13.993 -20.827  -7.373
  778   2HG2  ILE  97          2HG2      ILE  97 -14.202 -22.542  -7.728
  779   3HG2  ILE  97          3HG2      ILE  97 -13.227 -22.039  -6.346
  780   1HD1  ILE  97          1HD1      ILE  97 -15.651 -24.312  -5.385
  781   2HD1  ILE  97          2HD1      ILE  97 -16.702 -23.574  -4.176
  782   3HD1  ILE  97          3HD1      ILE  97 -15.170 -24.298  -3.688
  783    H    GLY  98           H        GLY  98 -15.341 -18.158  -6.923
  784   1HA   GLY  98          1HA       GLY  98 -15.351 -17.824  -9.416
  785   2HA   GLY  98          2HA       GLY  98 -16.837 -18.771  -9.442
  786    H    GLU  99           H        GLU  99 -16.269 -16.464  -6.868
  787    HA   GLU  99           HA       GLU  99 -18.412 -14.732  -8.060
  788   1HB   GLU  99          1HB       GLU  99 -17.609 -15.443  -5.224
  789   2HB   GLU  99          2HB       GLU  99 -18.752 -14.152  -5.588
  790   1HG   GLU  99          1HG       GLU  99 -19.179 -16.856  -6.812
  791   2HG   GLU  99          2HG       GLU  99 -19.624 -16.604  -5.124
  792    H    GLU 100           H        GLU 100 -18.190 -12.394  -6.918
  793    HA   GLU 100           HA       GLU 100 -15.310 -11.606  -7.199
  794   1HB   GLU 100          1HB       GLU 100 -16.775 -10.793  -9.007
  795   2HB   GLU 100          2HB       GLU 100 -17.881 -10.101  -7.819
  796   1HG   GLU 100          1HG       GLU 100 -16.185  -8.539  -7.063
  797   2HG   GLU 100          2HG       GLU 100 -14.963  -9.311  -8.072
  798    H    ILE 101           H        ILE 101 -14.412 -10.476  -5.539
  799    HA   ILE 101           HA       ILE 101 -16.116  -9.917  -3.166
  800    HB   ILE 101           HB       ILE 101 -13.100 -10.001  -3.529
  801   1HG1  ILE 101          1HG1      ILE 101 -15.054 -12.085  -2.532
  802   2HG1  ILE 101          2HG1      ILE 101 -14.099 -12.166  -4.002
  803   1HG2  ILE 101          1HG2      ILE 101 -14.887  -9.938  -1.088
  804   2HG2  ILE 101          2HG2      ILE 101 -13.730  -8.701  -1.581
  805   3HG2  ILE 101          3HG2      ILE 101 -13.159 -10.279  -1.037
  806   1HD1  ILE 101          1HD1      ILE 101 -12.025 -12.188  -2.716
  807   2HD1  ILE 101          2HD1      ILE 101 -13.079 -13.482  -2.146
  808   3HD1  ILE 101          3HD1      ILE 101 -12.929 -11.993  -1.214
  809    H    THR 102           H        THR 102 -16.674  -7.885  -2.725
  810    HA   THR 102           HA       THR 102 -14.919  -5.593  -3.357
  811    HB   THR 102           HB       THR 102 -16.942  -4.545  -4.559
  812    HG1  THR 102           HG1      THR 102 -18.223  -6.394  -5.498
  813   1HG2  THR 102          1HG2      THR 102 -15.772  -7.011  -5.874
  814   2HG2  THR 102          2HG2      THR 102 -14.887  -5.498  -5.684
  815   3HG2  THR 102          3HG2      THR 102 -16.347  -5.548  -6.672
  816    H    ILE 103           H        ILE 103 -16.070  -3.520  -2.468
  817    HA   ILE 103           HA       ILE 103 -18.067  -4.133  -0.349
  818    HB   ILE 103           HB       ILE 103 -16.617  -3.117   1.360
  819   1HG1  ILE 103          1HG1      ILE 103 -14.107  -3.022   0.061
  820   2HG1  ILE 103          2HG1      ILE 103 -15.232  -2.154  -0.981
  821   1HG2  ILE 103          1HG2      ILE 103 -14.958  -4.866   1.512
  822   2HG2  ILE 103          2HG2      ILE 103 -15.020  -5.144  -0.229
  823   3HG2  ILE 103          3HG2      ILE 103 -16.403  -5.566   0.782
  824   1HD1  ILE 103          1HD1      ILE 103 -14.119  -1.353   1.577
  825   2HD1  ILE 103          2HD1      ILE 103 -15.881  -1.340   1.627
  826   3HD1  ILE 103          3HD1      ILE 103 -15.027  -0.392   0.410
  827    H    SER 104           H        SER 104 -18.916  -2.076   0.637
  828    HA   SER 104           HA       SER 104 -19.231  -0.012  -1.455
  829   1HB   SER 104          1HB       SER 104 -20.913  -1.199   0.297
  830   2HB   SER 104          2HB       SER 104 -20.450   0.201   1.264
  831    HG   SER 104           HG       SER 104 -22.223   0.726   0.001
  832    H    TYR 105           H        TYR 105 -19.630   2.265   0.083
  833    HA   TYR 105           HA       TYR 105 -16.941   2.725   1.340
  834   1HB   TYR 105          1HB       TYR 105 -18.655   4.651  -0.275
  835   2HB   TYR 105          2HB       TYR 105 -17.017   4.944   0.305
  836    HD1  TYR 105           HD1      TYR 105 -15.714   2.339  -0.259
  837    HD2  TYR 105           HD2      TYR 105 -18.460   4.649  -2.622
  838    HE1  TYR 105           HE1      TYR 105 -14.804   1.311  -2.325
  839    HE2  TYR 105           HE2      TYR 105 -17.549   3.621  -4.686
  840    HH   TYR 105           HH       TYR 105 -14.680   1.655  -4.646
  841    H    GLY 106           H        GLY 106 -20.046   4.501   1.070
  842   1HA   GLY 106          1HA       GLY 106 -20.926   4.198   3.723
  843   2HA   GLY 106          2HA       GLY 106 -19.841   5.588   3.726
  844    H    ASP 107           H        ASP 107 -22.736   5.619   4.186
  845    HA   ASP 107           HA       ASP 107 -24.330   6.388   2.012
  846   1HB   ASP 107          1HB       ASP 107 -25.575   7.669   3.739
  847   2HB   ASP 107          2HB       ASP 107 -25.058   6.104   4.366
  848    H    ASP 108           H        ASP 108 -21.673   8.108   3.494
  849    HA   ASP 108           HA       ASP 108 -22.355  10.688   2.246
  850   1HB   ASP 108          1HB       ASP 108 -20.608   9.594   4.290
  851   2HB   ASP 108          2HB       ASP 108 -19.686  10.625   3.195
  852    H    TYR 109           H        TYR 109 -19.611   8.384   1.987
  853    HA   TYR 109           HA       TYR 109 -18.556   9.594  -0.414
  854   1HB   TYR 109          1HB       TYR 109 -17.611   7.968   1.495
  855   2HB   TYR 109          2HB       TYR 109 -18.073   6.730   0.329
  856    HD1  TYR 109           HD1      TYR 109 -16.426   6.067  -1.169
  857    HD2  TYR 109           HD2      TYR 109 -16.410  10.103   0.301
  858    HE1  TYR 109           HE1      TYR 109 -14.376   6.536  -2.481
  859    HE2  TYR 109           HE2      TYR 109 -14.358  10.572  -1.012
  860    HH   TYR 109           HH       TYR 109 -12.335   8.627  -2.011
  861    H    TRP 110           H        TRP 110 -21.056   9.422  -1.256
  862    HA   TRP 110           HA       TRP 110 -21.025   7.753  -3.560
  863   1HB   TRP 110          1HB       TRP 110 -21.775   6.475  -1.069
  864   2HB   TRP 110          2HB       TRP 110 -23.140   6.452  -2.187
  865    HD1  TRP 110           HD1      TRP 110 -20.835   4.091  -1.293
  866    HE1  TRP 110           HE1      TRP 110 -19.900   2.688  -3.244
  867    HE3  TRP 110           HE3      TRP 110 -22.076   7.107  -5.224
  868    HZ2  TRP 110           HZ2      TRP 110 -19.705   2.828  -6.095
  869    HZ3  TRP 110           HZ3      TRP 110 -21.504   6.448  -7.543
  870    HH2  TRP 110           HH2      TRP 110 -20.321   4.314  -7.984
  871    H    LEU 111           H        LEU 111 -23.758   7.256  -3.916
  872    HA   LEU 111           HA       LEU 111 -24.787   9.801  -4.653
  873   1HB   LEU 111          1HB       LEU 111 -25.479   7.033  -4.781
  874   2HB   LEU 111          2HB       LEU 111 -26.885   7.891  -4.151
  875    HG   LEU 111           HG       LEU 111 -25.497   9.186  -6.432
  876   1HD1  LEU 111          1HD1      LEU 111 -26.011   7.644  -8.060
  877   2HD1  LEU 111          2HD1      LEU 111 -27.387   7.001  -7.163
  878   3HD1  LEU 111          3HD1      LEU 111 -25.747   6.523  -6.723
  879   1HD2  LEU 111          1HD2      LEU 111 -28.031   9.273  -7.095
  880   2HD2  LEU 111          2HD2      LEU 111 -27.462  10.267  -5.754
  881   3HD2  LEU 111          3HD2      LEU 111 -28.301   8.749  -5.433
  882    H    SER 112           H        SER 112 -27.407   9.895  -3.689
  883    HA   SER 112           HA       SER 112 -27.023  10.387  -0.752
  884   1HB   SER 112          1HB       SER 112 -28.115  12.468  -1.039
  885   2HB   SER 112          2HB       SER 112 -27.123  12.342  -2.493
  886    HG   SER 112           HG       SER 112 -29.395  12.910  -2.807
  887    H    ARG 113           H        ARG 113 -28.643   9.567   0.560
  888    HA   ARG 113           HA       ARG 113 -30.540   8.281   1.148
  889   1HB   ARG 113          1HB       ARG 113 -31.280  10.294  -0.912
  890   2HB   ARG 113          2HB       ARG 113 -32.462   9.012  -0.647
  891   1HG   ARG 113          1HG       ARG 113 -32.681   9.550   1.661
  892   2HG   ARG 113          2HG       ARG 113 -31.227  10.547   1.645
  893   1HD   ARG 113          1HD       ARG 113 -32.613  11.890  -0.212
  894   2HD   ARG 113          2HD       ARG 113 -33.982  11.200   0.681
  895    HE   ARG 113           HE       ARG 113 -32.311  12.102   2.685
  896   1HH1  ARG 113          1HH1      ARG 113 -33.671  13.553  -0.171
  897   2HH1  ARG 113          2HH1      ARG 113 -33.707  15.139   0.518
  898   1HH2  ARG 113          1HH2      ARG 113 -32.368  14.168   3.558
  899   2HH2  ARG 113          2HH2      ARG 113 -32.976  15.487   2.613
  900    HA   PRO 114           HA       PRO 114 -29.742   5.517  -2.604
  901   1HB   PRO 114          1HB       PRO 114 -28.171   3.654  -1.304
  902   2HB   PRO 114          2HB       PRO 114 -27.510   5.034  -2.200
  903   1HG   PRO 114          1HG       PRO 114 -27.886   4.672   0.727
  904   2HG   PRO 114          2HG       PRO 114 -26.584   5.486  -0.151
  905   1HD   PRO 114          1HD       PRO 114 -28.622   6.796   1.116
  906   2HD   PRO 114          2HD       PRO 114 -27.740   7.457  -0.277
  907    H    ARG 115           H        ARG 115 -31.267   3.936  -2.880
  908    HA   ARG 115           HA       ARG 115 -32.317   2.576  -0.430
  909   1HB   ARG 115          1HB       ARG 115 -33.902   3.544  -2.814
  910   2HB   ARG 115          2HB       ARG 115 -34.539   2.908  -1.303
  911   1HG   ARG 115          1HG       ARG 115 -33.008   5.494  -1.674
  912   2HG   ARG 115          2HG       ARG 115 -34.697   5.311  -1.242
  913   1HD   ARG 115          1HD       ARG 115 -33.256   3.812   0.675
  914   2HD   ARG 115          2HD       ARG 115 -32.425   5.366   0.515
  915    HE   ARG 115           HE       ARG 115 -35.222   5.875   0.532
  916   1HH1  ARG 115          1HH1      ARG 115 -32.730   4.675   2.645
  917   2HH1  ARG 115          2HH1      ARG 115 -33.527   5.226   4.077
  918   1HH2  ARG 115          1HH2      ARG 115 -36.236   6.581   2.404
  919   2HH2  ARG 115          2HH2      ARG 115 -35.497   6.297   3.944
  920    H    LEU 116           H        LEU 116 -30.520   1.062  -1.562
  921    HA   LEU 116           HA       LEU 116 -31.332  -0.355  -3.960
  922   1HB   LEU 116          1HB       LEU 116 -29.075  -0.052  -2.317
  923   2HB   LEU 116          2HB       LEU 116 -29.504  -1.756  -2.168
  924    HG   LEU 116           HG       LEU 116 -27.961  -1.386  -4.066
  925   1HD1  LEU 116          1HD1      LEU 116 -29.656  -3.189  -4.193
  926   2HD1  LEU 116          2HD1      LEU 116 -29.313  -2.516  -5.786
  927   3HD1  LEU 116          3HD1      LEU 116 -30.789  -2.060  -4.936
  928   1HD2  LEU 116          1HD2      LEU 116 -29.623   0.894  -4.459
  929   2HD2  LEU 116          2HD2      LEU 116 -29.779  -0.124  -5.891
  930   3HD2  LEU 116          3HD2      LEU 116 -28.187   0.432  -5.373
  931    H    THR 117           H        THR 117 -31.509  -1.074  -0.463
  932    HA   THR 117           HA       THR 117 -33.545  -3.170  -1.099
  933    HB   THR 117           HB       THR 117 -31.365  -3.527   0.970
  934    HG1  THR 117           HG1      THR 117 -30.273  -3.250  -0.932
  935   1HG2  THR 117          1HG2      THR 117 -32.082  -5.944  -0.267
  936   2HG2  THR 117          2HG2      THR 117 -33.599  -5.066  -0.068
  937   3HG2  THR 117          3HG2      THR 117 -32.579  -5.393   1.333
  938    H    GLN 118           H        GLN 118 -34.866  -3.728   0.837
  939    HA   GLN 118           HA       GLN 118 -35.628  -1.362   2.340
  940   1HB   GLN 118          1HB       GLN 118 -36.480  -4.166   1.910
  941   2HB   GLN 118          2HB       GLN 118 -36.902  -3.510   3.492
  942   1HG   GLN 118          1HG       GLN 118 -37.498  -2.119   0.865
  943   2HG   GLN 118          2HG       GLN 118 -38.661  -3.115   1.740
  944   1HE2  GLN 118          1HE2      GLN 118 -38.490  -2.397   4.336
  945   2HE2  GLN 118          2HE2      GLN 118 -38.703  -0.727   4.555
  946    H    ASN 119           H        ASN 119 -33.131  -1.403   3.139
  947    HA   ASN 119           HA       ASN 119 -32.868  -3.086   5.585
  948   1HB   ASN 119          1HB       ASN 119 -31.085  -2.910   3.788
  949   2HB   ASN 119          2HB       ASN 119 -30.890  -1.215   4.234
  950   1HD2  ASN 119          1HD2      ASN 119 -28.749  -1.450   5.135
  951   2HD2  ASN 119          2HD2      ASN 119 -28.450  -2.346   6.545
  952   1H    GLY 201          1H        GLY 201 -29.948  41.943  -4.222
  953   2H    GLY 201          2H        GLY 201 -30.232  42.533  -5.788
  954   3H    GLY 201          3H        GLY 201 -28.644  42.426  -5.196
  955   1HA   GLY 201          1HA       GLY 201 -30.299  40.000  -5.373
  956   2HA   GLY 201          2HA       GLY 201 -29.502  40.628  -6.815
  957    H    LYS 202           H        LYS 202 -28.371  40.671  -3.434
  958    HA   LYS 202           HA       LYS 202 -25.907  39.244  -4.359
  959   1HB   LYS 202          1HB       LYS 202 -25.673  41.529  -3.429
  960   2HB   LYS 202          2HB       LYS 202 -26.482  41.012  -1.950
  961   1HG   LYS 202          1HG       LYS 202 -24.257  39.256  -2.659
  962   2HG   LYS 202          2HG       LYS 202 -23.738  40.925  -2.426
  963   1HD   LYS 202          1HD       LYS 202 -25.667  40.013  -0.407
  964   2HD   LYS 202          2HD       LYS 202 -24.161  39.096  -0.399
  965   1HE   LYS 202          1HE       LYS 202 -22.872  41.204  -0.242
  966   2HE   LYS 202          2HE       LYS 202 -24.387  42.127  -0.251
  967   1HZ   LYS 202          1HZ       LYS 202 -23.843  39.928   1.669
  968   2HZ   LYS 202          2HZ       LYS 202 -25.085  41.083   1.737
  969   3HZ   LYS 202          3HZ       LYS 202 -23.476  41.549   2.016
  970    H    ALA 203           H        ALA 203 -26.445  37.060  -4.029
  971    HA   ALA 203           HA       ALA 203 -26.668  36.191  -1.216
  972   1HB   ALA 203          1HB       ALA 203 -28.744  34.815  -1.938
  973   2HB   ALA 203          2HB       ALA 203 -28.821  35.900  -3.326
  974   3HB   ALA 203          3HB       ALA 203 -28.980  36.546  -1.693
  975    HA   PRO 204           HA       PRO 204 -24.504  33.437  -4.397
  976   1HB   PRO 204          1HB       PRO 204 -22.012  33.558  -3.182
  977   2HB   PRO 204          2HB       PRO 204 -22.513  34.595  -4.530
  978   1HG   PRO 204          1HG       PRO 204 -22.387  35.189  -1.620
  979   2HG   PRO 204          2HG       PRO 204 -22.042  36.237  -3.002
  980   1HD   PRO 204          1HD       PRO 204 -24.343  36.372  -1.554
  981   2HD   PRO 204          2HD       PRO 204 -24.243  36.816  -3.271
  982    H    ARG 205           H        ARG 205 -23.812  31.247  -3.895
  983    HA   ARG 205           HA       ARG 205 -23.746  30.453  -1.035
  984   1HB   ARG 205          1HB       ARG 205 -25.575  28.788  -1.500
  985   2HB   ARG 205          2HB       ARG 205 -26.117  30.459  -1.653
  986   1HG   ARG 205          1HG       ARG 205 -25.037  29.531  -4.170
  987   2HG   ARG 205          2HG       ARG 205 -26.292  28.428  -3.605
  988   1HD   ARG 205          1HD       ARG 205 -27.085  31.197  -3.180
  989   2HD   ARG 205          2HD       ARG 205 -26.715  30.887  -4.887
  990    HE   ARG 205           HE       ARG 205 -28.203  28.674  -3.870
  991   1HH1  ARG 205          1HH1      ARG 205 -28.593  32.051  -4.622
  992   2HH1  ARG 205          2HH1      ARG 205 -30.280  31.891  -4.970
  993   1HH2  ARG 205          1HH2      ARG 205 -30.394  28.493  -4.327
  994   2HH2  ARG 205          2HH2      ARG 205 -31.293  29.894  -4.805
  995    H    LYS 206           H        LYS 206 -22.010  30.383  -3.597
  996    HA   LYS 206           HA       LYS 206 -21.460  27.431  -3.554
  997   1HB   LYS 206          1HB       LYS 206 -22.281  28.941  -5.661
  998   2HB   LYS 206          2HB       LYS 206 -20.535  29.142  -5.810
  999   1HG   LYS 206          1HG       LYS 206 -20.661  26.471  -5.357
 1000   2HG   LYS 206          2HG       LYS 206 -22.202  26.713  -6.181
 1001   1HD   LYS 206          1HD       LYS 206 -19.602  27.819  -7.261
 1002   2HD   LYS 206          2HD       LYS 206 -20.188  26.210  -7.682
 1003   1HE   LYS 206          1HE       LYS 206 -22.255  28.289  -7.938
 1004   2HE   LYS 206          2HE       LYS 206 -20.874  28.526  -9.026
 1005   1HZ   LYS 206          1HZ       LYS 206 -21.038  26.133  -9.588
 1006   2HZ   LYS 206          2HZ       LYS 206 -22.414  27.013 -10.056
 1007   3HZ   LYS 206          3HZ       LYS 206 -22.463  26.035  -8.669
 1008    H    GLN 207           H        GLN 207 -20.337  29.401  -1.695
 1009    HA   GLN 207           HA       GLN 207 -17.482  29.460  -2.612
 1010   1HB   GLN 207          1HB       GLN 207 -19.310  31.333  -1.286
 1011   2HB   GLN 207          2HB       GLN 207 -17.782  31.162  -0.422
 1012   1HG   GLN 207          1HG       GLN 207 -17.509  32.931  -2.046
 1013   2HG   GLN 207          2HG       GLN 207 -16.595  31.536  -2.619
 1014   1HE2  GLN 207          1HE2      GLN 207 -17.034  30.909  -4.742
 1015   2HE2  GLN 207          2HE2      GLN 207 -18.431  31.328  -5.609
 1016    H    LEU 208           H        LEU 208 -19.613  28.843   0.187
 1017    HA   LEU 208           HA       LEU 208 -17.511  27.016   1.272
 1018   1HB   LEU 208          1HB       LEU 208 -17.878  29.558   2.192
 1019   2HB   LEU 208          2HB       LEU 208 -19.032  28.689   3.204
 1020    HG   LEU 208           HG       LEU 208 -16.433  27.333   2.935
 1021   1HD1  LEU 208          1HD1      LEU 208 -16.641  30.037   4.292
 1022   2HD1  LEU 208          2HD1      LEU 208 -15.592  29.620   2.937
 1023   3HD1  LEU 208          3HD1      LEU 208 -15.308  28.906   4.524
 1024   1HD2  LEU 208          1HD2      LEU 208 -17.252  26.437   4.830
 1025   2HD2  LEU 208          2HD2      LEU 208 -18.635  27.527   4.739
 1026   3HD2  LEU 208          3HD2      LEU 208 -17.183  28.015   5.613
 1027    H    ALA 209           H        ALA 209 -20.164  26.618  -0.092
 1028    HA   ALA 209           HA       ALA 209 -21.750  25.426   2.147
 1029   1HB   ALA 209          1HB       ALA 209 -22.790  27.087   0.583
 1030   2HB   ALA 209          2HB       ALA 209 -23.584  25.514   0.510
 1031   3HB   ALA 209          3HB       ALA 209 -22.455  25.991  -0.758
 1032    H    THR 210           H        THR 210 -19.307  24.161   1.052
 1033    HA   THR 210           HA       THR 210 -20.556  21.684  -0.094
 1034    HB   THR 210           HB       THR 210 -18.461  21.468  -1.399
 1035    HG1  THR 210           HG1      THR 210 -16.846  22.448  -0.488
 1036   1HG2  THR 210          1HG2      THR 210 -20.504  23.136  -1.946
 1037   2HG2  THR 210          2HG2      THR 210 -19.111  22.969  -3.014
 1038   3HG2  THR 210          3HG2      THR 210 -19.194  24.315  -1.876
 1039    H    LYS 211           H        LYS 211 -19.082  19.724   0.319
 1040    HA   LYS 211           HA       LYS 211 -17.534  19.987   2.863
 1041   1HB   LYS 211          1HB       LYS 211 -18.763  17.949   3.661
 1042   2HB   LYS 211          2HB       LYS 211 -19.836  19.325   3.404
 1043   1HG   LYS 211          1HG       LYS 211 -20.465  18.444   1.198
 1044   2HG   LYS 211          2HG       LYS 211 -19.355  17.090   1.409
 1045   1HD   LYS 211          1HD       LYS 211 -21.099  15.982   2.330
 1046   2HD   LYS 211          2HD       LYS 211 -20.894  17.040   3.726
 1047   1HE   LYS 211          1HE       LYS 211 -22.657  18.433   3.095
 1048   2HE   LYS 211          2HE       LYS 211 -22.491  18.029   1.376
 1049   1HZ   LYS 211          1HZ       LYS 211 -23.283  15.823   1.808
 1050   2HZ   LYS 211          2HZ       LYS 211 -24.403  16.912   2.473
 1051   3HZ   LYS 211          3HZ       LYS 211 -23.310  16.096   3.484
 1052    H    ALA 212           H        ALA 212 -16.117  18.080   3.228
 1053    HA   ALA 212           HA       ALA 212 -15.470  16.628   0.681
 1054   1HB   ALA 212          1HB       ALA 212 -13.176  16.891   2.353
 1055   2HB   ALA 212          2HB       ALA 212 -13.965  18.468   2.316
 1056   3HB   ALA 212          3HB       ALA 212 -13.473  17.692   0.811
 1057    H    ALA 213           H        ALA 213 -16.858  14.877   1.617
 1058    HA   ALA 213           HA       ALA 213 -15.754  13.528   4.026
 1059   1HB   ALA 213          1HB       ALA 213 -17.934  12.951   4.298
 1060   2HB   ALA 213          2HB       ALA 213 -18.005  12.257   2.678
 1061   3HB   ALA 213          3HB       ALA 213 -18.300  13.979   2.913
 1062    H    ARG 214           H        ARG 214 -14.951  11.378   3.929
 1063    HA   ARG 214           HA       ARG 214 -14.266  10.420   1.173
 1064   1HB   ARG 214          1HB       ARG 214 -12.961   9.966   3.882
 1065   2HB   ARG 214          2HB       ARG 214 -12.349   9.351   2.348
 1066   1HG   ARG 214          1HG       ARG 214 -12.749  12.069   1.869
 1067   2HG   ARG 214          2HG       ARG 214 -12.094  12.019   3.505
 1068   1HD   ARG 214          1HD       ARG 214 -10.175  10.703   2.739
 1069   2HD   ARG 214          2HD       ARG 214 -10.856  10.622   1.103
 1070    HE   ARG 214           HE       ARG 214  -9.526  12.931   2.282
 1071   1HH1  ARG 214          1HH1      ARG 214 -12.003  11.892   0.068
 1072   2HH1  ARG 214          2HH1      ARG 214 -11.924  13.341  -0.873
 1073   1HH2  ARG 214          1HH2      ARG 214  -9.442  14.803   1.044
 1074   2HH2  ARG 214          2HH2      ARG 214 -10.486  14.977  -0.327
 1075   1HN   MLZ 215          1HN       MLZ 215 -13.485   7.813   1.960
 1076    HA   MLZ 215           HA       MLZ 215 -15.956   6.389   1.873
 1077   1HB   MLZ 215          1HB       MLZ 215 -13.089   5.708   2.569
 1078   2HB   MLZ 215          2HB       MLZ 215 -14.346   4.471   2.540
 1079   1HG   MLZ 215          1HG       MLZ 215 -13.576   6.287   0.234
 1080   2HG   MLZ 215          2HG       MLZ 215 -14.884   5.105   0.198
 1081   1HD   MLZ 215          1HD       MLZ 215 -11.990   4.414   0.781
 1082   2HD   MLZ 215          2HD       MLZ 215 -13.320   3.282   0.537
 1083   1HE   MLZ 215          1HE       MLZ 215 -11.802   4.880  -1.478
 1084   2HE   MLZ 215          2HE       MLZ 215 -13.535   4.639  -1.775
 1085    HZ   MLZ 215           HZ       MLZ 215 -13.190   2.255  -1.284
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -11.572   3.451  -3.468
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -13.246   2.913  -3.558
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -11.953   1.736  -3.359
 1089    H    SER 216           H        SER 216 -17.418   6.193   3.518
 1090    HA   SER 216           HA       SER 216 -18.299   5.967   5.695
 1091   1HB   SER 216          1HB       SER 216 -16.278   7.190   7.246
 1092   2HB   SER 216          2HB       SER 216 -16.203   7.980   5.672
 1093    HG   SER 216           HG       SER 216 -18.152   8.769   5.944
 1094    H    ALA 217           H        ALA 217 -17.779   4.973   7.888
 1095    HA   ALA 217           HA       ALA 217 -15.495   3.038   7.681
 1096   1HB   ALA 217          1HB       ALA 217 -14.951   3.835   9.732
 1097   2HB   ALA 217          2HB       ALA 217 -16.526   3.329  10.344
 1098   3HB   ALA 217          3HB       ALA 217 -16.323   4.941   9.658
 1099    HA   PRO 218           HA       PRO 218 -18.233  -0.378   7.931
 1100   1HB   PRO 218          1HB       PRO 218 -17.247  -1.811  10.118
 1101   2HB   PRO 218          2HB       PRO 218 -16.593  -1.896   8.473
 1102   1HG   PRO 218          1HG       PRO 218 -15.613  -0.383  10.832
 1103   2HG   PRO 218          2HG       PRO 218 -14.702  -1.163   9.532
 1104   1HD   PRO 218          1HD       PRO 218 -15.070   1.519   9.675
 1105   2HD   PRO 218          2HD       PRO 218 -14.901   0.650   8.135
 1106    H    ALA 219           H        ALA 219 -17.534  -0.249  11.413
 1107    HA   ALA 219           HA       ALA 219 -19.932   1.189  12.150
 1108   1HB   ALA 219          1HB       ALA 219 -20.033  -1.813  12.545
 1109   2HB   ALA 219          2HB       ALA 219 -20.697  -1.046  11.102
 1110   3HB   ALA 219          3HB       ALA 219 -21.355  -0.655  12.690
 1111    H    THR 220           H        THR 220 -17.205   1.228  13.006
 1112    HA   THR 220           HA       THR 220 -16.982  -0.231  15.542
 1113    HB   THR 220           HB       THR 220 -14.938   1.472  15.595
 1114    HG1  THR 220           HG1      THR 220 -14.749   2.634  13.870
 1115   1HG2  THR 220          1HG2      THR 220 -13.683  -0.215  14.651
 1116   2HG2  THR 220          2HG2      THR 220 -14.795  -0.429  13.299
 1117   3HG2  THR 220          3HG2      THR 220 -15.192  -1.097  14.882
 1118    H    GLY 221           H        GLY 221 -19.285   1.088  15.893
 1119   1HA   GLY 221          1HA       GLY 221 -20.374   2.609  17.308
 1120   2HA   GLY 221          2HA       GLY 221 -18.826   2.794  18.135
 1121   1H    MET   1          1H        MET   1  -0.962 -12.487   5.310
 1122   2H    MET   1          2H        MET   1  -0.602 -12.176   3.680
 1123   3H    MET   1          3H        MET   1  -1.208 -10.934   4.668
 1124    HA   MET   1           HA       MET   1   1.138 -10.585   4.403
 1125   1HB   MET   1          1HB       MET   1  -0.149 -11.461   6.949
 1126   2HB   MET   1          2HB       MET   1   1.593 -11.200   7.002
 1127   1HG   MET   1          1HG       MET   1  -0.370  -9.179   5.885
 1128   2HG   MET   1          2HG       MET   1   0.214  -9.152   7.550
 1129   1HE   MET   1          1HE       MET   1   1.141  -7.231   4.190
 1130   2HE   MET   1          2HE       MET   1   1.657  -6.244   5.558
 1131   3HE   MET   1          3HE       MET   1   0.111  -7.091   5.615
 1132    H    PHE   2           H        PHE   2   1.382 -13.218   6.742
 1133    HA   PHE   2           HA       PHE   2   3.792 -14.284   5.739
 1134   1HB   PHE   2          1HB       PHE   2   2.998 -16.345   7.053
 1135   2HB   PHE   2          2HB       PHE   2   3.014 -14.829   7.949
 1136    HD1  PHE   2           HD1      PHE   2   1.056 -14.033   8.978
 1137    HD2  PHE   2           HD2      PHE   2   0.763 -17.024   5.909
 1138    HE1  PHE   2           HE1      PHE   2  -1.370 -14.259   9.432
 1139    HE2  PHE   2           HE2      PHE   2  -1.665 -17.250   6.363
 1140    HZ   PHE   2           HZ       PHE   2  -2.730 -15.866   8.124
 1141    H    ASN   3           H        ASN   3   4.263 -15.924   4.249
 1142    HA   ASN   3           HA       ASN   3   2.005 -17.277   2.855
 1143   1HB   ASN   3          1HB       ASN   3   2.727 -15.031   1.794
 1144   2HB   ASN   3          2HB       ASN   3   4.228 -15.852   1.368
 1145   1HD2  ASN   3          1HD2      ASN   3   3.324 -15.368  -0.932
 1146   2HD2  ASN   3          2HD2      ASN   3   2.281 -16.525  -1.606
 1147    H    ASP   4           H        ASP   4   2.817 -19.095   1.489
 1148    HA   ASP   4           HA       ASP   4   4.850 -20.645   2.821
 1149   1HB   ASP   4          1HB       ASP   4   3.259 -20.837   0.256
 1150   2HB   ASP   4          2HB       ASP   4   4.450 -22.067   0.677
 1151    H    ARG   5           H        ARG   5   6.373 -18.565   2.442
 1152    HA   ARG   5           HA       ARG   5   8.543 -19.370   0.772
 1153   1HB   ARG   5          1HB       ARG   5   6.344 -17.934  -0.493
 1154   2HB   ARG   5          2HB       ARG   5   7.843 -17.014  -0.622
 1155   1HG   ARG   5          1HG       ARG   5   8.758 -19.500  -1.217
 1156   2HG   ARG   5          2HG       ARG   5   7.111 -19.621  -1.835
 1157   1HD   ARG   5          1HD       ARG   5   7.561 -17.371  -3.012
 1158   2HD   ARG   5          2HD       ARG   5   9.272 -17.661  -2.645
 1159    HE   ARG   5           HE       ARG   5   8.169 -20.056  -3.733
 1160   1HH1  ARG   5          1HH1      ARG   5   8.968 -16.802  -4.677
 1161   2HH1  ARG   5          2HH1      ARG   5   9.260 -17.235  -6.325
 1162   1HH2  ARG   5          1HH2      ARG   5   8.555 -20.593  -5.879
 1163   2HH2  ARG   5          2HH2      ARG   5   9.029 -19.363  -7.003
 1164    H    VAL   6           H        VAL   6   6.777 -16.677   2.238
 1165    HA   VAL   6           HA       VAL   6   9.232 -15.795   3.618
 1166    HB   VAL   6           HB       VAL   6   8.887 -13.450   2.714
 1167   1HG1  VAL   6          1HG1      VAL   6  10.484 -15.279   1.771
 1168   2HG1  VAL   6          2HG1      VAL   6  10.178 -13.845   0.793
 1169   3HG1  VAL   6          3HG1      VAL   6   9.344 -15.355   0.428
 1170   1HG2  VAL   6          1HG2      VAL   6   7.315 -12.976   1.100
 1171   2HG2  VAL   6          2HG2      VAL   6   6.465 -14.285   1.921
 1172   3HG2  VAL   6          3HG2      VAL   6   7.355 -14.608   0.433
 1173    H    ILE   7           H        ILE   7   8.521 -13.659   4.922
 1174    HA   ILE   7           HA       ILE   7   5.670 -13.629   5.656
 1175    HB   ILE   7           HB       ILE   7   6.466 -15.572   6.880
 1176   1HG1  ILE   7          1HG1      ILE   7   6.448 -13.223   8.795
 1177   2HG1  ILE   7          2HG1      ILE   7   4.995 -13.931   8.089
 1178   1HG2  ILE   7          1HG2      ILE   7   8.777 -15.484   6.993
 1179   2HG2  ILE   7          2HG2      ILE   7   8.373 -14.992   8.638
 1180   3HG2  ILE   7          3HG2      ILE   7   8.796 -13.776   7.432
 1181   1HD1  ILE   7          1HD1      ILE   7   6.279 -14.772  10.429
 1182   2HD1  ILE   7          2HD1      ILE   7   6.732 -15.975   9.222
 1183   3HD1  ILE   7          3HD1      ILE   7   5.030 -15.652   9.549
 1184    H    VAL   8           H        VAL   8   5.304 -11.950   7.419
 1185    HA   VAL   8           HA       VAL   8   7.310  -9.753   7.097
 1186    HB   VAL   8           HB       VAL   8   5.064  -9.339   6.211
 1187   1HG1  VAL   8          1HG1      VAL   8   4.309 -10.694   8.687
 1188   2HG1  VAL   8          2HG1      VAL   8   3.381 -10.471   7.204
 1189   3HG1  VAL   8          3HG1      VAL   8   3.395  -9.207   8.434
 1190   1HG2  VAL   8          1HG2      VAL   8   4.766  -7.239   7.157
 1191   2HG2  VAL   8          2HG2      VAL   8   6.399  -7.608   7.714
 1192   3HG2  VAL   8          3HG2      VAL   8   5.025  -7.828   8.799
 1193    H    LYS   9           H        LYS   9   8.070  -8.673   8.913
 1194    HA   LYS   9           HA       LYS   9   7.124  -9.546  11.597
 1195   1HB   LYS   9          1HB       LYS   9   9.974  -9.509  10.553
 1196   2HB   LYS   9          2HB       LYS   9   9.525  -9.848  12.223
 1197   1HG   LYS   9          1HG       LYS   9   7.906 -11.605  10.952
 1198   2HG   LYS   9          2HG       LYS   9   9.247 -11.552   9.808
 1199   1HD   LYS   9          1HD       LYS   9  10.543 -12.781  11.182
 1200   2HD   LYS   9          2HD       LYS   9  10.239 -11.684  12.526
 1201   1HE   LYS   9          1HE       LYS   9   7.943 -12.866  12.732
 1202   2HE   LYS   9          2HE       LYS   9   8.651 -14.122  11.699
 1203   1HZ   LYS   9          1HZ       LYS   9   9.574 -13.171  14.348
 1204   2HZ   LYS   9          2HZ       LYS   9  10.629 -13.974  13.287
 1205   3HZ   LYS   9          3HZ       LYS   9   9.237 -14.762  13.857
 1206    H    LYS  10           H        LYS  10   7.854  -6.169  12.657
 1207    HA   LYS  10           HA       LYS  10   6.910  -7.342  14.435
 1208   1HB   LYS  10          1HB       LYS  10   5.663  -8.177  11.932
 1209   2HB   LYS  10          2HB       LYS  10   5.545  -9.427  13.170
 1210   1HG   LYS  10          1HG       LYS  10   4.889  -6.545  13.782
 1211   2HG   LYS  10          2HG       LYS  10   3.680  -7.637  13.108
 1212   1HD   LYS  10          1HD       LYS  10   3.642  -8.985  15.008
 1213   2HD   LYS  10          2HD       LYS  10   5.270  -8.516  15.497
 1214   1HE   LYS  10          1HE       LYS  10   3.285  -6.306  15.401
 1215   2HE   LYS  10          2HE       LYS  10   3.041  -7.512  16.680
 1216   1HZ   LYS  10          1HZ       LYS  10   4.610  -5.753  17.347
 1217   2HZ   LYS  10          2HZ       LYS  10   5.627  -6.175  16.054
 1218   3HZ   LYS  10          3HZ       LYS  10   5.350  -7.282  17.312
 1219    H    SER  11           H        SER  11   9.464  -7.979  14.343
 1220    HA   SER  11           HA       SER  11   9.709 -10.954  14.244
 1221   1HB   SER  11          1HB       SER  11  12.063  -9.211  14.760
 1222   2HB   SER  11          2HB       SER  11  11.891 -10.543  13.621
 1223    HG   SER  11           HG       SER  11  11.876  -8.016  13.056
 1224    HA   PRO  12           HA       PRO  12  10.472 -11.586  18.541
 1225   1HB   PRO  12          1HB       PRO  12  13.445 -11.483  18.311
 1226   2HB   PRO  12          2HB       PRO  12  12.414 -12.771  18.959
 1227   1HG   PRO  12          1HG       PRO  12  13.630 -12.960  16.571
 1228   2HG   PRO  12          2HG       PRO  12  12.057 -13.698  16.899
 1229   1HD   PRO  12          1HD       PRO  12  12.719 -11.293  15.296
 1230   2HD   PRO  12          2HD       PRO  12  11.374 -12.439  15.121
 1231    H    LEU  13           H        LEU  13  12.968  -9.331  17.299
 1232    HA   LEU  13           HA       LEU  13  12.011  -7.239  19.152
 1233   1HB   LEU  13          1HB       LEU  13  13.920  -9.031  20.006
 1234   2HB   LEU  13          2HB       LEU  13  14.922  -7.738  19.348
 1235    HG   LEU  13           HG       LEU  13  13.322  -6.165  20.701
 1236   1HD1  LEU  13          1HD1      LEU  13  11.760  -7.199  21.947
 1237   2HD1  LEU  13          2HD1      LEU  13  13.040  -8.012  22.848
 1238   3HD1  LEU  13          3HD1      LEU  13  12.352  -8.772  21.413
 1239   1HD2  LEU  13          1HD2      LEU  13  15.442  -7.953  21.917
 1240   2HD2  LEU  13          2HD2      LEU  13  14.760  -6.561  22.759
 1241   3HD2  LEU  13          3HD2      LEU  13  15.654  -6.332  21.256
 1242    H    GLY  14           H        GLY  14  12.341  -7.630  16.197
 1243   1HA   GLY  14          1HA       GLY  14  14.452  -5.609  15.615
 1244   2HA   GLY  14          2HA       GLY  14  13.728  -6.687  14.421
 1245    H    GLY  15           H        GLY  15  13.215  -4.804  13.108
 1246   1HA   GLY  15          1HA       GLY  15  11.102  -3.027  14.235
 1247   2HA   GLY  15          2HA       GLY  15  12.064  -2.669  12.800
 1248    H    TYR  16           H        TYR  16  10.252  -2.417  11.409
 1249    HA   TYR  16           HA       TYR  16   8.500  -4.816  11.077
 1250   1HB   TYR  16          1HB       TYR  16   8.245  -1.879  10.820
 1251   2HB   TYR  16          2HB       TYR  16   7.426  -2.798   9.558
 1252    HD1  TYR  16           HD1      TYR  16   5.186  -3.216  10.007
 1253    HD2  TYR  16           HD2      TYR  16   7.998  -3.200  13.253
 1254    HE1  TYR  16           HE1      TYR  16   3.360  -3.769  11.591
 1255    HE2  TYR  16           HE2      TYR  16   6.172  -3.753  14.837
 1256    HH   TYR  16           HH       TYR  16   3.157  -4.862  13.850
 1257    H    GLY  17           H        GLY  17  10.348  -5.869   9.868
 1258   1HA   GLY  17          1HA       GLY  17  10.532  -4.835   7.065
 1259   2HA   GLY  17          2HA       GLY  17  11.829  -5.742   7.845
 1260    H    VAL  18           H        VAL  18  11.501  -7.201   5.886
 1261    HA   VAL  18           HA       VAL  18   9.211  -9.075   6.392
 1262    HB   VAL  18           HB       VAL  18   8.854  -8.043   4.275
 1263   1HG1  VAL  18          1HG1      VAL  18  11.804  -8.465   3.732
 1264   2HG1  VAL  18          2HG1      VAL  18  11.006  -6.926   4.027
 1265   3HG1  VAL  18          3HG1      VAL  18  10.649  -7.837   2.561
 1266   1HG2  VAL  18          1HG2      VAL  18   9.236  -9.839   2.628
 1267   2HG2  VAL  18          2HG2      VAL  18   8.681 -10.500   4.166
 1268   3HG2  VAL  18          3HG2      VAL  18  10.386 -10.603   3.726
 1269    H    PHE  19           H        PHE  19   9.819 -11.132   6.943
 1270    HA   PHE  19           HA       PHE  19  12.704 -11.733   7.087
 1271   1HB   PHE  19          1HB       PHE  19  10.200 -12.474   8.387
 1272   2HB   PHE  19          2HB       PHE  19  11.176 -13.896   8.021
 1273    HD1  PHE  19           HD1      PHE  19  11.914 -10.372   9.111
 1274    HD2  PHE  19           HD2      PHE  19  12.483 -14.570   9.819
 1275    HE1  PHE  19           HE1      PHE  19  13.397  -9.848  11.029
 1276    HE2  PHE  19           HE2      PHE  19  13.966 -14.046  11.736
 1277    HZ   PHE  19           HZ       PHE  19  14.423 -11.685  12.341
 1278    H    ALA  20           H        ALA  20  13.569 -13.767   6.271
 1279    HA   ALA  20           HA       ALA  20  12.186 -14.684   3.783
 1280   1HB   ALA  20          1HB       ALA  20  14.810 -13.830   4.430
 1281   2HB   ALA  20          2HB       ALA  20  14.263 -14.496   2.891
 1282   3HB   ALA  20          3HB       ALA  20  14.927 -15.564   4.128
 1283    H    ARG  21           H        ARG  21  10.861 -16.342   4.640
 1284    HA   ARG  21           HA       ARG  21  11.793 -18.323   6.536
 1285   1HB   ARG  21          1HB       ARG  21   9.412 -17.508   5.868
 1286   2HB   ARG  21          2HB       ARG  21   9.558 -18.636   4.521
 1287   1HG   ARG  21          1HG       ARG  21   9.727 -20.507   5.966
 1288   2HG   ARG  21          2HG       ARG  21  10.087 -19.498   7.366
 1289   1HD   ARG  21          1HD       ARG  21   7.683 -18.464   6.749
 1290   2HD   ARG  21          2HD       ARG  21   7.451 -20.097   6.095
 1291    HE   ARG  21           HE       ARG  21   7.784 -19.408   8.920
 1292   1HH1  ARG  21          1HH1      ARG  21   8.211 -21.851   6.478
 1293   2HH1  ARG  21          2HH1      ARG  21   8.175 -23.152   7.617
 1294   1HH2  ARG  21          1HH2      ARG  21   7.740 -21.114  10.380
 1295   2HH2  ARG  21          2HH2      ARG  21   7.910 -22.740   9.809
 1296    H    LYS  22           H        LYS  22  12.175 -17.894   3.118
 1297    HA   LYS  22           HA       LYS  22  12.898 -20.749   2.676
 1298   1HB   LYS  22          1HB       LYS  22  12.665 -18.324   0.846
 1299   2HB   LYS  22          2HB       LYS  22  12.919 -19.980   0.302
 1300   1HG   LYS  22          1HG       LYS  22  10.610 -19.486   2.119
 1301   2HG   LYS  22          2HG       LYS  22  10.470 -18.912   0.457
 1302   1HD   LYS  22          1HD       LYS  22  11.413 -21.714   1.052
 1303   2HD   LYS  22          2HD       LYS  22   9.692 -21.335   0.978
 1304   1HE   LYS  22          1HE       LYS  22   9.819 -21.535  -1.278
 1305   2HE   LYS  22          2HE       LYS  22  10.877 -20.111  -1.296
 1306   1HZ   LYS  22          1HZ       LYS  22  11.633 -22.967  -1.048
 1307   2HZ   LYS  22          2HZ       LYS  22  12.688 -21.724  -0.573
 1308   3HZ   LYS  22          3HZ       LYS  22  12.177 -21.833  -2.189
 1309    H    SER  23           H        SER  23  16.377 -19.941   1.720
 1310    HA   SER  23           HA       SER  23  13.915 -21.512   1.058
 1311   1HB   SER  23          1HB       SER  23  15.830 -22.702   2.066
 1312   2HB   SER  23          2HB       SER  23  15.608 -23.220   0.395
 1313    HG   SER  23           HG       SER  23  17.444 -22.351  -0.126
 1314    H    PHE  24           H        PHE  24  16.346 -19.379  -0.249
 1315    HA   PHE  24           HA       PHE  24  15.154 -19.759  -2.976
 1316   1HB   PHE  24          1HB       PHE  24  16.294 -17.379  -1.477
 1317   2HB   PHE  24          2HB       PHE  24  15.925 -17.325  -3.200
 1318    HD1  PHE  24           HD1      PHE  24  13.481 -18.874  -3.451
 1319    HD2  PHE  24           HD2      PHE  24  14.654 -16.126  -0.364
 1320    HE1  PHE  24           HE1      PHE  24  11.095 -18.443  -2.928
 1321    HE2  PHE  24           HE2      PHE  24  12.269 -15.695   0.159
 1322    HZ   PHE  24           HZ       PHE  24  10.489 -16.854  -1.123
 1323    H    GLU  25           H        GLU  25  16.627 -19.601  -4.790
 1324    HA   GLU  25           HA       GLU  25  19.339 -20.593  -4.187
 1325   1HB   GLU  25          1HB       GLU  25  17.413 -20.514  -6.412
 1326   2HB   GLU  25          2HB       GLU  25  19.080 -20.265  -6.930
 1327   1HG   GLU  25          1HG       GLU  25  19.420 -22.318  -5.185
 1328   2HG   GLU  25          2HG       GLU  25  17.798 -22.673  -5.778
 1329    H    LYS  26           H        LYS  26  18.538 -18.323  -6.800
 1330    HA   LYS  26           HA       LYS  26  19.724 -16.000  -5.601
 1331   1HB   LYS  26          1HB       LYS  26  21.712 -17.547  -5.752
 1332   2HB   LYS  26          2HB       LYS  26  21.514 -17.559  -7.502
 1333   1HG   LYS  26          1HG       LYS  26  21.625 -14.981  -7.337
 1334   2HG   LYS  26          2HG       LYS  26  22.252 -15.244  -5.710
 1335   1HD   LYS  26          1HD       LYS  26  23.923 -16.873  -6.859
 1336   2HD   LYS  26          2HD       LYS  26  23.469 -16.045  -8.348
 1337   1HE   LYS  26          1HE       LYS  26  23.924 -13.885  -6.794
 1338   2HE   LYS  26          2HE       LYS  26  25.036 -15.031  -6.024
 1339   1HZ   LYS  26          1HZ       LYS  26  25.871 -15.605  -8.246
 1340   2HZ   LYS  26          2HZ       LYS  26  26.120 -13.963  -7.893
 1341   3HZ   LYS  26          3HZ       LYS  26  24.860 -14.426  -8.933
 1342    H    GLY  27           H        GLY  27  17.945 -15.024  -6.695
 1343   1HA   GLY  27          1HA       GLY  27  17.744 -13.507  -8.683
 1344   2HA   GLY  27          2HA       GLY  27  18.251 -14.878  -9.668
 1345    H    GLU  28           H        GLU  28  16.124 -15.584  -7.028
 1346    HA   GLU  28           HA       GLU  28  13.966 -16.203  -8.979
 1347   1HB   GLU  28          1HB       GLU  28  14.420 -16.916  -6.056
 1348   2HB   GLU  28          2HB       GLU  28  13.118 -17.554  -7.059
 1349   1HG   GLU  28          1HG       GLU  28  14.749 -18.572  -8.577
 1350   2HG   GLU  28          2HG       GLU  28  16.077 -17.875  -7.648
 1351    H    LEU  29           H        LEU  29  11.796 -15.460  -8.595
 1352    HA   LEU  29           HA       LEU  29  11.624 -12.791  -7.426
 1353   1HB   LEU  29          1HB       LEU  29  10.451 -13.905  -9.495
 1354   2HB   LEU  29          2HB       LEU  29   9.313 -14.527  -8.302
 1355    HG   LEU  29           HG       LEU  29   8.535 -12.382  -9.267
 1356   1HD1  LEU  29          1HD1      LEU  29   7.825 -11.477  -7.234
 1357   2HD1  LEU  29          2HD1      LEU  29   9.377 -11.768  -6.448
 1358   3HD1  LEU  29          3HD1      LEU  29   8.278 -13.113  -6.757
 1359   1HD2  LEU  29          1HD2      LEU  29  10.369 -10.626  -7.906
 1360   2HD2  LEU  29          2HD2      LEU  29   9.969 -10.686  -9.623
 1361   3HD2  LEU  29          3HD2      LEU  29  11.269 -11.691  -8.985
 1362    H    VAL  30           H        VAL  30  11.248 -12.434  -5.288
 1363    HA   VAL  30           HA       VAL  30  10.311 -14.604  -3.538
 1364    HB   VAL  30           HB       VAL  30  11.080 -11.690  -3.123
 1365   1HG1  VAL  30          1HG1      VAL  30  11.384 -12.735  -0.690
 1366   2HG1  VAL  30          2HG1      VAL  30  10.112 -13.818  -1.255
 1367   3HG1  VAL  30          3HG1      VAL  30   9.833 -12.077  -1.210
 1368   1HG2  VAL  30          1HG2      VAL  30  12.536 -14.318  -2.727
 1369   2HG2  VAL  30          2HG2      VAL  30  13.120 -12.777  -2.097
 1370   3HG2  VAL  30          3HG2      VAL  30  12.965 -13.017  -3.837
 1371    H    GLU  31           H        GLU  31   9.163 -11.355  -4.506
 1372    HA   GLU  31           HA       GLU  31   6.387 -12.147  -4.499
 1373   1HB   GLU  31          1HB       GLU  31   7.606 -11.626  -1.989
 1374   2HB   GLU  31          2HB       GLU  31   6.585 -10.230  -2.337
 1375   1HG   GLU  31          1HG       GLU  31   5.596 -13.072  -2.644
 1376   2HG   GLU  31          2HG       GLU  31   5.450 -12.183  -1.128
 1377    H    GLU  32           H        GLU  32   5.110 -10.490  -5.419
 1378    HA   GLU  32           HA       GLU  32   6.498  -7.875  -5.913
 1379   1HB   GLU  32          1HB       GLU  32   5.492  -8.004  -8.194
 1380   2HB   GLU  32          2HB       GLU  32   6.561  -9.370  -7.877
 1381   1HG   GLU  32          1HG       GLU  32   4.700 -10.824  -7.423
 1382   2HG   GLU  32          2HG       GLU  32   3.569  -9.470  -7.418
 1383    H    CYS  33           H        CYS  33   5.103  -6.044  -5.981
 1384    HA   CYS  33           HA       CYS  33   2.213  -6.512  -5.389
 1385   1HB   CYS  33          1HB       CYS  33   4.121  -4.722  -3.835
 1386   2HB   CYS  33          2HB       CYS  33   2.402  -4.921  -3.502
 1387    HG   CYS  33           HG       CYS  33   3.391  -6.662  -1.955
 1388    H    LEU  34           H        LEU  34   1.766  -3.688  -4.849
 1389    HA   LEU  34           HA       LEU  34   2.174  -2.618  -7.617
 1390   1HB   LEU  34          1HB       LEU  34  -0.057  -2.923  -5.849
 1391   2HB   LEU  34          2HB       LEU  34   0.218  -1.197  -6.067
 1392    HG   LEU  34           HG       LEU  34   0.251  -1.545  -8.534
 1393   1HD1  LEU  34          1HD1      LEU  34  -0.211  -4.384  -7.644
 1394   2HD1  LEU  34          2HD1      LEU  34   0.912  -3.774  -8.860
 1395   3HD1  LEU  34          3HD1      LEU  34  -0.816  -3.836  -9.207
 1396   1HD2  LEU  34          1HD2      LEU  34  -2.182  -2.488  -6.995
 1397   2HD2  LEU  34          2HD2      LEU  34  -2.210  -2.142  -8.724
 1398   3HD2  LEU  34          3HD2      LEU  34  -1.843  -0.856  -7.574
 1399    H    CYS  35           H        CYS  35   2.078  -0.087  -7.557
 1400    HA   CYS  35           HA       CYS  35   3.419   1.070  -5.172
 1401   1HB   CYS  35          1HB       CYS  35   4.544   0.708  -7.945
 1402   2HB   CYS  35          2HB       CYS  35   5.056   2.091  -6.977
 1403    HG   CYS  35           HG       CYS  35   6.690   0.286  -6.236
 1404    H    ILE  36           H        ILE  36   3.483   3.512  -5.386
 1405    HA   ILE  36           HA       ILE  36   1.142   4.437  -7.013
 1406    HB   ILE  36           HB       ILE  36   2.482   5.722  -4.608
 1407   1HG1  ILE  36          1HG1      ILE  36   0.083   3.865  -4.759
 1408   2HG1  ILE  36          2HG1      ILE  36   1.617   3.534  -3.956
 1409   1HG2  ILE  36          1HG2      ILE  36   0.394   7.003  -4.472
 1410   2HG2  ILE  36          2HG2      ILE  36  -0.252   6.128  -5.860
 1411   3HG2  ILE  36          3HG2      ILE  36   1.124   7.212  -6.064
 1412   1HD1  ILE  36          1HD1      ILE  36   0.519   6.043  -3.015
 1413   2HD1  ILE  36          2HD1      ILE  36   0.939   4.601  -2.092
 1414   3HD1  ILE  36          3HD1      ILE  36  -0.661   4.747  -2.821
 1415    H    VAL  37           H        VAL  37   1.428   6.170  -8.443
 1416    HA   VAL  37           HA       VAL  37   4.247   7.152  -8.749
 1417    HB   VAL  37           HB       VAL  37   2.008   6.761 -10.771
 1418   1HG1  VAL  37          1HG1      VAL  37   4.067   6.996 -12.349
 1419   2HG1  VAL  37          2HG1      VAL  37   4.835   7.784 -10.970
 1420   3HG1  VAL  37          3HG1      VAL  37   3.364   8.463 -11.667
 1421   1HG2  VAL  37          1HG2      VAL  37   3.879   5.031 -11.548
 1422   2HG2  VAL  37          2HG2      VAL  37   2.682   4.591 -10.330
 1423   3HG2  VAL  37          3HG2      VAL  37   4.301   5.085  -9.836
 1424    H    ARG  38           H        ARG  38   4.450   9.287  -8.231
 1425    HA   ARG  38           HA       ARG  38   2.313  11.187  -9.035
 1426   1HB   ARG  38          1HB       ARG  38   1.807  10.353  -6.742
 1427   2HB   ARG  38          2HB       ARG  38   3.403  10.885  -6.217
 1428   1HG   ARG  38          1HG       ARG  38   1.668  12.557  -5.650
 1429   2HG   ARG  38          2HG       ARG  38   2.836  13.208  -6.800
 1430   1HD   ARG  38          1HD       ARG  38   1.312  12.994  -8.626
 1431   2HD   ARG  38          2HD       ARG  38   0.236  11.932  -7.698
 1432    HE   ARG  38           HE       ARG  38   0.605  14.445  -6.329
 1433   1HH1  ARG  38          1HH1      ARG  38  -1.034  12.970  -9.022
 1434   2HH1  ARG  38          2HH1      ARG  38  -2.334  14.110  -8.997
 1435   1HH2  ARG  38          1HH2      ARG  38  -1.092  15.912  -6.316
 1436   2HH2  ARG  38          2HH2      ARG  38  -2.369  15.764  -7.477
 1437    H    HIS  39           H        HIS  39   3.155  13.249  -9.487
 1438    HA   HIS  39           HA       HIS  39   5.905  13.568 -10.082
 1439   1HB   HIS  39          1HB       HIS  39   3.736  15.593  -9.418
 1440   2HB   HIS  39          2HB       HIS  39   5.250  15.981 -10.236
 1441    HD1  HIS  39           HD1      HIS  39   2.142  15.973 -11.373
 1442    HD2  HIS  39           HD2      HIS  39   5.238  13.344 -12.310
 1443    HE1  HIS  39           HE1      HIS  39   1.567  14.962 -13.623
 1444    H    ASN  40           H        ASN  40   6.882  15.848  -8.950
 1445    HA   ASN  40           HA       ASN  40   7.258  15.040  -6.095
 1446   1HB   ASN  40          1HB       ASN  40   8.905  16.256  -8.271
 1447   2HB   ASN  40          2HB       ASN  40   9.273  16.754  -6.620
 1448   1HD2  ASN  40          1HD2      ASN  40  10.401  15.268  -5.293
 1449   2HD2  ASN  40          2HD2      ASN  40  10.805  13.692  -5.774
 1450    H    ASP  41           H        ASP  41   5.704  16.195  -4.967
 1451    HA   ASP  41           HA       ASP  41   6.076  19.095  -4.722
 1452   1HB   ASP  41          1HB       ASP  41   3.731  19.555  -5.441
 1453   2HB   ASP  41          2HB       ASP  41   4.669  18.833  -6.746
 1454    H    ASP  42           H        ASP  42   3.081  19.008  -3.708
 1455    HA   ASP  42           HA       ASP  42   3.524  18.630  -0.954
 1456   1HB   ASP  42          1HB       ASP  42   1.113  18.314  -2.765
 1457   2HB   ASP  42          2HB       ASP  42   0.977  18.189  -1.011
 1458    H    TRP  43           H        TRP  43   3.043  16.287  -3.495
 1459    HA   TRP  43           HA       TRP  43   2.278  13.983  -2.014
 1460   1HB   TRP  43          1HB       TRP  43   2.224  13.959  -4.399
 1461   2HB   TRP  43          2HB       TRP  43   3.872  14.564  -4.525
 1462    HD1  TRP  43           HD1      TRP  43   5.679  12.832  -4.942
 1463    HE1  TRP  43           HE1      TRP  43   5.837  10.263  -4.793
 1464    HE3  TRP  43           HE3      TRP  43   1.124  11.784  -2.883
 1465    HZ2  TRP  43           HZ2      TRP  43   4.243   8.059  -3.921
 1466    HZ3  TRP  43           HZ3      TRP  43   0.472   9.443  -2.403
 1467    HH2  TRP  43           HH2      TRP  43   2.024   7.579  -2.917
 1468    H    GLY  44           H        GLY  44   5.578  14.995  -3.014
 1469   1HA   GLY  44          1HA       GLY  44   6.989  13.044  -1.523
 1470   2HA   GLY  44          2HA       GLY  44   7.657  14.607  -1.998
 1471    H    THR  45           H        THR  45   5.656  16.170  -0.549
 1472    HA   THR  45           HA       THR  45   6.945  16.262   2.037
 1473    HB   THR  45           HB       THR  45   4.346  17.498   1.053
 1474    HG1  THR  45           HG1      THR  45   5.635  18.495  -0.249
 1475   1HG2  THR  45          1HG2      THR  45   6.098  17.873   3.437
 1476   2HG2  THR  45          2HG2      THR  45   4.350  18.056   3.288
 1477   3HG2  THR  45          3HG2      THR  45   5.422  19.327   2.700
 1478    H    ALA  46           H        ALA  46   3.450  15.803   1.368
 1479    HA   ALA  46           HA       ALA  46   2.722  14.780   3.880
 1480   1HB   ALA  46          1HB       ALA  46   0.967  15.310   2.427
 1481   2HB   ALA  46          2HB       ALA  46   0.964  13.550   2.303
 1482   3HB   ALA  46          3HB       ALA  46   1.739  14.522   1.051
 1483    H    LEU  47           H        LEU  47   3.604  12.884   0.963
 1484    HA   LEU  47           HA       LEU  47   3.743  10.413   2.585
 1485   1HB   LEU  47          1HB       LEU  47   3.884  11.201  -0.324
 1486   2HB   LEU  47          2HB       LEU  47   4.411   9.592   0.168
 1487    HG   LEU  47           HG       LEU  47   2.038   9.563  -0.484
 1488   1HD1  LEU  47          1HD1      LEU  47   1.830   9.340   2.470
 1489   2HD1  LEU  47          2HD1      LEU  47   3.112   8.397   1.709
 1490   3HD1  LEU  47          3HD1      LEU  47   1.433   8.160   1.221
 1491   1HD2  LEU  47          1HD2      LEU  47   0.417  10.957   0.464
 1492   2HD2  LEU  47          2HD2      LEU  47   1.800  12.043   0.330
 1493   3HD2  LEU  47          3HD2      LEU  47   1.405  11.305   1.882
 1494    H    GLU  48           H        GLU  48   5.731  12.437   3.240
 1495    HA   GLU  48           HA       GLU  48   8.240  11.922   1.915
 1496   1HB   GLU  48          1HB       GLU  48   9.115  13.113   3.946
 1497   2HB   GLU  48          2HB       GLU  48   7.746  13.946   3.210
 1498   1HG   GLU  48          1HG       GLU  48   6.704  13.852   5.205
 1499   2HG   GLU  48          2HG       GLU  48   6.624  12.100   5.020
 1500    H    ASP  49           H        ASP  49   7.557   9.387   2.148
 1501    HA   ASP  49           HA       ASP  49   9.552   8.158   3.795
 1502   1HB   ASP  49          1HB       ASP  49   7.288   9.012   5.192
 1503   2HB   ASP  49          2HB       ASP  49   6.982   7.297   4.922
 1504    H    TYR  50           H        TYR  50   9.828   6.035   3.104
 1505    HA   TYR  50           HA       TYR  50   9.461   4.056   1.868
 1506   1HB   TYR  50          1HB       TYR  50   6.510   4.707   2.024
 1507   2HB   TYR  50          2HB       TYR  50   7.285   3.128   2.082
 1508    HD1  TYR  50           HD1      TYR  50   5.632   5.481   4.018
 1509    HD2  TYR  50           HD2      TYR  50   9.118   2.972   4.123
 1510    HE1  TYR  50           HE1      TYR  50   5.638   5.595   6.494
 1511    HE2  TYR  50           HE2      TYR  50   9.124   3.087   6.599
 1512    HH   TYR  50           HH       TYR  50   7.288   3.522   8.426
 1513    H    LEU  51           H        LEU  51   9.710   6.678   0.458
 1514    HA   LEU  51           HA       LEU  51   7.986   6.188  -1.939
 1515   1HB   LEU  51          1HB       LEU  51   9.528   8.544  -0.824
 1516   2HB   LEU  51          2HB       LEU  51   8.951   8.544  -2.487
 1517    HG   LEU  51           HG       LEU  51   7.282   8.377   0.039
 1518   1HD1  LEU  51          1HD1      LEU  51   6.212  10.378  -1.280
 1519   2HD1  LEU  51          2HD1      LEU  51   7.748  10.391  -2.146
 1520   3HD1  LEU  51          3HD1      LEU  51   7.718  10.635  -0.400
 1521   1HD2  LEU  51          1HD2      LEU  51   5.342   8.389  -1.622
 1522   2HD2  LEU  51          2HD2      LEU  51   6.219   6.866  -1.483
 1523   3HD2  LEU  51          3HD2      LEU  51   6.516   7.932  -2.856
 1524    H    PHE  52           H        PHE  52   8.912   5.548  -3.833
 1525    HA   PHE  52           HA       PHE  52  11.904   5.420  -3.983
 1526   1HB   PHE  52          1HB       PHE  52   9.602   3.799  -5.068
 1527   2HB   PHE  52          2HB       PHE  52  11.160   3.756  -5.890
 1528    HD1  PHE  52           HD1      PHE  52  12.786   2.239  -5.161
 1529    HD2  PHE  52           HD2      PHE  52   9.688   3.470  -2.451
 1530    HE1  PHE  52           HE1      PHE  52  13.633   0.639  -3.466
 1531    HE2  PHE  52           HE2      PHE  52  10.535   1.870  -0.757
 1532    HZ   PHE  52           HZ       PHE  52  12.507   0.454  -1.264
 1533    H    SER  53           H        SER  53  12.426   7.396  -4.975
 1534    HA   SER  53           HA       SER  53  10.696   8.474  -7.098
 1535   1HB   SER  53          1HB       SER  53  11.811   9.775  -5.223
 1536   2HB   SER  53          2HB       SER  53  13.352   9.474  -6.025
 1537    HG   SER  53           HG       SER  53  12.460  10.488  -7.889
 1538    H    ARG  54           H        ARG  54  11.033   8.146  -9.228
 1539    HA   ARG  54           HA       ARG  54  13.622   6.957 -10.122
 1540   1HB   ARG  54          1HB       ARG  54  10.887   6.459 -10.618
 1541   2HB   ARG  54          2HB       ARG  54  11.503   7.184 -12.103
 1542   1HG   ARG  54          1HG       ARG  54  12.853   5.402 -12.564
 1543   2HG   ARG  54          2HG       ARG  54  13.257   5.143 -10.866
 1544   1HD   ARG  54          1HD       ARG  54  11.399   3.789 -10.496
 1545   2HD   ARG  54          2HD       ARG  54  10.454   4.564 -11.782
 1546    HE   ARG  54           HE       ARG  54  11.452   3.069 -13.319
 1547   1HH1  ARG  54          1HH1      ARG  54  13.323   3.252 -10.389
 1548   2HH1  ARG  54          2HH1      ARG  54  14.419   2.008 -10.882
 1549   1HH2  ARG  54          1HH2      ARG  54  12.888   1.458 -13.936
 1550   2HH2  ARG  54          2HH2      ARG  54  14.177   0.999 -12.874
 1551    H    LYS  55           H        LYS  55  13.984   7.733 -12.597
 1552    HA   LYS  55           HA       LYS  55  14.534  10.585 -12.442
 1553   1HB   LYS  55          1HB       LYS  55  15.202   8.240 -14.045
 1554   2HB   LYS  55          2HB       LYS  55  14.939   9.656 -15.063
 1555   1HG   LYS  55          1HG       LYS  55  16.422  10.795 -13.123
 1556   2HG   LYS  55          2HG       LYS  55  17.048   9.149 -13.022
 1557   1HD   LYS  55          1HD       LYS  55  18.024   9.252 -15.093
 1558   2HD   LYS  55          2HD       LYS  55  16.741  10.262 -15.759
 1559   1HE   LYS  55          1HE       LYS  55  18.178  12.013 -15.555
 1560   2HE   LYS  55          2HE       LYS  55  17.981  11.862 -13.799
 1561   1HZ   LYS  55          1HZ       LYS  55  19.779  10.368 -13.671
 1562   2HZ   LYS  55          2HZ       LYS  55  20.328  11.613 -14.687
 1563   3HZ   LYS  55          3HZ       LYS  55  19.825  10.134 -15.353
 1564    H    ASN  56           H        ASN  56  12.141  11.093 -12.164
 1565    HA   ASN  56           HA       ASN  56  10.344  10.804 -14.423
 1566   1HB   ASN  56          1HB       ASN  56  11.457  13.576 -13.925
 1567   2HB   ASN  56          2HB       ASN  56  12.201  12.482 -15.092
 1568   1HD2  ASN  56          1HD2      ASN  56  11.349  12.617 -17.174
 1569   2HD2  ASN  56          2HD2      ASN  56   9.807  13.211 -17.560
 1570    H    MET  57           H        MET  57  10.413  10.606 -11.415
 1571    HA   MET  57           HA       MET  57   8.934  12.802 -10.280
 1572   1HB   MET  57          1HB       MET  57   6.688  11.759 -10.344
 1573   2HB   MET  57          2HB       MET  57   7.298  12.018 -11.975
 1574   1HG   MET  57          1HG       MET  57   7.884   9.394 -10.660
 1575   2HG   MET  57          2HG       MET  57   6.251   9.681 -11.252
 1576   1HE   MET  57          1HE       MET  57   6.245  10.910 -14.278
 1577   2HE   MET  57          2HE       MET  57   5.458   9.857 -13.102
 1578   3HE   MET  57          3HE       MET  57   6.080   9.185 -14.610
 1579    H    SER  58           H        SER  58   7.357  11.578  -8.422
 1580    HA   SER  58           HA       SER  58   9.244   9.733  -6.995
 1581   1HB   SER  58          1HB       SER  58   7.806  10.800  -5.009
 1582   2HB   SER  58          2HB       SER  58   9.177  11.668  -5.698
 1583    HG   SER  58           HG       SER  58   7.638  13.131  -5.884
 1584    H    ALA  59           H        ALA  59   8.379   7.803  -6.222
 1585    HA   ALA  59           HA       ALA  59   5.413   7.432  -6.475
 1586   1HB   ALA  59          1HB       ALA  59   6.105   6.206  -8.298
 1587   2HB   ALA  59          2HB       ALA  59   6.447   4.981  -7.077
 1588   3HB   ALA  59          3HB       ALA  59   7.743   6.019  -7.673
 1589    H    MET  60           H        MET  60   4.694   5.439  -5.181
 1590    HA   MET  60           HA       MET  60   6.258   5.310  -2.632
 1591   1HB   MET  60          1HB       MET  60   3.648   5.967  -3.096
 1592   2HB   MET  60          2HB       MET  60   3.494   4.233  -2.808
 1593   1HG   MET  60          1HG       MET  60   5.150   4.845  -0.780
 1594   2HG   MET  60          2HG       MET  60   4.341   6.403  -0.947
 1595   1HE   MET  60          1HE       MET  60   3.491   6.673   0.882
 1596   2HE   MET  60          2HE       MET  60   3.165   5.351   2.003
 1597   3HE   MET  60          3HE       MET  60   1.827   6.234   1.268
 1598    H    ALA  61           H        ALA  61   6.030   3.096  -1.511
 1599    HA   ALA  61           HA       ALA  61   6.911   1.037  -3.385
 1600   1HB   ALA  61          1HB       ALA  61   6.589  -0.044  -0.814
 1601   2HB   ALA  61          2HB       ALA  61   6.943   1.661  -0.536
 1602   3HB   ALA  61          3HB       ALA  61   8.064   0.668  -1.467
 1603    H    LEU  62           H        LEU  62   4.015   1.575  -1.376
 1604    HA   LEU  62           HA       LEU  62   2.487  -0.235  -3.088
 1605   1HB   LEU  62          1HB       LEU  62   1.205   0.667  -0.626
 1606   2HB   LEU  62          2HB       LEU  62   2.036   1.989  -1.447
 1607    HG   LEU  62           HG       LEU  62   0.892   1.201  -3.588
 1608   1HD1  LEU  62          1HD1      LEU  62  -0.290  -0.641  -1.561
 1609   2HD1  LEU  62          2HD1      LEU  62   0.069  -0.927  -3.263
 1610   3HD1  LEU  62          3HD1      LEU  62  -1.368  -0.013  -2.807
 1611   1HD2  LEU  62          1HD2      LEU  62  -1.350   1.899  -1.821
 1612   2HD2  LEU  62          2HD2      LEU  62  -0.685   2.781  -3.196
 1613   3HD2  LEU  62          3HD2      LEU  62   0.063   2.931  -1.606
 1614    H    GLY  63           H        GLY  63   3.279  -2.357  -2.699
 1615   1HA   GLY  63          1HA       GLY  63   2.070  -3.718  -0.466
 1616   2HA   GLY  63          2HA       GLY  63   3.157  -4.450  -1.643
 1617    H    PHE  64           H        PHE  64   5.000  -5.207  -0.758
 1618    HA   PHE  64           HA       PHE  64   5.823  -4.292   1.929
 1619   1HB   PHE  64          1HB       PHE  64   6.925  -6.419   0.053
 1620   2HB   PHE  64          2HB       PHE  64   7.291  -6.265   1.771
 1621    HD1  PHE  64           HD1      PHE  64   5.151  -7.787  -0.623
 1622    HD2  PHE  64           HD2      PHE  64   5.221  -6.254   3.389
 1623    HE1  PHE  64           HE1      PHE  64   3.145  -9.138  -0.072
 1624    HE2  PHE  64           HE2      PHE  64   3.217  -7.604   3.939
 1625    HZ   PHE  64           HZ       PHE  64   2.178  -9.046   2.210
 1626    H    GLY  65           H        GLY  65   6.232  -2.560  -0.550
 1627   1HA   GLY  65          1HA       GLY  65   9.106  -2.585  -1.027
 1628   2HA   GLY  65          2HA       GLY  65   7.976  -1.358  -1.595
 1629    H    ALA  66           H        ALA  66   6.971  -1.130   1.296
 1630    HA   ALA  66           HA       ALA  66   8.959   0.906   2.108
 1631   1HB   ALA  66          1HB       ALA  66   7.137   1.561   3.641
 1632   2HB   ALA  66          2HB       ALA  66   6.248   0.098   3.219
 1633   3HB   ALA  66          3HB       ALA  66   6.513   1.349   2.005
 1634    H    ILE  67           H        ILE  67   7.346  -1.954   3.558
 1635    HA   ILE  67           HA       ILE  67   8.499  -1.993   6.095
 1636    HB   ILE  67           HB       ILE  67   8.307  -4.507   5.837
 1637   1HG1  ILE  67          1HG1      ILE  67   7.036  -4.926   3.486
 1638   2HG1  ILE  67          2HG1      ILE  67   8.174  -3.679   2.985
 1639   1HG2  ILE  67          1HG2      ILE  67   6.072  -2.702   4.900
 1640   2HG2  ILE  67          2HG2      ILE  67   6.345  -3.339   6.523
 1641   3HG2  ILE  67          3HG2      ILE  67   5.836  -4.420   5.225
 1642   1HD1  ILE  67          1HD1      ILE  67   8.805  -6.310   3.066
 1643   2HD1  ILE  67          2HD1      ILE  67   9.285  -5.832   4.694
 1644   3HD1  ILE  67          3HD1      ILE  67   9.993  -5.027   3.294
 1645    H    PHE  68           H        PHE  68  10.058  -2.631   3.027
 1646    HA   PHE  68           HA       PHE  68  12.297  -4.132   3.642
 1647   1HB   PHE  68          1HB       PHE  68  11.728  -1.750   1.900
 1648   2HB   PHE  68          2HB       PHE  68  13.371  -2.373   1.969
 1649    HD1  PHE  68           HD1      PHE  68  10.814  -2.437  -0.136
 1650    HD2  PHE  68           HD2      PHE  68  13.006  -5.261   2.243
 1651    HE1  PHE  68           HE1      PHE  68  10.174  -4.252  -1.701
 1652    HE2  PHE  68           HE2      PHE  68  12.366  -7.075   0.681
 1653    HZ   PHE  68           HZ       PHE  68  10.950  -6.572  -1.292
 1654    H    ASN  69           H        ASN  69  13.596  -3.927   5.423
 1655    HA   ASN  69           HA       ASN  69  14.136  -1.262   6.591
 1656   1HB   ASN  69          1HB       ASN  69  14.774  -4.136   7.342
 1657   2HB   ASN  69          2HB       ASN  69  15.243  -2.751   8.330
 1658   1HD2  ASN  69          1HD2      ASN  69  13.521  -4.554   9.528
 1659   2HD2  ASN  69          2HD2      ASN  69  11.953  -3.911   9.617
 1660    H    HIS  70           H        HIS  70  16.562  -1.141   7.460
 1661    HA   HIS  70           HA       HIS  70  18.327  -1.503   5.078
 1662   1HB   HIS  70          1HB       HIS  70  18.067   0.766   5.967
 1663   2HB   HIS  70          2HB       HIS  70  18.483   0.210   7.588
 1664    HD1  HIS  70           HD1      HIS  70  20.081   0.187   4.114
 1665    HD2  HIS  70           HD2      HIS  70  21.173   0.501   8.124
 1666    HE1  HIS  70           HE1      HIS  70  22.585   0.569   4.147
 1667    H    SER  71           H        SER  71  19.598  -3.312   5.186
 1668    HA   SER  71           HA       SER  71  20.643  -4.131   7.877
 1669   1HB   SER  71          1HB       SER  71  18.862  -5.610   7.004
 1670   2HB   SER  71          2HB       SER  71  19.767  -5.822   5.504
 1671    HG   SER  71           HG       SER  71  19.986  -7.449   7.294
 1672    H    LYS  72           H        LYS  72  22.855  -4.268   7.955
 1673    HA   LYS  72           HA       LYS  72  24.586  -3.394   5.921
 1674   1HB   LYS  72          1HB       LYS  72  24.990  -5.362   8.203
 1675   2HB   LYS  72          2HB       LYS  72  26.310  -4.603   7.314
 1676   1HG   LYS  72          1HG       LYS  72  24.139  -3.000   8.680
 1677   2HG   LYS  72          2HG       LYS  72  25.633  -3.457   9.496
 1678   1HD   LYS  72          1HD       LYS  72  26.967  -2.226   7.938
 1679   2HD   LYS  72          2HD       LYS  72  25.606  -2.012   6.837
 1680   1HE   LYS  72          1HE       LYS  72  25.727  -0.857   9.648
 1681   2HE   LYS  72          2HE       LYS  72  26.066   0.056   8.167
 1682   1HZ   LYS  72          1HZ       LYS  72  23.532  -1.190   9.040
 1683   2HZ   LYS  72          2HZ       LYS  72  23.825  -0.919   7.389
 1684   3HZ   LYS  72          3HZ       LYS  72  23.800   0.388   8.473
 1685    H    ASP  73           H        ASP  73  23.076  -6.517   6.335
 1686    HA   ASP  73           HA       ASP  73  24.765  -7.637   4.127
 1687   1HB   ASP  73          1HB       ASP  73  24.003  -9.819   5.076
 1688   2HB   ASP  73          2HB       ASP  73  24.813  -8.828   6.290
 1689    HA   PRO  74           HA       PRO  74  20.458  -6.832   2.488
 1690   1HB   PRO  74          1HB       PRO  74  21.387  -5.901   0.037
 1691   2HB   PRO  74          2HB       PRO  74  20.976  -4.860   1.412
 1692   1HG   PRO  74          1HG       PRO  74  23.632  -5.790   0.460
 1693   2HG   PRO  74          2HG       PRO  74  23.168  -4.241   1.177
 1694   1HD   PRO  74          1HD       PRO  74  24.492  -6.184   2.544
 1695   2HD   PRO  74          2HD       PRO  74  23.392  -5.026   3.322
 1696    H    ASN  75           H        ASN  75  19.773  -8.866   1.985
 1697    HA   ASN  75           HA       ASN  75  21.345 -10.444  -0.015
 1698   1HB   ASN  75          1HB       ASN  75  19.263 -11.351   2.003
 1699   2HB   ASN  75          2HB       ASN  75  20.377 -12.375   1.105
 1700   1HD2  ASN  75          1HD2      ASN  75  20.298 -12.368   3.986
 1701   2HD2  ASN  75          2HD2      ASN  75  21.768 -11.735   4.552
 1702    H    ALA  76           H        ALA  76  19.021  -8.344  -0.336
 1703    HA   ALA  76           HA       ALA  76  17.564  -9.948  -2.363
 1704   1HB   ALA  76          1HB       ALA  76  16.524  -8.900   0.223
 1705   2HB   ALA  76          2HB       ALA  76  15.990 -10.295  -0.715
 1706   3HB   ALA  76          3HB       ALA  76  15.477  -8.672  -1.177
 1707    H    ARG  77           H        ARG  77  16.263  -8.517  -3.801
 1708    HA   ARG  77           HA       ARG  77  16.913  -5.615  -3.642
 1709   1HB   ARG  77          1HB       ARG  77  18.725  -6.651  -4.913
 1710   2HB   ARG  77          2HB       ARG  77  17.569  -7.514  -5.926
 1711   1HG   ARG  77          1HG       ARG  77  16.866  -5.533  -7.006
 1712   2HG   ARG  77          2HG       ARG  77  17.538  -4.502  -5.743
 1713   1HD   ARG  77          1HD       ARG  77  19.692  -4.655  -6.583
 1714   2HD   ARG  77          2HD       ARG  77  19.432  -6.285  -7.230
 1715    HE   ARG  77           HE       ARG  77  18.800  -3.775  -8.596
 1716   1HH1  ARG  77          1HH1      ARG  77  18.022  -7.152  -8.257
 1717   2HH1  ARG  77          2HH1      ARG  77  17.341  -7.266  -9.843
 1718   1HH2  ARG  77          1HH2      ARG  77  17.912  -3.949 -10.649
 1719   2HH2  ARG  77          2HH2      ARG  77  17.278  -5.468 -11.189
 1720    H    HIS  78           H        HIS  78  15.519  -4.337  -5.085
 1721    HA   HIS  78           HA       HIS  78  12.965  -5.765  -5.726
 1722   1HB   HIS  78          1HB       HIS  78  12.003  -3.467  -5.444
 1723   2HB   HIS  78          2HB       HIS  78  12.860  -4.014  -4.003
 1724    HD1  HIS  78           HD1      HIS  78  14.922  -2.705  -3.288
 1725    HD2  HIS  78           HD2      HIS  78  13.480  -1.508  -7.012
 1726    HE1  HIS  78           HE1      HIS  78  16.205  -0.614  -3.915
 1727    H    GLU  79           H        GLU  79  11.836  -5.056  -7.693
 1728    HA   GLU  79           HA       GLU  79  13.535  -3.645  -9.704
 1729   1HB   GLU  79          1HB       GLU  79  13.768  -6.190  -9.748
 1730   2HB   GLU  79          2HB       GLU  79  12.067  -6.254 -10.212
 1731   1HG   GLU  79          1HG       GLU  79  12.519  -4.936 -12.211
 1732   2HG   GLU  79          2HG       GLU  79  14.198  -4.711 -11.722
 1733    H    LEU  80           H        LEU  80  12.312  -2.424 -11.163
 1734    HA   LEU  80           HA       LEU  80   9.364  -2.361 -10.662
 1735   1HB   LEU  80          1HB       LEU  80  11.477  -0.400 -11.555
 1736   2HB   LEU  80          2HB       LEU  80   9.775  -0.072 -11.881
 1737    HG   LEU  80           HG       LEU  80  10.503  -0.927  -9.115
 1738   1HD1  LEU  80          1HD1      LEU  80  12.060   0.713  -8.929
 1739   2HD1  LEU  80          2HD1      LEU  80  10.692   1.825  -8.983
 1740   3HD1  LEU  80          3HD1      LEU  80  11.584   1.452 -10.458
 1741   1HD2  LEU  80          1HD2      LEU  80   8.170  -0.505  -9.742
 1742   2HD2  LEU  80          2HD2      LEU  80   8.598   1.109 -10.306
 1743   3HD2  LEU  80          3HD2      LEU  80   8.712   0.716  -8.591
 1744    H    THR  81           H        THR  81   7.956  -2.100 -12.555
 1745    HA   THR  81           HA       THR  81   8.934  -3.643 -14.879
 1746    HB   THR  81           HB       THR  81   6.494  -3.567 -15.450
 1747    HG1  THR  81           HG1      THR  81   5.865  -1.630 -14.660
 1748   1HG2  THR  81          1HG2      THR  81   6.695  -4.184 -12.515
 1749   2HG2  THR  81          2HG2      THR  81   7.629  -5.132 -13.671
 1750   3HG2  THR  81          3HG2      THR  81   5.870  -5.086 -13.786
 1751    H    ALA  82           H        ALA  82  10.398  -1.586 -15.312
 1752    HA   ALA  82           HA       ALA  82  10.832   0.309 -16.659
 1753   1HB   ALA  82          1HB       ALA  82   9.283   0.272 -18.729
 1754   2HB   ALA  82          2HB       ALA  82   8.510  -1.123 -17.976
 1755   3HB   ALA  82          3HB       ALA  82  10.217  -1.191 -18.415
 1756    H    GLY  83           H        GLY  83   9.043   0.699 -14.342
 1757   1HA   GLY  83          1HA       GLY  83   8.179   3.351 -14.772
 1758   2HA   GLY  83          2HA       GLY  83   6.784   2.312 -15.056
 1759    H    LEU  84           H        LEU  84   6.570   4.020 -12.963
 1760    HA   LEU  84           HA       LEU  84   7.394   2.605 -10.488
 1761   1HB   LEU  84          1HB       LEU  84   5.965   5.222 -11.081
 1762   2HB   LEU  84          2HB       LEU  84   6.409   4.682  -9.463
 1763    HG   LEU  84           HG       LEU  84   8.410   4.984 -11.715
 1764   1HD1  LEU  84          1HD1      LEU  84   8.472   6.929  -9.506
 1765   2HD1  LEU  84          2HD1      LEU  84   7.051   7.071 -10.540
 1766   3HD1  LEU  84          3HD1      LEU  84   8.665   7.191 -11.239
 1767   1HD2  LEU  84          1HD2      LEU  84   9.888   5.177  -9.552
 1768   2HD2  LEU  84          2HD2      LEU  84   9.363   3.585 -10.100
 1769   3HD2  LEU  84          3HD2      LEU  84   8.521   4.382  -8.771
 1770    H    LYS  85           H        LYS  85   5.364   1.426 -12.327
 1771    HA   LYS  85           HA       LYS  85   2.813   1.773 -10.880
 1772   1HB   LYS  85          1HB       LYS  85   3.779   0.368 -13.365
 1773   2HB   LYS  85          2HB       LYS  85   2.141   0.128 -12.757
 1774   1HG   LYS  85          1HG       LYS  85   2.291   2.830 -12.644
 1775   2HG   LYS  85          2HG       LYS  85   3.376   2.529 -13.997
 1776   1HD   LYS  85          1HD       LYS  85   1.684   1.457 -15.262
 1777   2HD   LYS  85          2HD       LYS  85   0.654   1.234 -13.848
 1778   1HE   LYS  85          1HE       LYS  85   1.321   4.057 -14.362
 1779   2HE   LYS  85          2HE       LYS  85   0.384   3.297 -15.662
 1780   1HZ   LYS  85          1HZ       LYS  85  -0.259   3.101 -12.762
 1781   2HZ   LYS  85          2HZ       LYS  85  -1.182   2.476 -14.044
 1782   3HZ   LYS  85          3HZ       LYS  85  -1.032   4.156 -13.846
 1783    H    ARG  86           H        ARG  86   4.404  -1.193 -12.094
 1784    HA   ARG  86           HA       ARG  86   3.455  -2.619  -9.660
 1785   1HB   ARG  86          1HB       ARG  86   3.663  -3.152 -12.437
 1786   2HB   ARG  86          2HB       ARG  86   4.820  -4.226 -11.650
 1787   1HG   ARG  86          1HG       ARG  86   2.635  -4.411  -9.983
 1788   2HG   ARG  86          2HG       ARG  86   1.878  -4.256 -11.568
 1789   1HD   ARG  86          1HD       ARG  86   3.853  -6.046 -12.148
 1790   2HD   ARG  86          2HD       ARG  86   3.495  -6.483 -10.467
 1791    HE   ARG  86           HE       ARG  86   1.392  -7.259 -11.208
 1792   1HH1  ARG  86          1HH1      ARG  86   2.712  -4.966 -13.472
 1793   2HH1  ARG  86          2HH1      ARG  86   1.411  -5.159 -14.595
 1794   1HH2  ARG  86          1HH2      ARG  86  -0.286  -7.492 -12.683
 1795   2HH2  ARG  86          2HH2      ARG  86  -0.275  -6.577 -14.154
 1796    H    MET  87           H        MET  87   4.973  -4.079  -8.539
 1797    HA   MET  87           HA       MET  87   7.867  -3.457  -8.940
 1798   1HB   MET  87          1HB       MET  87   6.139  -2.406  -6.928
 1799   2HB   MET  87          2HB       MET  87   7.210  -3.561  -6.134
 1800   1HG   MET  87          1HG       MET  87   8.216  -1.425  -8.028
 1801   2HG   MET  87          2HG       MET  87   8.097  -1.177  -6.287
 1802   1HE   MET  87          1HE       MET  87  10.433  -2.635  -4.527
 1803   2HE   MET  87          2HE       MET  87   9.650  -4.171  -4.900
 1804   3HE   MET  87          3HE       MET  87   8.681  -2.708  -4.720
 1805    H    ARG  88           H        ARG  88   9.173  -5.240  -8.547
 1806    HA   ARG  88           HA       ARG  88   7.850  -7.670  -7.381
 1807   1HB   ARG  88          1HB       ARG  88   9.959  -7.391  -9.557
 1808   2HB   ARG  88          2HB       ARG  88   9.316  -8.923  -8.965
 1809   1HG   ARG  88          1HG       ARG  88   7.302  -8.646 -10.036
 1810   2HG   ARG  88          2HG       ARG  88   7.326  -6.892  -9.848
 1811   1HD   ARG  88          1HD       ARG  88   8.055  -6.717 -11.988
 1812   2HD   ARG  88          2HD       ARG  88   9.526  -7.597 -11.531
 1813    HE   ARG  88           HE       ARG  88   8.564  -9.559 -12.446
 1814   1HH1  ARG  88          1HH1      ARG  88   6.139  -7.121 -11.907
 1815   2HH1  ARG  88          2HH1      ARG  88   4.892  -8.033 -12.684
 1816   1HH2  ARG  88          1HH2      ARG  88   6.927 -10.724 -13.450
 1817   2HH2  ARG  88          2HH2      ARG  88   5.332 -10.057 -13.551
 1818    H    ILE  89           H        ILE  89   9.587  -9.243  -6.503
 1819    HA   ILE  89           HA       ILE  89  11.899  -7.736  -5.332
 1820    HB   ILE  89           HB       ILE  89   9.965  -9.647  -3.967
 1821   1HG1  ILE  89          1HG1      ILE  89  10.451  -6.710  -3.415
 1822   2HG1  ILE  89          2HG1      ILE  89   9.176  -7.280  -4.491
 1823   1HG2  ILE  89          1HG2      ILE  89  12.471  -9.605  -3.263
 1824   2HG2  ILE  89          2HG2      ILE  89  11.248  -9.423  -2.005
 1825   3HG2  ILE  89          3HG2      ILE  89  12.102  -8.006  -2.617
 1826   1HD1  ILE  89          1HD1      ILE  89   8.087  -8.467  -2.718
 1827   2HD1  ILE  89          2HD1      ILE  89   8.473  -6.871  -2.075
 1828   3HD1  ILE  89          3HD1      ILE  89   9.470  -8.260  -1.643
 1829    H    PHE  90           H        PHE  90  13.778  -8.790  -5.793
 1830    HA   PHE  90           HA       PHE  90  13.653 -11.725  -6.397
 1831   1HB   PHE  90          1HB       PHE  90  15.192  -9.359  -7.422
 1832   2HB   PHE  90          2HB       PHE  90  15.949 -10.949  -7.514
 1833    HD1  PHE  90           HD1      PHE  90  13.612  -8.697  -9.033
 1834    HD2  PHE  90           HD2      PHE  90  14.577 -12.859  -8.591
 1835    HE1  PHE  90           HE1      PHE  90  12.258  -9.225 -11.043
 1836    HE2  PHE  90           HE2      PHE  90  13.223 -13.387 -10.600
 1837    HZ   PHE  90           HZ       PHE  90  12.063 -11.569 -11.827
 1838    H    THR  91           H        THR  91  16.126 -12.582  -6.082
 1839    HA   THR  91           HA       THR  91  17.010 -11.695  -3.354
 1840    HB   THR  91           HB       THR  91  17.607 -14.186  -3.122
 1841    HG1  THR  91           HG1      THR  91  16.590 -15.550  -4.574
 1842   1HG2  THR  91          1HG2      THR  91  15.292 -12.806  -2.580
 1843   2HG2  THR  91          2HG2      THR  91  15.614 -14.463  -2.067
 1844   3HG2  THR  91          3HG2      THR  91  14.691 -14.160  -3.538
 1845    H    ILE  92           H        ILE  92  18.770 -10.435  -4.135
 1846    HA   ILE  92           HA       ILE  92  20.543 -10.997  -6.227
 1847    HB   ILE  92           HB       ILE  92  22.096  -9.556  -4.922
 1848   1HG1  ILE  92          1HG1      ILE  92  20.093  -9.983  -2.686
 1849   2HG1  ILE  92          2HG1      ILE  92  21.730 -10.639  -2.728
 1850   1HG2  ILE  92          1HG2      ILE  92  19.326  -8.982  -5.526
 1851   2HG2  ILE  92          2HG2      ILE  92  20.730  -7.924  -5.661
 1852   3HG2  ILE  92          3HG2      ILE  92  19.854  -8.035  -4.134
 1853   1HD1  ILE  92          1HD1      ILE  92  20.923  -8.107  -1.759
 1854   2HD1  ILE  92          2HD1      ILE  92  21.798  -7.802  -3.260
 1855   3HD1  ILE  92          3HD1      ILE  92  22.573  -8.699  -1.954
 1856    H    LYS  93           H        LYS  93  20.310 -12.558  -3.101
 1857    HA   LYS  93           HA       LYS  93  22.463 -14.427  -3.945
 1858   1HB   LYS  93          1HB       LYS  93  23.640 -14.124  -1.834
 1859   2HB   LYS  93          2HB       LYS  93  23.408 -12.538  -2.565
 1860   1HG   LYS  93          1HG       LYS  93  21.542 -12.060  -1.109
 1861   2HG   LYS  93          2HG       LYS  93  21.550 -13.709  -0.481
 1862   1HD   LYS  93          1HD       LYS  93  22.717 -12.505   1.174
 1863   2HD   LYS  93          2HD       LYS  93  24.011 -13.193   0.195
 1864   1HE   LYS  93          1HE       LYS  93  23.089 -10.620  -0.858
 1865   2HE   LYS  93          2HE       LYS  93  23.723 -10.491   0.793
 1866   1HZ   LYS  93          1HZ       LYS  93  25.389 -10.453  -1.149
 1867   2HZ   LYS  93          2HZ       LYS  93  25.103 -12.124  -1.251
 1868   3HZ   LYS  93          3HZ       LYS  93  25.734 -11.455   0.177
 1869    HA   PRO  94           HA       PRO  94  19.826 -17.527  -2.350
 1870   1HB   PRO  94          1HB       PRO  94  22.127 -18.790  -0.982
 1871   2HB   PRO  94          2HB       PRO  94  21.094 -19.441  -2.264
 1872   1HG   PRO  94          1HG       PRO  94  23.638 -18.657  -2.696
 1873   2HG   PRO  94          2HG       PRO  94  22.382 -18.545  -3.930
 1874   1HD   PRO  94          1HD       PRO  94  23.616 -16.406  -2.285
 1875   2HD   PRO  94          2HD       PRO  94  22.969 -16.338  -3.938
 1876    H    ILE  95           H        ILE  95  18.699 -18.055  -0.465
 1877    HA   ILE  95           HA       ILE  95  19.727 -16.856   2.081
 1878    HB   ILE  95           HB       ILE  95  16.942 -16.723   0.864
 1879   1HG1  ILE  95          1HG1      ILE  95  18.777 -14.417   1.520
 1880   2HG1  ILE  95          2HG1      ILE  95  18.858 -15.235  -0.040
 1881   1HG2  ILE  95          1HG2      ILE  95  17.969 -16.296   3.589
 1882   2HG2  ILE  95          2HG2      ILE  95  16.312 -16.542   3.038
 1883   3HG2  ILE  95          3HG2      ILE  95  17.038 -14.937   2.961
 1884   1HD1  ILE  95          1HD1      ILE  95  16.300 -14.861  -0.148
 1885   2HD1  ILE  95          2HD1      ILE  95  17.340 -13.460  -0.409
 1886   3HD1  ILE  95          3HD1      ILE  95  16.554 -13.696   1.152
 1887    H    ALA  96           H        ALA  96  19.208 -18.053   3.948
 1888    HA   ALA  96           HA       ALA  96  18.144 -20.793   3.453
 1889   1HB   ALA  96          1HB       ALA  96  19.243 -21.230   5.646
 1890   2HB   ALA  96          2HB       ALA  96  19.630 -19.514   5.780
 1891   3HB   ALA  96          3HB       ALA  96  20.364 -20.486   4.505
 1892    H    ILE  97           H        ILE  97  16.654 -21.688   5.129
 1893    HA   ILE  97           HA       ILE  97  14.417 -19.957   5.650
 1894    HB   ILE  97           HB       ILE  97  15.228 -22.652   6.804
 1895   1HG1  ILE  97          1HG1      ILE  97  13.152 -22.694   4.794
 1896   2HG1  ILE  97          2HG1      ILE  97  14.590 -21.894   4.160
 1897   1HG2  ILE  97          1HG2      ILE  97  13.112 -20.957   7.535
 1898   2HG2  ILE  97          2HG2      ILE  97  13.265 -22.673   7.914
 1899   3HG2  ILE  97          3HG2      ILE  97  12.384 -22.164   6.474
 1900   1HD1  ILE  97          1HD1      ILE  97  14.814 -24.491   5.674
 1901   2HD1  ILE  97          2HD1      ILE  97  15.950 -23.784   4.525
 1902   3HD1  ILE  97          3HD1      ILE  97  14.435 -24.482   3.952
 1903    H    GLY  98           H        GLY  98  14.537 -18.319   7.146
 1904   1HA   GLY  98          1HA       GLY  98  14.406 -17.963   9.632
 1905   2HA   GLY  98          2HA       GLY  98  15.869 -18.938   9.753
 1906    H    GLU  99           H        GLU  99  15.502 -16.643   7.136
 1907    HA   GLU  99           HA       GLU  99  17.603 -14.942   8.437
 1908   1HB   GLU  99          1HB       GLU  99  16.953 -15.664   5.562
 1909   2HB   GLU  99          2HB       GLU  99  18.098 -14.390   5.984
 1910   1HG   GLU  99          1HG       GLU  99  18.399 -17.092   7.252
 1911   2HG   GLU  99          2HG       GLU  99  18.948 -16.863   5.591
 1912    H    GLU 100           H        GLU 100  17.493 -12.610   7.267
 1913    HA   GLU 100           HA       GLU 100  14.617 -11.764   7.379
 1914   1HB   GLU 100          1HB       GLU 100  15.991 -10.965   9.255
 1915   2HB   GLU 100          2HB       GLU 100  17.178 -10.306   8.128
 1916   1HG   GLU 100          1HG       GLU 100  15.560  -8.717   7.264
 1917   2HG   GLU 100          2HG       GLU 100  14.266  -9.457   8.205
 1918    H    ILE 101           H        ILE 101  13.833 -10.629   5.651
 1919    HA   ILE 101           HA       ILE 101  15.694 -10.133   3.381
 1920    HB   ILE 101           HB       ILE 101  12.661 -10.150   3.563
 1921   1HG1  ILE 101          1HG1      ILE 101  14.628 -12.281   2.692
 1922   2HG1  ILE 101          2HG1      ILE 101  13.590 -12.336   4.115
 1923   1HG2  ILE 101          1HG2      ILE 101  14.590 -10.138   1.228
 1924   2HG2  ILE 101          2HG2      ILE 101  13.430  -8.877   1.646
 1925   3HG2  ILE 101          3HG2      ILE 101  12.860 -10.446   1.077
 1926   1HD1  ILE 101          1HD1      ILE 101  11.592 -12.324   2.705
 1927   2HD1  ILE 101          2HD1      ILE 101  12.652 -13.642   2.208
 1928   3HD1  ILE 101          3HD1      ILE 101  12.586 -12.158   1.258
 1929    H    THR 102           H        THR 102  16.322  -8.111   2.953
 1930    HA   THR 102           HA       THR 102  14.571  -5.783   3.463
 1931    HB   THR 102           HB       THR 102  16.541  -4.760   4.778
 1932    HG1  THR 102           HG1      THR 102  17.729  -6.625   5.805
 1933   1HG2  THR 102          1HG2      THR 102  15.247  -7.193   6.039
 1934   2HG2  THR 102          2HG2      THR 102  14.405  -5.664   5.786
 1935   3HG2  THR 102          3HG2      THR 102  15.802  -5.734   6.860
 1936    H    ILE 103           H        ILE 103  15.815  -3.737   2.632
 1937    HA   ILE 103           HA       ILE 103  17.921  -4.406   0.639
 1938    HB   ILE 103           HB       ILE 103  16.594  -3.378  -1.160
 1939   1HG1  ILE 103          1HG1      ILE 103  14.014  -3.223  -0.013
 1940   2HG1  ILE 103          2HG1      ILE 103  15.093  -2.368   1.088
 1941   1HG2  ILE 103          1HG2      ILE 103  14.913  -5.095  -1.397
 1942   2HG2  ILE 103          2HG2      ILE 103  14.867  -5.360   0.346
 1943   3HG2  ILE 103          3HG2      ILE 103  16.298  -5.817  -0.578
 1944   1HD1  ILE 103          1HD1      ILE 103  14.149  -1.568  -1.538
 1945   2HD1  ILE 103          2HD1      ILE 103  15.911  -1.589  -1.484
 1946   3HD1  ILE 103          3HD1      ILE 103  15.005  -0.615  -0.327
 1947    H    SER 104           H        SER 104  18.867  -2.375  -0.311
 1948    HA   SER 104           HA       SER 104  19.098  -0.299   1.780
 1949   1HB   SER 104          1HB       SER 104  20.858  -1.534   0.140
 1950   2HB   SER 104          2HB       SER 104  20.480  -0.134  -0.864
 1951    HG   SER 104           HG       SER 104  22.185   0.368   0.499
 1952    H    TYR 105           H        TYR 105  19.632   1.956   0.253
 1953    HA   TYR 105           HA       TYR 105  17.032   2.457  -1.164
 1954   1HB   TYR 105          1HB       TYR 105  18.686   4.364   0.533
 1955   2HB   TYR 105          2HB       TYR 105  17.091   4.683  -0.145
 1956    HD1  TYR 105           HD1      TYR 105  15.706   2.109   0.362
 1957    HD2  TYR 105           HD2      TYR 105  18.352   4.386   2.865
 1958    HE1  TYR 105           HE1      TYR 105  14.656   1.115   2.377
 1959    HE2  TYR 105           HE2      TYR 105  17.302   3.393   4.879
 1960    HH   TYR 105           HH       TYR 105  14.400   1.482   4.684
 1961    H    GLY 106           H        GLY 106  20.151   4.171  -0.728
 1962   1HA   GLY 106          1HA       GLY 106  21.179   3.832  -3.321
 1963   2HA   GLY 106          2HA       GLY 106  20.124   5.243  -3.398
 1964    H    ASP 107           H        ASP 107  23.041   5.213  -3.686
 1965    HA   ASP 107           HA       ASP 107  24.519   5.971  -1.426
 1966   1HB   ASP 107          1HB       ASP 107  25.889   7.213  -3.087
 1967   2HB   ASP 107          2HB       ASP 107  25.378   5.653  -3.732
 1968    H    ASP 108           H        ASP 108  21.987   7.729  -3.076
 1969    HA   ASP 108           HA       ASP 108  22.646  10.306  -1.810
 1970   1HB   ASP 108          1HB       ASP 108  21.001   9.228  -3.945
 1971   2HB   ASP 108          2HB       ASP 108  20.037  10.286  -2.914
 1972    H    TYR 109           H        TYR 109  19.851   8.056  -1.694
 1973    HA   TYR 109           HA       TYR 109  18.674   9.309   0.629
 1974   1HB   TYR 109          1HB       TYR 109  17.813   7.685  -1.320
 1975   2HB   TYR 109          2HB       TYR 109  18.181   6.448  -0.119
 1976    HD1  TYR 109           HD1      TYR 109  16.436   5.830   1.284
 1977    HD2  TYR 109           HD2      TYR 109  16.586   9.852  -0.215
 1978    HE1  TYR 109           HE1      TYR 109  14.322   6.350   2.469
 1979    HE2  TYR 109           HE2      TYR 109  14.471  10.372   0.971
 1980    HH   TYR 109           HH       TYR 109  12.355   8.476   1.865
 1981    H    TRP 110           H        TRP 110  21.120   9.095   1.618
 1982    HA   TRP 110           HA       TRP 110  20.918   7.447   3.930
 1983   1HB   TRP 110          1HB       TRP 110  21.790   6.133   1.497
 1984   2HB   TRP 110          2HB       TRP 110  23.085   6.094   2.694
 1985    HD1  TRP 110           HD1      TRP 110  20.791   3.771   1.683
 1986    HE1  TRP 110           HE1      TRP 110  19.715   2.403   3.585
 1987    HE3  TRP 110           HE3      TRP 110  21.857   6.795   5.657
 1988    HZ2  TRP 110           HZ2      TRP 110  19.354   2.571   6.419
 1989    HZ3  TRP 110           HZ3      TRP 110  21.137   6.168   7.944
 1990    HH2  TRP 110           HH2      TRP 110  19.888   4.062   8.330
 1991    H    LEU 111           H        LEU 111  23.616   6.901   4.450
 1992    HA   LEU 111           HA       LEU 111  24.649   9.432   5.227
 1993   1HB   LEU 111          1HB       LEU 111  25.278   6.652   5.417
 1994   2HB   LEU 111          2HB       LEU 111  26.735   7.478   4.865
 1995    HG   LEU 111           HG       LEU 111  25.241   8.819   7.050
 1996   1HD1  LEU 111          1HD1      LEU 111  25.627   7.281   8.717
 1997   2HD1  LEU 111          2HD1      LEU 111  27.041   6.604   7.908
 1998   3HD1  LEU 111          3HD1      LEU 111  25.421   6.155   7.376
 1999   1HD2  LEU 111          1HD2      LEU 111  27.733   8.863   7.861
 2000   2HD2  LEU 111          2HD2      LEU 111  27.264   9.856   6.481
 2001   3HD2  LEU 111          3HD2      LEU 111  28.090   8.319   6.221
 2002    H    SER 112           H        SER 112  27.323   9.467   4.419
 2003    HA   SER 112           HA       SER 112  27.122   9.941   1.462
 2004   1HB   SER 112          1HB       SER 112  28.236  12.003   1.797
 2005   2HB   SER 112          2HB       SER 112  27.158  11.910   3.190
 2006    HG   SER 112           HG       SER 112  29.419  12.436   3.633
 2007    H    ARG 113           H        ARG 113  28.800   9.080   0.254
 2008    HA   ARG 113           HA       ARG 113  30.702   7.755  -0.213
 2009   1HB   ARG 113          1HB       ARG 113  31.360   9.768   1.873
 2010   2HB   ARG 113          2HB       ARG 113  32.530   8.461   1.688
 2011   1HG   ARG 113          1HG       ARG 113  32.895   8.974  -0.608
 2012   2HG   ARG 113          2HG       ARG 113  31.463  10.000  -0.685
 2013   1HD   ARG 113          1HD       ARG 113  32.763  11.331   1.241
 2014   2HD   ARG 113          2HD       ARG 113  34.169  10.608   0.435
 2015    HE   ARG 113           HE       ARG 113  32.636  11.524  -1.671
 2016   1HH1  ARG 113          1HH1      ARG 113  33.854  12.974   1.250
 2017   2HH1  ARG 113          2HH1      ARG 113  33.963  14.552   0.552
 2018   1HH2  ARG 113          1HH2      ARG 113  32.785  13.582  -2.554
 2019   2HH2  ARG 113          2HH2      ARG 113  33.362  14.896  -1.585
 2020    HA   PRO 114           HA       PRO 114  29.624   5.040   3.508
 2021   1HB   PRO 114          1HB       PRO 114  28.102   3.193   2.130
 2022   2HB   PRO 114          2HB       PRO 114  27.416   4.592   2.975
 2023   1HG   PRO 114          1HG       PRO 114  27.958   4.198   0.078
 2024   2HG   PRO 114          2HG       PRO 114  26.623   5.044   0.872
 2025   1HD   PRO 114          1HD       PRO 114  28.755   6.306  -0.283
 2026   2HD   PRO 114          2HD       PRO 114  27.807   6.994   1.052
 2027    H    ARG 115           H        ARG 115  31.106   3.428   3.885
 2028    HA   ARG 115           HA       ARG 115  32.257   2.012   1.507
 2029   1HB   ARG 115          1HB       ARG 115  33.735   2.983   3.975
 2030   2HB   ARG 115          2HB       ARG 115  34.450   2.321   2.508
 2031   1HG   ARG 115          1HG       ARG 115  32.944   4.941   2.771
 2032   2HG   ARG 115          2HG       ARG 115  34.662   4.737   2.447
 2033   1HD   ARG 115          1HD       ARG 115  33.304   3.231   0.458
 2034   2HD   ARG 115          2HD       ARG 115  32.491   4.803   0.554
 2035    HE   ARG 115           HE       ARG 115  35.294   5.262   0.697
 2036   1HH1  ARG 115          1HH1      ARG 115  32.906   4.090  -1.549
 2037   2HH1  ARG 115          2HH1      ARG 115  33.796   4.614  -2.936
 2038   1HH2  ARG 115          1HH2      ARG 115  36.429   5.931  -1.117
 2039   2HH2  ARG 115          2HH2      ARG 115  35.776   5.649  -2.696
 2040    H    LEU 116           H        LEU 116  30.381   0.558   2.546
 2041    HA   LEU 116           HA       LEU 116  31.023  -0.854   4.999
 2042   1HB   LEU 116          1HB       LEU 116  28.872  -0.522   3.222
 2043   2HB   LEU 116          2HB       LEU 116  29.275  -2.235   3.113
 2044    HG   LEU 116           HG       LEU 116  27.631  -1.819   4.913
 2045   1HD1  LEU 116          1HD1      LEU 116  29.280  -3.652   5.153
 2046   2HD1  LEU 116          2HD1      LEU 116  28.857  -2.959   6.719
 2047   3HD1  LEU 116          3HD1      LEU 116  30.389  -2.539   5.954
 2048   1HD2  LEU 116          1HD2      LEU 116  29.311   0.432   5.387
 2049   2HD2  LEU 116          2HD2      LEU 116  29.362  -0.576   6.833
 2050   3HD2  LEU 116          3HD2      LEU 116  27.815   0.005   6.217
 2051    H    THR 117           H        THR 117  31.391  -1.606   1.524
 2052    HA   THR 117           HA       THR 117  33.344  -3.736   2.294
 2053    HB   THR 117           HB       THR 117  31.283  -4.068   0.103
 2054    HG1  THR 117           HG1      THR 117  30.086  -3.754   1.935
 2055   1HG2  THR 117          1HG2      THR 117  31.878  -6.488   1.399
 2056   2HG2  THR 117          2HG2      THR 117  33.421  -5.641   1.283
 2057   3HG2  THR 117          3HG2      THR 117  32.479  -5.961  -0.173
 2058    H    GLN 118           H        GLN 118  34.765  -4.335   0.445
 2059    HA   GLN 118           HA       GLN 118  35.662  -1.998  -1.029
 2060   1HB   GLN 118          1HB       GLN 118  36.431  -4.813  -0.529
 2061   2HB   GLN 118          2HB       GLN 118  36.958  -4.180  -2.088
 2062   1HG   GLN 118          1HG       GLN 118  37.426  -2.778   0.560
 2063   2HG   GLN 118          2HG       GLN 118  38.619  -3.803  -0.238
 2064   1HE2  GLN 118          1HE2      GLN 118  38.615  -3.105  -2.844
 2065   2HE2  GLN 118          2HE2      GLN 118  38.873  -1.441  -3.064
 2066    H    ASN 119           H        ASN 119  33.215  -1.998  -1.974
 2067    HA   ASN 119           HA       ASN 119  33.064  -3.696  -4.418
 2068   1HB   ASN 119          1HB       ASN 119  31.182  -3.471  -2.731
 2069   2HB   ASN 119          2HB       ASN 119  31.047  -1.776  -3.201
 2070   1HD2  ASN 119          1HD2      ASN 119  28.959  -1.977  -4.224
 2071   2HD2  ASN 119          2HD2      ASN 119  28.725  -2.880  -5.643
 2072   1H    GLY 201          1H        GLY 201  30.460  41.464   4.860
 2073   2H    GLY 201          2H        GLY 201  30.663  42.062   6.436
 2074   3H    GLY 201          3H        GLY 201  29.111  41.981   5.752
 2075   1HA   GLY 201          1HA       GLY 201  30.704  39.525   6.045
 2076   2HA   GLY 201          2HA       GLY 201  29.837  40.180   7.433
 2077    H    LYS 202           H        LYS 202  28.908  40.216   3.991
 2078    HA   LYS 202           HA       LYS 202  26.366  38.844   4.779
 2079   1HB   LYS 202          1HB       LYS 202  26.231  41.125   3.820
 2080   2HB   LYS 202          2HB       LYS 202  27.116  40.580   2.395
 2081   1HG   LYS 202          1HG       LYS 202  24.820  38.873   2.985
 2082   2HG   LYS 202          2HG       LYS 202  24.347  40.550   2.709
 2083   1HD   LYS 202          1HD       LYS 202  26.374  39.584   0.814
 2084   2HD   LYS 202          2HD       LYS 202  24.853  38.696   0.724
 2085   1HE   LYS 202          1HE       LYS 202  23.617  40.827   0.476
 2086   2HE   LYS 202          2HE       LYS 202  25.147  41.720   0.566
 2087   1HZ   LYS 202          1HZ       LYS 202  24.674  39.515  -1.365
 2088   2HZ   LYS 202          2HZ       LYS 202  25.941  40.646  -1.369
 2089   3HZ   LYS 202          3HZ       LYS 202  24.360  41.141  -1.746
 2090    H    ALA 203           H        ALA 203  26.878  36.648   4.498
 2091    HA   ALA 203           HA       ALA 203  27.250  35.751   1.710
 2092   1HB   ALA 203          1HB       ALA 203  29.252  34.341   2.563
 2093   2HB   ALA 203          2HB       ALA 203  29.269  35.436   3.945
 2094   3HB   ALA 203          3HB       ALA 203  29.536  36.065   2.319
 2095    HA   PRO 204           HA       PRO 204  24.848  33.066   4.777
 2096   1HB   PRO 204          1HB       PRO 204  22.435  33.225   3.417
 2097   2HB   PRO 204          2HB       PRO 204  22.876  34.264   4.784
 2098   1HG   PRO 204          1HG       PRO 204  22.933  34.834   1.868
 2099   2HG   PRO 204          2HG       PRO 204  22.528  35.901   3.219
 2100   1HD   PRO 204          1HD       PRO 204  24.913  35.979   1.909
 2101   2HD   PRO 204          2HD       PRO 204  24.721  36.440   3.613
 2102    H    ARG 205           H        ARG 205  24.144  30.885   4.253
 2103    HA   ARG 205           HA       ARG 205  24.231  30.069   1.400
 2104   1HB   ARG 205          1HB       ARG 205  25.996  28.372   1.984
 2105   2HB   ARG 205          2HB       ARG 205  26.561  30.034   2.155
 2106   1HG   ARG 205          1HG       ARG 205  25.317  29.148   4.612
 2107   2HG   ARG 205          2HG       ARG 205  26.580  28.016   4.130
 2108   1HD   ARG 205          1HD       ARG 205  27.451  30.767   3.733
 2109   2HD   ARG 205          2HD       ARG 205  26.976  30.479   5.417
 2110    HE   ARG 205           HE       ARG 205  28.477  28.229   4.506
 2111   1HH1  ARG 205          1HH1      ARG 205  28.889  31.604   5.255
 2112   2HH1  ARG 205          2HH1      ARG 205  30.549  31.414   5.703
 2113   1HH2  ARG 205          1HH2      ARG 205  30.633  28.009   5.093
 2114   2HH2  ARG 205          2HH2      ARG 205  31.530  29.396   5.613
 2115    H    LYS 206           H        LYS 206  22.346  30.054   3.855
 2116    HA   LYS 206           HA       LYS 206  21.741  27.113   3.802
 2117   1HB   LYS 206          1HB       LYS 206  22.467  28.625   5.942
 2118   2HB   LYS 206          2HB       LYS 206  20.719  28.861   5.987
 2119   1HG   LYS 206          1HG       LYS 206  20.819  26.184   5.561
 2120   2HG   LYS 206          2HG       LYS 206  22.313  26.403   6.473
 2121   1HD   LYS 206          1HD       LYS 206  19.676  27.568   7.389
 2122   2HD   LYS 206          2HD       LYS 206  20.205  25.952   7.857
 2123   1HE   LYS 206          1HE       LYS 206  22.294  27.993   8.218
 2124   2HE   LYS 206          2HE       LYS 206  20.856  28.266   9.220
 2125   1HZ   LYS 206          1HZ       LYS 206  20.939  25.876   9.810
 2126   2HZ   LYS 206          2HZ       LYS 206  22.302  26.732  10.352
 2127   3HZ   LYS 206          3HZ       LYS 206  22.413  25.742   8.977
 2128    H    GLN 207           H        GLN 207  20.769  29.087   1.865
 2129    HA   GLN 207           HA       GLN 207  17.866  29.209   2.611
 2130   1HB   GLN 207          1HB       GLN 207  19.806  31.035   1.381
 2131   2HB   GLN 207          2HB       GLN 207  18.329  30.886   0.430
 2132   1HG   GLN 207          1HG       GLN 207  17.995  32.675   2.021
 2133   2HG   GLN 207          2HG       GLN 207  17.022  31.302   2.550
 2134   1HE2  GLN 207          1HE2      GLN 207  17.323  30.686   4.699
 2135   2HE2  GLN 207          2HE2      GLN 207  18.674  31.085   5.645
 2136    H    LEU 208           H        LEU 208  20.146  28.527  -0.052
 2137    HA   LEU 208           HA       LEU 208  18.076  26.732  -1.246
 2138   1HB   LEU 208          1HB       LEU 208  18.546  29.258  -2.162
 2139   2HB   LEU 208          2HB       LEU 208  19.741  28.359  -3.098
 2140    HG   LEU 208           HG       LEU 208  17.104  27.055  -2.972
 2141   1HD1  LEU 208          1HD1      LEU 208  17.445  29.743  -4.335
 2142   2HD1  LEU 208          2HD1      LEU 208  16.310  29.358  -3.041
 2143   3HD1  LEU 208          3HD1      LEU 208  16.106  28.636  -4.637
 2144   1HD2  LEU 208          1HD2      LEU 208  18.016  26.127  -4.808
 2145   2HD2  LEU 208          2HD2      LEU 208  19.412  27.192  -4.645
 2146   3HD2  LEU 208          3HD2      LEU 208  18.024  27.700  -5.607
 2147    H    ALA 209           H        ALA 209  20.636  26.295   0.275
 2148    HA   ALA 209           HA       ALA 209  22.327  25.054  -1.857
 2149   1HB   ALA 209          1HB       ALA 209  23.305  26.707  -0.247
 2150   2HB   ALA 209          2HB       ALA 209  24.063  25.120  -0.115
 2151   3HB   ALA 209          3HB       ALA 209  22.871  25.630   1.080
 2152    H    THR 210           H        THR 210  19.799  23.845  -0.900
 2153    HA   THR 210           HA       THR 210  20.929  21.354   0.338
 2154    HB   THR 210           HB       THR 210  18.758  21.190   1.518
 2155    HG1  THR 210           HG1      THR 210  17.219  22.193   0.506
 2156   1HG2  THR 210          1HG2      THR 210  20.797  22.824   2.172
 2157   2HG2  THR 210          2HG2      THR 210  19.340  22.693   3.157
 2158   3HG2  THR 210          3HG2      THR 210  19.517  24.026   2.016
 2159    H    LYS 211           H        LYS 211  19.444  19.420  -0.147
 2160    HA   LYS 211           HA       LYS 211  18.054  19.690  -2.780
 2161   1HB   LYS 211          1HB       LYS 211  19.288  17.623  -3.489
 2162   2HB   LYS 211          2HB       LYS 211  20.371  18.980  -3.179
 2163   1HG   LYS 211          1HG       LYS 211  20.851  18.106  -0.934
 2164   2HG   LYS 211          2HG       LYS 211  19.729  16.771  -1.199
 2165   1HD   LYS 211          1HD       LYS 211  21.502  15.622  -2.007
 2166   2HD   LYS 211          2HD       LYS 211  21.400  16.672  -3.422
 2167   1HE   LYS 211          1HE       LYS 211  23.151  18.036  -2.698
 2168   2HE   LYS 211          2HE       LYS 211  22.875  17.650  -0.988
 2169   1HZ   LYS 211          1HZ       LYS 211  23.648  15.426  -1.356
 2170   2HZ   LYS 211          2HZ       LYS 211  24.827  16.488  -1.962
 2171   3HZ   LYS 211          3HZ       LYS 211  23.779  15.684  -3.029
 2172    H    ALA 212           H        ALA 212  16.623  17.807  -3.214
 2173    HA   ALA 212           HA       ALA 212  15.799  16.392  -0.698
 2174   1HB   ALA 212          1HB       ALA 212  13.613  16.684  -2.506
 2175   2HB   ALA 212          2HB       ALA 212  14.430  18.245  -2.433
 2176   3HB   ALA 212          3HB       ALA 212  13.834  17.492  -0.954
 2177    H    ALA 213           H        ALA 213  17.205  14.605  -1.538
 2178    HA   ALA 213           HA       ALA 213  16.219  13.257  -3.998
 2179   1HB   ALA 213          1HB       ALA 213  18.399  12.636  -4.136
 2180   2HB   ALA 213          2HB       ALA 213  18.361  11.954  -2.510
 2181   3HB   ALA 213          3HB       ALA 213  18.704  13.669  -2.740
 2182    H    ARG 214           H        ARG 214  15.369  11.124  -3.932
 2183    HA   ARG 214           HA       ARG 214  14.503  10.204  -1.215
 2184   1HB   ARG 214          1HB       ARG 214  13.353   9.751  -3.992
 2185   2HB   ARG 214          2HB       ARG 214  12.638   9.161  -2.492
 2186   1HG   ARG 214          1HG       ARG 214  13.064  11.875  -2.011
 2187   2HG   ARG 214          2HG       ARG 214  12.505  11.823  -3.683
 2188   1HD   ARG 214          1HD       ARG 214  10.519  10.551  -3.022
 2189   2HD   ARG 214          2HD       ARG 214  11.100  10.472  -1.347
 2190    HE   ARG 214           HE       ARG 214   9.888  12.795  -2.620
 2191   1HH1  ARG 214          1HH1      ARG 214  12.209  11.728  -0.256
 2192   2HH1  ARG 214          2HH1      ARG 214  12.103  13.186   0.668
 2193   1HH2  ARG 214          1HH2      ARG 214   9.768  14.679  -1.404
 2194   2HH2  ARG 214          2HH2      ARG 214  10.733  14.845   0.025
 2195   1HN   MLZ 215          1HN       MLZ 215  13.721   7.606  -2.025
 2196    HA   MLZ 215           HA       MLZ 215  16.153   6.135  -1.783
 2197   1HB   MLZ 215          1HB       MLZ 215  13.318   5.502  -2.642
 2198   2HB   MLZ 215          2HB       MLZ 215  14.547   4.242  -2.529
 2199   1HG   MLZ 215          1HG       MLZ 215  13.679   6.093  -0.286
 2200   2HG   MLZ 215          2HG       MLZ 215  14.958   4.886  -0.164
 2201   1HD   MLZ 215          1HD       MLZ 215  12.091   4.246  -0.912
 2202   2HD   MLZ 215          2HD       MLZ 215  13.381   3.090  -0.581
 2203   1HE   MLZ 215          1HE       MLZ 215  11.780   4.735   1.329
 2204   2HE   MLZ 215          2HE       MLZ 215  13.486   4.463   1.729
 2205    HZ   MLZ 215           HZ       MLZ 215  13.124   2.082   1.237
 2206   1HCM  MLZ 215          1HCM      MLZ 215  11.404   3.329   3.309
 2207   2HCM  MLZ 215          2HCM      MLZ 215  13.061   2.760   3.502
 2208   3HCM  MLZ 215          3HCM      MLZ 215  11.757   1.603   3.236
 2209    H    SER 216           H        SER 216  17.704   5.901  -3.337
 2210    HA   SER 216           HA       SER 216  18.708   5.634  -5.457
 2211   1HB   SER 216          1HB       SER 216  16.806   6.882  -7.134
 2212   2HB   SER 216          2HB       SER 216  16.654   7.688  -5.572
 2213    HG   SER 216           HG       SER 216  18.632   8.437  -5.735
 2214    H    ALA 217           H        ALA 217  18.299   4.631  -7.669
 2215    HA   ALA 217           HA       ALA 217  15.968   2.743  -7.583
 2216   1HB   ALA 217          1HB       ALA 217  15.562   3.532  -9.668
 2217   2HB   ALA 217          2HB       ALA 217  17.160   2.991 -10.183
 2218   3HB   ALA 217          3HB       ALA 217  16.949   4.612  -9.521
 2219    HA   PRO 218           HA       PRO 218  18.649  -0.727  -7.644
 2220   1HB   PRO 218          1HB       PRO 218  17.766  -2.160  -9.875
 2221   2HB   PRO 218          2HB       PRO 218  17.014  -2.218  -8.271
 2222   1HG   PRO 218          1HG       PRO 218  16.204  -0.707 -10.696
 2223   2HG   PRO 218          2HG       PRO 218  15.203  -1.458  -9.446
 2224   1HD   PRO 218          1HD       PRO 218  15.632   1.215  -9.586
 2225   2HD   PRO 218          2HD       PRO 218  15.356   0.363  -8.052
 2226    H    ALA 219           H        ALA 219  18.159  -0.615 -11.163
 2227    HA   ALA 219           HA       ALA 219  20.624   0.770 -11.768
 2228   1HB   ALA 219          1HB       ALA 219  20.689  -2.236 -12.133
 2229   2HB   ALA 219          2HB       ALA 219  21.281  -1.470 -10.659
 2230   3HB   ALA 219          3HB       ALA 219  22.040  -1.105 -12.209
 2231    H    THR 220           H        THR 220  17.953   0.853 -12.784
 2232    HA   THR 220           HA       THR 220  17.852  -0.622 -15.317
 2233    HB   THR 220           HB       THR 220  15.848   1.120 -15.504
 2234    HG1  THR 220           HG1      THR 220  15.580   2.299 -13.802
 2235   1HG2  THR 220          1HG2      THR 220  14.506  -0.535 -14.623
 2236   2HG2  THR 220          2HG2      THR 220  15.533  -0.759 -13.206
 2237   3HG2  THR 220          3HG2      THR 220  16.009  -1.448 -14.758
 2238    H    GLY 221           H        GLY 221  20.196   0.649 -15.541
 2239   1HA   GLY 221          1HA       GLY 221  21.396   2.136 -16.902
 2240   2HA   GLY 221          2HA       GLY 221  19.904   2.344 -17.819
 2241   1HN   SAH 301          1HN       SAH 301 -10.872  -1.432  -9.219
 2242   2HN   SAH 301          2HN       SAH 301  -9.234  -1.010  -9.379
 2243    HA   SAH 301           HA       SAH 301 -11.374   1.043  -9.287
 2244   1HB   SAH 301          1HB       SAH 301 -10.563  -0.832  -7.293
 2245   2HB   SAH 301          2HB       SAH 301  -9.911   0.741  -6.834
 2246   1HG   SAH 301          1HG       SAH 301 -12.355   0.093  -6.113
 2247   2HG   SAH 301          2HG       SAH 301 -12.758   0.535  -7.771
 2248   1H5*  SAH 301          1H5*      SAH 301 -14.297   1.851  -6.928
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.166   3.295  -5.924
 2250    H4*  SAH 301           H4*      SAH 301 -13.030   4.229  -8.098
 2251    H3*  SAH 301           H3*      SAH 301 -15.639   4.296  -6.861
 2252   *HO3  SAH 301          *HO3      SAH 301 -15.558   6.406  -7.666
 2253    H2*  SAH 301           H2*      SAH 301 -17.004   3.782  -8.556
 2254   *HO2  SAH 301          *HO2      SAH 301 -15.777   5.255 -10.541
 2255    H1*  SAH 301           H1*      SAH 301 -15.177   3.458 -10.766
 2256    H8   SAH 301           H8       SAH 301 -15.473   0.632  -8.278
 2257   1HN6  SAH 301          1HN6      SAH 301 -20.049  -1.527 -10.985
 2258   2HN6  SAH 301          2HN6      SAH 301 -20.487  -0.725  -9.494
 2259    H2   SAH 301           H2       SAH 301 -19.363   2.803 -12.869
 2260   1HN   SAH 302          1HN       SAH 302  10.271  -1.489   9.047
 2261   2HN   SAH 302          2HN       SAH 302   8.635  -1.036   9.107
 2262    HA   SAH 302           HA       SAH 302  10.820   0.970   9.131
 2263   1HB   SAH 302          1HB       SAH 302  10.087  -0.901   7.103
 2264   2HB   SAH 302          2HB       SAH 302   9.494   0.681   6.595
 2265   1HG   SAH 302          1HG       SAH 302  11.963  -0.021   6.023
 2266   2HG   SAH 302          2HG       SAH 302  12.277   0.426   7.699
 2267   1H5*  SAH 302          1H5*      SAH 302  13.888   1.706   6.939
 2268   2H5*  SAH 302          2H5*      SAH 302  13.846   3.143   5.918
 2269    H4*  SAH 302           H4*      SAH 302  12.602   4.118   8.013
 2270    H3*  SAH 302           H3*      SAH 302  15.280   4.124   6.932
 2271   *HO3  SAH 302          *HO3      SAH 302  15.194   6.242   7.716
 2272    H2*  SAH 302           H2*      SAH 302  16.533   3.598   8.709
 2273   *HO2  SAH 302          *HO2      SAH 302  15.220   5.111  10.607
 2274    H1*  SAH 302           H1*      SAH 302  14.573   3.329  10.810
 2275    H8   SAH 302           H8       SAH 302  14.959   0.476   8.364
 2276   1HN6  SAH 302          1HN6      SAH 302  19.324  -1.747  11.354
 2277   2HN6  SAH 302          2HN6      SAH 302  19.865  -0.967   9.885
 2278    H2   SAH 302           H2       SAH 302  18.614   2.612  13.161
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1   0.529 -12.493  -5.698
    2   2H    MET   1          2H        MET   1   0.366 -12.122  -4.049
    3   3H    MET   1          3H        MET   1   0.991 -10.964  -5.122
    4    HA   MET   1           HA       MET   1  -1.276 -10.389  -4.628
    5   1HB   MET   1          1HB       MET   1  -0.338 -11.382  -7.278
    6   2HB   MET   1          2HB       MET   1  -2.041 -10.944  -7.158
    7   1HG   MET   1          1HG       MET   1  -0.260  -8.992  -5.882
    8   2HG   MET   1          2HG       MET   1   0.042  -9.175  -7.610
    9   1HE   MET   1          1HE       MET   1  -0.896  -6.299  -7.260
   10   2HE   MET   1          2HE       MET   1  -2.036  -6.404  -8.601
   11   3HE   MET   1          3HE       MET   1  -0.540  -7.336  -8.641
   12    H    PHE   2           H        PHE   2  -1.913 -13.025  -6.883
   13    HA   PHE   2           HA       PHE   2  -4.349 -13.848  -5.778
   14   1HB   PHE   2          1HB       PHE   2  -3.790 -16.020  -6.992
   15   2HB   PHE   2          2HB       PHE   2  -3.604 -14.562  -7.964
   16    HD1  PHE   2           HD1      PHE   2  -1.496 -13.944  -8.868
   17    HD2  PHE   2           HD2      PHE   2  -1.727 -17.037  -5.898
   18    HE1  PHE   2           HE1      PHE   2   0.884 -14.507  -9.272
   19    HE2  PHE   2           HE2      PHE   2   0.656 -17.598  -6.298
   20    HZ   PHE   2           HZ       PHE   2   1.960 -16.330  -7.984
   21    H    ASN   3           H        ASN   3  -4.937 -15.242  -4.122
   22    HA   ASN   3           HA       ASN   3  -2.753 -16.641  -2.627
   23   1HB   ASN   3          1HB       ASN   3  -3.488 -14.403  -1.655
   24   2HB   ASN   3          2HB       ASN   3  -5.076 -15.124  -1.400
   25   1HD2  ASN   3          1HD2      ASN   3  -1.752 -15.066  -0.250
   26   2HD2  ASN   3          2HD2      ASN   3  -1.999 -16.081   1.088
   27    H    ASP   4           H        ASP   4  -3.522 -18.520  -1.431
   28    HA   ASP   4           HA       ASP   4  -5.407 -20.152  -2.760
   29   1HB   ASP   4          1HB       ASP   4  -3.538 -20.682  -1.060
   30   2HB   ASP   4          2HB       ASP   4  -4.721 -20.291   0.188
   31    H    ARG   5           H        ARG   5  -5.953 -17.592  -0.476
   32    HA   ARG   5           HA       ARG   5  -8.680 -18.577   0.177
   33   1HB   ARG   5          1HB       ARG   5  -6.638 -16.779   1.293
   34   2HB   ARG   5          2HB       ARG   5  -8.271 -16.118   1.395
   35   1HG   ARG   5          1HG       ARG   5  -8.738 -18.682   2.155
   36   2HG   ARG   5          2HG       ARG   5  -7.096 -18.470   2.759
   37   1HD   ARG   5          1HD       ARG   5  -8.713 -16.122   3.336
   38   2HD   ARG   5          2HD       ARG   5  -9.447 -17.589   4.008
   39    HE   ARG   5           HE       ARG   5  -6.880 -16.431   4.809
   40   1HH1  ARG   5          1HH1      ARG   5  -8.780 -19.337   4.553
   41   2HH1  ARG   5          2HH1      ARG   5  -7.900 -20.153   5.799
   42   1HH2  ARG   5          1HH2      ARG   5  -5.753 -17.512   6.423
   43   2HH2  ARG   5          2HH2      ARG   5  -6.200 -19.130   6.850
   44    H    VAL   6           H        VAL   6  -7.055 -16.069  -1.700
   45    HA   VAL   6           HA       VAL   6  -9.641 -15.392  -2.974
   46    HB   VAL   6           HB       VAL   6  -9.263 -12.963  -2.446
   47   1HG1  VAL   6          1HG1      VAL   6 -10.126 -13.080  -0.225
   48   2HG1  VAL   6          2HG1      VAL   6  -9.305 -14.609   0.091
   49   3HG1  VAL   6          3HG1      VAL   6 -10.673 -14.556  -1.019
   50   1HG2  VAL   6          1HG2      VAL   6  -7.223 -13.933  -0.440
   51   2HG2  VAL   6          2HG2      VAL   6  -7.557 -12.276  -0.946
   52   3HG2  VAL   6          3HG2      VAL   6  -6.750 -13.390  -2.050
   53    H    ILE   7           H        ILE   7  -8.974 -13.307  -4.522
   54    HA   ILE   7           HA       ILE   7  -6.263 -13.655  -5.640
   55    HB   ILE   7           HB       ILE   7  -7.555 -15.491  -6.629
   56   1HG1  ILE   7          1HG1      ILE   7  -7.362 -13.277  -8.683
   57   2HG1  ILE   7          2HG1      ILE   7  -5.948 -14.107  -8.037
   58   1HG2  ILE   7          1HG2      ILE   7  -9.433 -13.966  -8.196
   59   2HG2  ILE   7          2HG2      ILE   7  -9.663 -13.601  -6.487
   60   3HG2  ILE   7          3HG2      ILE   7  -9.755 -15.269  -7.052
   61   1HD1  ILE   7          1HD1      ILE   7  -7.377 -14.950 -10.225
   62   2HD1  ILE   7          2HD1      ILE   7  -8.101 -15.910  -8.935
   63   3HD1  ILE   7          3HD1      ILE   7  -6.364 -15.997  -9.231
   64    H    VAL   8           H        VAL   8  -5.918 -12.060  -7.468
   65    HA   VAL   8           HA       VAL   8  -7.480  -9.588  -6.905
   66    HB   VAL   8           HB       VAL   8  -5.054  -9.494  -6.632
   67   1HG1  VAL   8          1HG1      VAL   8  -5.051 -10.624  -9.434
   68   2HG1  VAL   8          2HG1      VAL   8  -4.242 -11.255  -8.001
   69   3HG1  VAL   8          3HG1      VAL   8  -3.651  -9.785  -8.772
   70   1HG2  VAL   8          1HG2      VAL   8  -6.110  -7.476  -7.512
   71   2HG2  VAL   8          2HG2      VAL   8  -5.999  -8.103  -9.157
   72   3HG2  VAL   8          3HG2      VAL   8  -4.532  -7.685  -8.272
   73    H    LYS   9           H        LYS   9  -8.679  -8.591  -8.471
   74    HA   LYS   9           HA       LYS   9  -8.501  -9.544 -11.285
   75   1HB   LYS   9          1HB       LYS   9 -10.953  -9.437  -9.504
   76   2HB   LYS   9          2HB       LYS   9 -11.015  -9.712 -11.243
   77   1HG   LYS   9          1HG       LYS   9  -9.137 -11.553 -10.473
   78   2HG   LYS   9          2HG       LYS   9 -10.213 -11.549  -9.076
   79   1HD   LYS   9          1HD       LYS   9 -12.138 -11.983 -10.521
   80   2HD   LYS   9          2HD       LYS   9 -11.115 -11.888 -11.953
   81   1HE   LYS   9          1HE       LYS   9  -9.737 -13.796 -10.863
   82   2HE   LYS   9          2HE       LYS   9 -11.145 -14.018  -9.807
   83   1HZ   LYS   9          1HZ       LYS   9 -11.011 -14.177 -12.762
   84   2HZ   LYS   9          2HZ       LYS   9 -12.483 -13.912 -11.958
   85   3HZ   LYS   9          3HZ       LYS   9 -11.604 -15.336 -11.672
   86    H    LYS  10           H        LYS  10  -9.416  -6.176 -12.205
   87    HA   LYS  10           HA       LYS  10  -8.992  -7.412 -14.134
   88   1HB   LYS  10          1HB       LYS  10  -7.178  -8.308 -11.991
   89   2HB   LYS  10          2HB       LYS  10  -7.328  -9.447 -13.330
   90   1HG   LYS  10          1HG       LYS  10  -6.794  -6.490 -13.720
   91   2HG   LYS  10          2HG       LYS  10  -5.511  -7.696 -13.618
   92   1HD   LYS  10          1HD       LYS  10  -5.831  -8.274 -15.770
   93   2HD   LYS  10          2HD       LYS  10  -7.537  -8.597 -15.462
   94   1HE   LYS  10          1HE       LYS  10  -8.161  -6.352 -15.963
   95   2HE   LYS  10          2HE       LYS  10  -6.486  -5.779 -15.843
   96   1HZ   LYS  10          1HZ       LYS  10  -7.058  -6.098 -18.155
   97   2HZ   LYS  10          2HZ       LYS  10  -7.571  -7.689 -17.852
   98   3HZ   LYS  10          3HZ       LYS  10  -5.929  -7.282 -17.698
   99    H    SER  11           H        SER  11 -11.396  -8.027 -13.697
  100    HA   SER  11           HA       SER  11 -11.592 -11.022 -13.636
  101   1HB   SER  11          1HB       SER  11 -14.049 -10.197 -12.828
  102   2HB   SER  11          2HB       SER  11 -12.735 -10.491 -11.692
  103    HG   SER  11           HG       SER  11 -12.935  -8.480 -11.186
  104    HA   PRO  12           HA       PRO  12 -13.787 -10.982 -17.443
  105   1HB   PRO  12          1HB       PRO  12 -16.355 -11.729 -16.113
  106   2HB   PRO  12          2HB       PRO  12 -15.493 -12.549 -17.428
  107   1HG   PRO  12          1HG       PRO  12 -15.514 -13.502 -14.922
  108   2HG   PRO  12          2HG       PRO  12 -14.117 -13.686 -15.991
  109   1HD   PRO  12          1HD       PRO  12 -14.492 -11.888 -13.660
  110   2HD   PRO  12          2HD       PRO  12 -13.008 -12.629 -14.294
  111    H    LEU  13           H        LEU  13 -13.879  -8.760 -17.915
  112    HA   LEU  13           HA       LEU  13 -14.851  -6.626 -18.184
  113   1HB   LEU  13          1HB       LEU  13 -16.797  -8.680 -18.468
  114   2HB   LEU  13          2HB       LEU  13 -17.569  -7.382 -17.558
  115    HG   LEU  13           HG       LEU  13 -15.949  -6.764 -20.021
  116   1HD1  LEU  13          1HD1      LEU  13 -18.558  -8.134 -19.850
  117   2HD1  LEU  13          2HD1      LEU  13 -17.422  -8.041 -21.196
  118   3HD1  LEU  13          3HD1      LEU  13 -18.544  -6.714 -20.896
  119   1HD2  LEU  13          1HD2      LEU  13 -18.441  -5.379 -19.073
  120   2HD2  LEU  13          2HD2      LEU  13 -17.068  -4.715 -19.958
  121   3HD2  LEU  13          3HD2      LEU  13 -16.915  -5.083 -18.240
  122    H    GLY  14           H        GLY  14 -13.755  -6.942 -15.665
  123   1HA   GLY  14          1HA       GLY  14 -15.736  -5.491 -13.965
  124   2HA   GLY  14          2HA       GLY  14 -14.770  -6.798 -13.280
  125    H    GLY  15           H        GLY  15 -14.598  -4.240 -12.192
  126   1HA   GLY  15          1HA       GLY  15 -12.300  -2.832 -13.341
  127   2HA   GLY  15          2HA       GLY  15 -13.122  -2.419 -11.836
  128    H    TYR  16           H        TYR  16 -11.165  -2.268 -10.619
  129    HA   TYR  16           HA       TYR  16  -9.524  -4.752 -10.436
  130   1HB   TYR  16          1HB       TYR  16  -8.960  -2.009 -10.582
  131   2HB   TYR  16          2HB       TYR  16  -8.622  -2.438  -8.910
  132    HD1  TYR  16           HD1      TYR  16  -7.769  -3.115 -12.442
  133    HD2  TYR  16           HD2      TYR  16  -6.838  -3.975  -8.338
  134    HE1  TYR  16           HE1      TYR  16  -5.649  -4.191 -13.149
  135    HE2  TYR  16           HE2      TYR  16  -4.718  -5.050  -9.044
  136    HH   TYR  16           HH       TYR  16  -3.193  -4.607 -11.590
  137    H    GLY  17           H        GLY  17 -11.452  -5.682  -9.169
  138   1HA   GLY  17          1HA       GLY  17 -11.441  -4.746  -6.332
  139   2HA   GLY  17          2HA       GLY  17 -12.733  -5.698  -7.064
  140    H    VAL  18           H        VAL  18 -12.263  -7.153  -5.114
  141    HA   VAL  18           HA       VAL  18  -9.957  -8.966  -5.791
  142    HB   VAL  18           HB       VAL  18  -9.428  -7.856  -3.744
  143   1HG1  VAL  18          1HG1      VAL  18 -11.283  -6.729  -2.979
  144   2HG1  VAL  18          2HG1      VAL  18 -11.284  -8.080  -1.843
  145   3HG1  VAL  18          3HG1      VAL  18 -12.355  -8.102  -3.242
  146   1HG2  VAL  18          1HG2      VAL  18 -10.760 -10.176  -2.453
  147   2HG2  VAL  18          2HG2      VAL  18  -9.073  -9.663  -2.385
  148   3HG2  VAL  18          3HG2      VAL  18  -9.670 -10.546  -3.790
  149    H    PHE  19           H        PHE  19 -10.548 -11.064  -6.200
  150    HA   PHE  19           HA       PHE  19 -13.409 -11.771  -5.985
  151   1HB   PHE  19          1HB       PHE  19 -11.017 -12.534  -7.509
  152   2HB   PHE  19          2HB       PHE  19 -11.985 -13.926  -7.022
  153    HD1  PHE  19           HD1      PHE  19 -12.880 -10.413  -7.994
  154    HD2  PHE  19           HD2      PHE  19 -13.333 -14.608  -8.801
  155    HE1  PHE  19           HE1      PHE  19 -14.526  -9.894  -9.776
  156    HE2  PHE  19           HE2      PHE  19 -14.978 -14.088 -10.582
  157    HZ   PHE  19           HZ       PHE  19 -15.575 -11.731 -11.070
  158    H    ALA  20           H        ALA  20 -14.071 -13.809  -4.977
  159    HA   ALA  20           HA       ALA  20 -12.315 -14.553  -2.666
  160   1HB   ALA  20          1HB       ALA  20 -14.191 -14.202  -1.448
  161   2HB   ALA  20          2HB       ALA  20 -15.082 -15.357  -2.438
  162   3HB   ALA  20          3HB       ALA  20 -15.000 -13.663  -2.919
  163    H    ARG  21           H        ARG  21 -11.244 -16.419  -3.326
  164    HA   ARG  21           HA       ARG  21 -12.301 -18.408  -5.108
  165   1HB   ARG  21          1HB       ARG  21  -9.901 -17.786  -3.887
  166   2HB   ARG  21          2HB       ARG  21 -10.369 -19.260  -3.038
  167   1HG   ARG  21          1HG       ARG  21  -9.662 -20.453  -4.812
  168   2HG   ARG  21          2HG       ARG  21 -10.930 -19.702  -5.780
  169   1HD   ARG  21          1HD       ARG  21  -9.483 -18.056  -6.628
  170   2HD   ARG  21          2HD       ARG  21  -8.349 -18.223  -5.274
  171    HE   ARG  21           HE       ARG  21  -8.353 -20.737  -6.434
  172   1HH1  ARG  21          1HH1      ARG  21  -7.840 -17.501  -7.611
  173   2HH1  ARG  21          2HH1      ARG  21  -6.762 -18.010  -8.864
  174   1HH2  ARG  21          1HH2      ARG  21  -6.951 -21.372  -8.069
  175   2HH2  ARG  21          2HH2      ARG  21  -6.262 -20.184  -9.124
  176    H    LYS  22           H        LYS  22 -12.567 -17.868  -1.652
  177    HA   LYS  22           HA       LYS  22 -13.793 -20.505  -1.133
  178   1HB   LYS  22          1HB       LYS  22 -13.626 -18.069   0.681
  179   2HB   LYS  22          2HB       LYS  22 -13.708 -19.761   1.158
  180   1HG   LYS  22          1HG       LYS  22 -11.443 -19.605  -0.480
  181   2HG   LYS  22          2HG       LYS  22 -11.372 -18.165   0.535
  182   1HD   LYS  22          1HD       LYS  22 -11.123 -19.377   2.471
  183   2HD   LYS  22          2HD       LYS  22 -12.112 -20.714   1.883
  184   1HE   LYS  22          1HE       LYS  22  -9.788 -20.559   0.220
  185   2HE   LYS  22          2HE       LYS  22  -9.260 -20.534   1.910
  186   1HZ   LYS  22          1HZ       LYS  22  -9.677 -22.810   0.978
  187   2HZ   LYS  22          2HZ       LYS  22 -11.321 -22.400   0.864
  188   3HZ   LYS  22          3HZ       LYS  22 -10.561 -22.449   2.382
  189    H    SER  23           H        SER  23 -17.194 -19.140  -0.495
  190    HA   SER  23           HA       SER  23 -15.068 -20.966   0.499
  191   1HB   SER  23          1HB       SER  23 -18.007 -20.979   1.180
  192   2HB   SER  23          2HB       SER  23 -17.433 -21.617  -0.360
  193    HG   SER  23           HG       SER  23 -16.711 -23.307   0.632
  194    H    PHE  24           H        PHE  24 -16.627 -18.039   1.344
  195    HA   PHE  24           HA       PHE  24 -15.449 -18.199   4.068
  196   1HB   PHE  24          1HB       PHE  24 -16.424 -16.029   2.198
  197   2HB   PHE  24          2HB       PHE  24 -16.039 -15.674   3.881
  198    HD1  PHE  24           HD1      PHE  24 -13.732 -17.178   4.551
  199    HD2  PHE  24           HD2      PHE  24 -14.698 -15.360   0.782
  200    HE1  PHE  24           HE1      PHE  24 -11.322 -17.079   3.981
  201    HE2  PHE  24           HE2      PHE  24 -12.286 -15.261   0.211
  202    HZ   PHE  24           HZ       PHE  24 -10.598 -16.121   1.811
  203    H    GLU  25           H        GLU  25 -16.691 -17.418   5.905
  204    HA   GLU  25           HA       GLU  25 -19.556 -18.181   5.735
  205   1HB   GLU  25          1HB       GLU  25 -17.590 -18.811   7.469
  206   2HB   GLU  25          2HB       GLU  25 -18.180 -17.353   8.257
  207   1HG   GLU  25          1HG       GLU  25 -20.479 -18.811   7.505
  208   2HG   GLU  25          2HG       GLU  25 -19.361 -19.979   8.207
  209    H    LYS  26           H        LYS  26 -20.350 -16.582   8.005
  210    HA   LYS  26           HA       LYS  26 -20.671 -13.964   6.640
  211   1HB   LYS  26          1HB       LYS  26 -22.534 -15.466   7.605
  212   2HB   LYS  26          2HB       LYS  26 -21.955 -14.968   9.191
  213   1HG   LYS  26          1HG       LYS  26 -22.353 -12.622   8.638
  214   2HG   LYS  26          2HG       LYS  26 -22.839 -13.071   7.004
  215   1HD   LYS  26          1HD       LYS  26 -24.722 -14.375   7.912
  216   2HD   LYS  26          2HD       LYS  26 -24.233 -13.947   9.551
  217   1HE   LYS  26          1HE       LYS  26 -24.406 -11.472   8.643
  218   2HE   LYS  26          2HE       LYS  26 -25.467 -12.211   7.429
  219   1HZ   LYS  26          1HZ       LYS  26 -25.702 -12.665  10.360
  220   2HZ   LYS  26          2HZ       LYS  26 -26.776 -13.199   9.157
  221   3HZ   LYS  26          3HZ       LYS  26 -26.643 -11.541   9.501
  222    H    GLY  27           H        GLY  27 -18.118 -14.726   8.027
  223   1HA   GLY  27          1HA       GLY  27 -17.443 -12.299   9.248
  224   2HA   GLY  27          2HA       GLY  27 -18.001 -13.340  10.558
  225    H    GLU  28           H        GLU  28 -15.556 -12.978   8.036
  226    HA   GLU  28           HA       GLU  28 -13.709 -14.644   9.660
  227   1HB   GLU  28          1HB       GLU  28 -14.870 -15.268   6.968
  228   2HB   GLU  28          2HB       GLU  28 -13.189 -15.716   7.259
  229   1HG   GLU  28          1HG       GLU  28 -14.139 -16.717   9.498
  230   2HG   GLU  28          2HG       GLU  28 -15.675 -16.695   8.634
  231    H    LEU  29           H        LEU  29 -11.796 -13.525   9.741
  232    HA   LEU  29           HA       LEU  29 -11.231 -11.139   8.349
  233   1HB   LEU  29          1HB       LEU  29 -10.132 -12.042  10.418
  234   2HB   LEU  29          2HB       LEU  29  -9.311 -13.242   9.428
  235    HG   LEU  29           HG       LEU  29  -7.969 -11.143  10.032
  236   1HD1  LEU  29          1HD1      LEU  29  -7.795 -12.815   7.943
  237   2HD1  LEU  29          2HD1      LEU  29  -6.708 -11.442   8.143
  238   3HD1  LEU  29          3HD1      LEU  29  -8.098 -11.316   7.066
  239   1HD2  LEU  29          1HD2      LEU  29  -9.181  -9.729   7.732
  240   2HD2  LEU  29          2HD2      LEU  29  -8.543  -9.080   9.244
  241   3HD2  LEU  29          3HD2      LEU  29 -10.165  -9.768   9.192
  242    H    VAL  30           H        VAL  30 -10.897 -10.856   6.192
  243    HA   VAL  30           HA       VAL  30 -10.260 -13.112   4.435
  244    HB   VAL  30           HB       VAL  30 -10.603 -10.118   4.029
  245   1HG1  VAL  30          1HG1      VAL  30  -9.302 -10.972   2.185
  246   2HG1  VAL  30          2HG1      VAL  30 -10.963 -10.800   1.618
  247   3HG1  VAL  30          3HG1      VAL  30 -10.337 -12.393   2.046
  248   1HG2  VAL  30          1HG2      VAL  30 -12.707 -11.449   2.833
  249   2HG2  VAL  30          2HG2      VAL  30 -12.763 -10.682   4.420
  250   3HG2  VAL  30          3HG2      VAL  30 -12.424 -12.407   4.286
  251    H    GLU  31           H        GLU  31  -8.657  -9.987   5.190
  252    HA   GLU  31           HA       GLU  31  -6.019 -11.196   5.234
  253   1HB   GLU  31          1HB       GLU  31  -5.252 -10.110   3.113
  254   2HB   GLU  31          2HB       GLU  31  -6.510 -11.311   2.827
  255   1HG   GLU  31          1HG       GLU  31  -8.124  -9.237   3.104
  256   2HG   GLU  31          2HG       GLU  31  -6.679  -8.317   2.689
  257    H    GLU  32           H        GLU  32  -5.696  -9.942   7.119
  258    HA   GLU  32           HA       GLU  32  -6.235  -7.076   7.192
  259   1HB   GLU  32          1HB       GLU  32  -5.160  -7.307   9.418
  260   2HB   GLU  32          2HB       GLU  32  -6.332  -8.598   9.152
  261   1HG   GLU  32          1HG       GLU  32  -4.706 -10.113   9.502
  262   2HG   GLU  32          2HG       GLU  32  -3.853  -9.495   8.087
  263    H    CYS  33           H        CYS  33  -4.609  -5.405   7.262
  264    HA   CYS  33           HA       CYS  33  -1.821  -6.160   6.567
  265   1HB   CYS  33          1HB       CYS  33  -3.696  -5.668   4.610
  266   2HB   CYS  33          2HB       CYS  33  -2.989  -4.068   4.835
  267    HG   CYS  33           HG       CYS  33  -0.657  -5.034   4.229
  268    H    LEU  34           H        LEU  34  -1.244  -3.422   5.676
  269    HA   LEU  34           HA       LEU  34  -1.439  -2.038   8.328
  270   1HB   LEU  34          1HB       LEU  34   0.651  -2.502   6.287
  271   2HB   LEU  34          2HB       LEU  34   0.603  -0.853   6.907
  272    HG   LEU  34           HG       LEU  34   0.609  -1.816   9.239
  273   1HD1  LEU  34          1HD1      LEU  34  -0.066  -4.017   9.173
  274   2HD1  LEU  34          2HD1      LEU  34   1.675  -4.275   9.070
  275   3HD1  LEU  34          3HD1      LEU  34   0.690  -4.311   7.608
  276   1HD2  LEU  34          1HD2      LEU  34   2.796  -1.869   7.272
  277   2HD2  LEU  34          2HD2      LEU  34   3.084  -2.890   8.681
  278   3HD2  LEU  34          3HD2      LEU  34   2.757  -1.170   8.890
  279    H    CYS  35           H        CYS  35  -1.267   0.442   8.047
  280    HA   CYS  35           HA       CYS  35  -2.482   1.460   5.537
  281   1HB   CYS  35          1HB       CYS  35  -3.802   1.103   8.179
  282   2HB   CYS  35          2HB       CYS  35  -4.086   2.655   7.394
  283    HG   CYS  35           HG       CYS  35  -5.497   1.544   5.681
  284    H    ILE  36           H        ILE  36  -2.171   3.743   5.298
  285    HA   ILE  36           HA       ILE  36  -0.044   4.858   7.050
  286    HB   ILE  36           HB       ILE  36  -1.369   5.906   4.520
  287   1HG1  ILE  36          1HG1      ILE  36   1.212   4.352   4.892
  288   2HG1  ILE  36          2HG1      ILE  36  -0.269   3.711   4.183
  289   1HG2  ILE  36          1HG2      ILE  36   0.667   7.300   4.359
  290   2HG2  ILE  36          2HG2      ILE  36   1.237   6.638   5.891
  291   3HG2  ILE  36          3HG2      ILE  36  -0.216   7.636   5.849
  292   1HD1  ILE  36          1HD1      ILE  36   1.627   4.660   2.617
  293   2HD1  ILE  36          2HD1      ILE  36   0.933   6.221   3.051
  294   3HD1  ILE  36          3HD1      ILE  36  -0.063   5.005   2.252
  295    H    VAL  37           H        VAL  37  -0.391   6.693   8.357
  296    HA   VAL  37           HA       VAL  37  -3.246   7.590   8.569
  297    HB   VAL  37           HB       VAL  37  -1.051   7.455  10.667
  298   1HG1  VAL  37          1HG1      VAL  37  -2.447   8.672  11.945
  299   2HG1  VAL  37          2HG1      VAL  37  -3.707   7.458  11.726
  300   3HG1  VAL  37          3HG1      VAL  37  -3.571   8.801  10.591
  301   1HG2  VAL  37          1HG2      VAL  37  -2.646   5.585  11.527
  302   2HG2  VAL  37          2HG2      VAL  37  -1.564   5.204  10.187
  303   3HG2  VAL  37          3HG2      VAL  37  -3.262   5.563   9.874
  304    H    ARG  38           H        ARG  38  -3.588   9.720   8.156
  305    HA   ARG  38           HA       ARG  38  -1.468  11.718   8.732
  306   1HB   ARG  38          1HB       ARG  38  -2.550  10.889   6.049
  307   2HB   ARG  38          2HB       ARG  38  -2.028  12.555   6.285
  308   1HG   ARG  38          1HG       ARG  38  -0.345  10.079   6.772
  309   2HG   ARG  38          2HG       ARG  38  -0.186  11.175   5.401
  310   1HD   ARG  38          1HD       ARG  38   0.131  13.037   7.197
  311   2HD   ARG  38          2HD       ARG  38   0.469  11.692   8.300
  312    HE   ARG  38           HE       ARG  38   1.947  11.182   5.958
  313   1HH1  ARG  38          1HH1      ARG  38   1.777  13.630   8.427
  314   2HH1  ARG  38          2HH1      ARG  38   3.449  14.048   8.282
  315   1HH2  ARG  38          1HH2      ARG  38   4.114  11.742   5.788
  316   2HH2  ARG  38          2HH2      ARG  38   4.764  12.988   6.800
  317    H    HIS  39           H        HIS  39  -2.465  13.992   8.036
  318    HA   HIS  39           HA       HIS  39  -5.170  14.112   9.245
  319   1HB   HIS  39          1HB       HIS  39  -2.809  15.847   8.844
  320   2HB   HIS  39          2HB       HIS  39  -4.352  16.684   8.677
  321    HD1  HIS  39           HD1      HIS  39  -3.310  17.781  11.033
  322    HD2  HIS  39           HD2      HIS  39  -4.825  13.901  11.203
  323    HE1  HIS  39           HE1      HIS  39  -3.761  17.294  13.477
  324    H    ASN  40           H        ASN  40  -6.400  16.179   8.088
  325    HA   ASN  40           HA       ASN  40  -7.082  15.185   5.409
  326   1HB   ASN  40          1HB       ASN  40  -8.440  16.281   7.491
  327   2HB   ASN  40          2HB       ASN  40  -8.193  17.724   6.507
  328   1HD2  ASN  40          1HD2      ASN  40  -9.395  14.337   6.245
  329   2HD2  ASN  40          2HD2      ASN  40 -10.516  14.672   5.016
  330    H    ASP  41           H        ASP  41  -7.797  18.078   4.633
  331    HA   ASP  41           HA       ASP  41  -6.860  19.787   3.338
  332   1HB   ASP  41          1HB       ASP  41  -4.454  19.189   5.096
  333   2HB   ASP  41          2HB       ASP  41  -4.794  20.699   4.260
  334    H    ASP  42           H        ASP  42  -3.716  19.613   2.960
  335    HA   ASP  42           HA       ASP  42  -3.555  18.794   0.342
  336   1HB   ASP  42          1HB       ASP  42  -1.564  18.351   2.596
  337   2HB   ASP  42          2HB       ASP  42  -1.151  18.349   0.882
  338    H    TRP  43           H        TRP  43  -3.028  16.610   3.143
  339    HA   TRP  43           HA       TRP  43  -2.487  14.218   1.772
  340   1HB   TRP  43          1HB       TRP  43  -2.321  14.371   4.161
  341   2HB   TRP  43          2HB       TRP  43  -3.993  14.902   4.315
  342    HD1  TRP  43           HD1      TRP  43  -5.848  13.096   4.441
  343    HE1  TRP  43           HE1      TRP  43  -5.837  10.520   4.533
  344    HE3  TRP  43           HE3      TRP  43  -0.963  12.192   3.258
  345    HZ2  TRP  43           HZ2      TRP  43  -4.001   8.363   4.154
  346    HZ3  TRP  43           HZ3      TRP  43  -0.112   9.868   3.131
  347    HH2  TRP  43           HH2      TRP  43  -1.623   7.955   3.577
  348    H    GLY  44           H        GLY  44  -5.690  15.567   2.659
  349   1HA   GLY  44          1HA       GLY  44  -7.309  13.492   1.662
  350   2HA   GLY  44          2HA       GLY  44  -7.808  15.181   1.726
  351    H    THR  45           H        THR  45  -6.016  16.334  -0.081
  352    HA   THR  45           HA       THR  45  -7.230  15.572  -2.613
  353    HB   THR  45           HB       THR  45  -4.876  17.392  -1.980
  354    HG1  THR  45           HG1      THR  45  -6.308  18.606  -1.086
  355   1HG2  THR  45          1HG2      THR  45  -5.097  18.249  -4.107
  356   2HG2  THR  45          2HG2      THR  45  -6.824  17.900  -4.181
  357   3HG2  THR  45          3HG2      THR  45  -5.651  16.604  -4.426
  358    H    ALA  46           H        ALA  46  -3.770  15.663  -1.629
  359    HA   ALA  46           HA       ALA  46  -2.679  14.341  -3.840
  360   1HB   ALA  46          1HB       ALA  46  -1.817  13.849  -0.978
  361   2HB   ALA  46          2HB       ALA  46  -1.606  15.421  -1.749
  362   3HB   ALA  46          3HB       ALA  46  -0.797  14.001  -2.410
  363    H    LEU  47           H        LEU  47  -3.720  12.765  -0.778
  364    HA   LEU  47           HA       LEU  47  -3.577  10.126  -2.121
  365   1HB   LEU  47          1HB       LEU  47  -4.090  11.074   0.718
  366   2HB   LEU  47          2HB       LEU  47  -4.141   9.376   0.254
  367    HG   LEU  47           HG       LEU  47  -1.944   9.774   1.111
  368   1HD1  LEU  47          1HD1      LEU  47  -2.112   8.493  -1.064
  369   2HD1  LEU  47          2HD1      LEU  47  -0.536   9.224  -0.759
  370   3HD1  LEU  47          3HD1      LEU  47  -1.655   9.979  -1.894
  371   1HD2  LEU  47          1HD2      LEU  47  -2.324  12.367   0.500
  372   2HD2  LEU  47          2HD2      LEU  47  -1.270  11.911  -0.838
  373   3HD2  LEU  47          3HD2      LEU  47  -0.730  11.691   0.826
  374    H    GLU  48           H        GLU  48  -5.749  12.257  -2.657
  375    HA   GLU  48           HA       GLU  48  -8.240  11.552  -1.576
  376   1HB   GLU  48          1HB       GLU  48  -9.093  12.365  -3.805
  377   2HB   GLU  48          2HB       GLU  48  -7.889  13.431  -3.087
  378   1HG   GLU  48          1HG       GLU  48  -6.986  13.285  -5.191
  379   2HG   GLU  48          2HG       GLU  48  -6.245  11.840  -4.509
  380    H    ASP  49           H        ASP  49  -9.891  10.059  -2.333
  381    HA   ASP  49           HA       ASP  49 -10.668   7.956  -3.040
  382   1HB   ASP  49          1HB       ASP  49  -9.910   9.013  -5.221
  383   2HB   ASP  49          2HB       ASP  49  -8.382   8.165  -5.015
  384    H    TYR  50           H        TYR  50 -10.210   5.758  -2.583
  385    HA   TYR  50           HA       TYR  50  -9.045   3.940  -1.614
  386   1HB   TYR  50          1HB       TYR  50  -6.474   5.393  -2.261
  387   2HB   TYR  50          2HB       TYR  50  -6.792   3.663  -2.294
  388    HD1  TYR  50           HD1      TYR  50  -9.136   3.308  -3.928
  389    HD2  TYR  50           HD2      TYR  50  -5.940   6.150  -4.385
  390    HE1  TYR  50           HE1      TYR  50  -9.615   3.460  -6.348
  391    HE2  TYR  50           HE2      TYR  50  -6.425   6.297  -6.814
  392    HH   TYR  50           HH       TYR  50  -8.425   4.075  -8.425
  393    H    LEU  51           H        LEU  51  -9.355   6.825  -0.273
  394    HA   LEU  51           HA       LEU  51  -7.400   6.355   1.945
  395   1HB   LEU  51          1HB       LEU  51  -7.666   8.515   0.387
  396   2HB   LEU  51          2HB       LEU  51  -8.932   8.904   1.550
  397    HG   LEU  51           HG       LEU  51  -7.267   8.559   3.394
  398   1HD1  LEU  51          1HD1      LEU  51  -4.854   8.888   1.983
  399   2HD1  LEU  51          2HD1      LEU  51  -5.711   7.590   1.151
  400   3HD1  LEU  51          3HD1      LEU  51  -5.372   7.462   2.875
  401   1HD2  LEU  51          1HD2      LEU  51  -7.194  10.805   3.168
  402   2HD2  LEU  51          2HD2      LEU  51  -7.315  10.695   1.412
  403   3HD2  LEU  51          3HD2      LEU  51  -5.740  10.574   2.197
  404    H    PHE  52           H        PHE  52  -8.471   5.190   3.519
  405    HA   PHE  52           HA       PHE  52 -11.327   5.725   4.105
  406   1HB   PHE  52          1HB       PHE  52  -9.208   3.760   5.020
  407   2HB   PHE  52          2HB       PHE  52 -10.789   3.838   5.799
  408    HD1  PHE  52           HD1      PHE  52 -12.838   3.258   4.561
  409    HD2  PHE  52           HD2      PHE  52  -8.957   2.941   2.746
  410    HE1  PHE  52           HE1      PHE  52 -13.804   1.888   2.734
  411    HE2  PHE  52           HE2      PHE  52  -9.924   1.571   0.918
  412    HZ   PHE  52           HZ       PHE  52 -12.348   1.044   0.913
  413    H    SER  53           H        SER  53 -11.794   7.360   5.540
  414    HA   SER  53           HA       SER  53  -9.693   8.113   7.533
  415   1HB   SER  53          1HB       SER  53 -10.417   9.799   5.867
  416   2HB   SER  53          2HB       SER  53 -12.086   9.613   6.405
  417    HG   SER  53           HG       SER  53 -11.585  11.106   7.780
  418    H    ARG  54           H        ARG  54 -10.145   7.974   9.696
  419    HA   ARG  54           HA       ARG  54 -12.842   6.968  10.490
  420   1HB   ARG  54          1HB       ARG  54 -10.495   5.884  10.986
  421   2HB   ARG  54          2HB       ARG  54 -10.379   7.129  12.229
  422   1HG   ARG  54          1HG       ARG  54 -12.091   6.222  13.489
  423   2HG   ARG  54          2HG       ARG  54 -12.906   5.539  12.082
  424   1HD   ARG  54          1HD       ARG  54 -11.998   3.551  12.744
  425   2HD   ARG  54          2HD       ARG  54 -10.462   4.194  12.130
  426    HE   ARG  54           HE       ARG  54  -9.796   4.509  14.376
  427   1HH1  ARG  54          1HH1      ARG  54 -13.265   4.325  14.147
  428   2HH1  ARG  54          2HH1      ARG  54 -13.492   4.407  15.859
  429   1HH2  ARG  54          1HH2      ARG  54 -10.117   4.614  16.595
  430   2HH2  ARG  54          2HH2      ARG  54 -11.725   4.569  17.237
  431    H    LYS  55           H        LYS  55 -13.162   7.769  13.005
  432    HA   LYS  55           HA       LYS  55 -13.563  10.638  12.808
  433   1HB   LYS  55          1HB       LYS  55 -14.794   8.573  14.059
  434   2HB   LYS  55          2HB       LYS  55 -13.811   9.165  15.398
  435   1HG   LYS  55          1HG       LYS  55 -14.826  11.498  14.313
  436   2HG   LYS  55          2HG       LYS  55 -16.172  10.372  14.140
  437   1HD   LYS  55          1HD       LYS  55 -15.070   9.917  16.711
  438   2HD   LYS  55          2HD       LYS  55 -15.203  11.666  16.526
  439   1HE   LYS  55          1HE       LYS  55 -17.557  11.531  16.070
  440   2HE   LYS  55          2HE       LYS  55 -17.481   9.771  15.865
  441   1HZ   LYS  55          1HZ       LYS  55 -16.723  11.201  18.362
  442   2HZ   LYS  55          2HZ       LYS  55 -16.843   9.520  18.145
  443   3HZ   LYS  55          3HZ       LYS  55 -18.241  10.483  18.111
  444    H    ASN  56           H        ASN  56 -11.156  10.989  12.517
  445    HA   ASN  56           HA       ASN  56  -9.304  10.626  14.690
  446   1HB   ASN  56          1HB       ASN  56 -10.914  12.224  15.715
  447   2HB   ASN  56          2HB       ASN  56  -9.332  12.971  15.497
  448   1HD2  ASN  56          1HD2      ASN  56  -9.449  15.018  14.576
  449   2HD2  ASN  56          2HD2      ASN  56 -10.666  15.549  13.520
  450    H    MET  57           H        MET  57  -9.468  10.489  11.720
  451    HA   MET  57           HA       MET  57  -8.090  12.713  10.507
  452   1HB   MET  57          1HB       MET  57  -5.806  11.637  10.476
  453   2HB   MET  57          2HB       MET  57  -6.325  12.111  12.092
  454   1HG   MET  57          1HG       MET  57  -7.249   9.433  11.455
  455   2HG   MET  57          2HG       MET  57  -5.500   9.551  11.269
  456   1HE   MET  57          1HE       MET  57  -4.145  10.647  14.603
  457   2HE   MET  57          2HE       MET  57  -4.661  11.801  13.373
  458   3HE   MET  57          3HE       MET  57  -3.889  10.289  12.895
  459    H    SER  58           H        SER  58  -6.649  11.626   8.540
  460    HA   SER  58           HA       SER  58  -8.480   9.607   7.291
  461   1HB   SER  58          1HB       SER  58  -6.645  11.704   6.071
  462   2HB   SER  58          2HB       SER  58  -7.753  10.666   5.174
  463    HG   SER  58           HG       SER  58  -9.415  11.793   5.866
  464    H    ALA  59           H        ALA  59  -7.512   7.805   6.239
  465    HA   ALA  59           HA       ALA  59  -4.538   7.580   6.388
  466   1HB   ALA  59          1HB       ALA  59  -5.155   5.152   7.247
  467   2HB   ALA  59          2HB       ALA  59  -6.671   5.921   7.716
  468   3HB   ALA  59          3HB       ALA  59  -5.145   6.502   8.382
  469    H    MET  60           H        MET  60  -3.668   6.064   4.858
  470    HA   MET  60           HA       MET  60  -5.433   5.543   2.541
  471   1HB   MET  60          1HB       MET  60  -3.222   6.552   2.227
  472   2HB   MET  60          2HB       MET  60  -2.459   5.212   3.080
  473   1HG   MET  60          1HG       MET  60  -2.207   4.853   0.689
  474   2HG   MET  60          2HG       MET  60  -3.341   3.660   1.320
  475   1HE   MET  60          1HE       MET  60  -3.366   6.119  -2.003
  476   2HE   MET  60          2HE       MET  60  -2.388   6.404  -0.563
  477   3HE   MET  60          3HE       MET  60  -3.780   7.433  -0.901
  478    H    ALA  61           H        ALA  61  -5.602   3.398   1.598
  479    HA   ALA  61           HA       ALA  61  -5.676   1.266   3.626
  480   1HB   ALA  61          1HB       ALA  61  -7.489   0.923   2.294
  481   2HB   ALA  61          2HB       ALA  61  -6.366   0.233   1.122
  482   3HB   ALA  61          3HB       ALA  61  -6.822   1.934   1.013
  483    H    LEU  62           H        LEU  62  -3.462   0.752   4.012
  484    HA   LEU  62           HA       LEU  62  -1.472  -0.451   3.645
  485   1HB   LEU  62          1HB       LEU  62  -1.122   0.148   0.861
  486   2HB   LEU  62          2HB       LEU  62  -1.814   1.545   1.639
  487    HG   LEU  62           HG       LEU  62   0.003   0.969   3.495
  488   1HD1  LEU  62          1HD1      LEU  62   0.632  -0.654   1.195
  489   2HD1  LEU  62          2HD1      LEU  62   1.398  -0.642   2.784
  490   3HD1  LEU  62          3HD1      LEU  62   1.945   0.471   1.531
  491   1HD2  LEU  62          1HD2      LEU  62   1.338   2.723   2.565
  492   2HD2  LEU  62          2HD2      LEU  62  -0.317   3.073   2.062
  493   3HD2  LEU  62          3HD2      LEU  62   0.815   2.344   0.923
  494    H    GLY  63           H        GLY  63  -3.264  -2.303   3.695
  495   1HA   GLY  63          1HA       GLY  63  -2.469  -4.304   1.832
  496   2HA   GLY  63          2HA       GLY  63  -3.878  -4.417   2.886
  497    H    PHE  64           H        PHE  64  -4.952  -5.454   1.025
  498    HA   PHE  64           HA       PHE  64  -5.421  -3.962  -1.429
  499   1HB   PHE  64          1HB       PHE  64  -6.374  -6.483  -0.094
  500   2HB   PHE  64          2HB       PHE  64  -7.268  -5.875  -1.486
  501    HD1  PHE  64           HD1      PHE  64  -6.695  -7.094  -3.390
  502    HD2  PHE  64           HD2      PHE  64  -3.610  -5.949  -0.629
  503    HE1  PHE  64           HE1      PHE  64  -4.982  -8.048  -4.908
  504    HE2  PHE  64           HE2      PHE  64  -1.898  -6.902  -2.146
  505    HZ   PHE  64           HZ       PHE  64  -2.583  -7.952  -4.286
  506    H    GLY  65           H        GLY  65  -6.091  -2.078   0.332
  507   1HA   GLY  65          1HA       GLY  65  -8.953  -2.278   1.027
  508   2HA   GLY  65          2HA       GLY  65  -7.875  -0.957   1.468
  509    H    ALA  66           H        ALA  66  -6.836  -0.518  -1.198
  510    HA   ALA  66           HA       ALA  66  -8.858   1.275  -2.205
  511   1HB   ALA  66          1HB       ALA  66  -7.145   1.833  -3.781
  512   2HB   ALA  66          2HB       ALA  66  -6.415   0.232  -3.664
  513   3HB   ALA  66          3HB       ALA  66  -6.281   1.364  -2.317
  514    H    ILE  67           H        ILE  67  -7.634  -1.890  -3.327
  515    HA   ILE  67           HA       ILE  67  -8.953  -2.102  -5.788
  516    HB   ILE  67           HB       ILE  67  -8.953  -4.595  -5.211
  517   1HG1  ILE  67          1HG1      ILE  67  -7.278  -4.522  -2.951
  518   2HG1  ILE  67          2HG1      ILE  67  -8.636  -3.472  -2.557
  519   1HG2  ILE  67          1HG2      ILE  67  -6.539  -4.737  -5.269
  520   2HG2  ILE  67          2HG2      ILE  67  -6.386  -3.097  -4.639
  521   3HG2  ILE  67          3HG2      ILE  67  -7.043  -3.363  -6.256
  522   1HD1  ILE  67          1HD1      ILE  67  -8.564  -6.375  -2.840
  523   2HD1  ILE  67          2HD1      ILE  67  -9.835  -5.639  -3.816
  524   3HD1  ILE  67          3HD1      ILE  67  -9.782  -5.355  -2.076
  525    H    PHE  68           H        PHE  68 -10.332  -2.553  -2.541
  526    HA   PHE  68           HA       PHE  68 -12.739  -3.837  -3.129
  527   1HB   PHE  68          1HB       PHE  68 -11.933  -1.640  -1.220
  528   2HB   PHE  68          2HB       PHE  68 -13.578  -2.273  -1.215
  529    HD1  PHE  68           HD1      PHE  68 -10.841  -2.509   0.661
  530    HD2  PHE  68           HD2      PHE  68 -13.247  -5.112  -1.764
  531    HE1  PHE  68           HE1      PHE  68 -10.082  -4.456   1.998
  532    HE2  PHE  68           HE2      PHE  68 -12.490  -7.058  -0.428
  533    HZ   PHE  68           HZ       PHE  68 -10.908  -6.730   1.453
  534    H    ASN  69           H        ASN  69 -14.281  -3.345  -4.617
  535    HA   ASN  69           HA       ASN  69 -14.538  -0.555  -5.605
  536   1HB   ASN  69          1HB       ASN  69 -15.549  -3.286  -6.461
  537   2HB   ASN  69          2HB       ASN  69 -16.041  -1.801  -7.275
  538   1HD2  ASN  69          1HD2      ASN  69 -13.997  -4.255  -7.789
  539   2HD2  ASN  69          2HD2      ASN  69 -12.682  -3.442  -8.491
  540    H    HIS  70           H        HIS  70 -16.973   0.006  -6.137
  541    HA   HIS  70           HA       HIS  70 -18.485  -0.265  -3.593
  542   1HB   HIS  70          1HB       HIS  70 -17.973   1.935  -4.749
  543   2HB   HIS  70          2HB       HIS  70 -19.022   1.415  -6.068
  544    HD1  HIS  70           HD1      HIS  70 -20.561   3.506  -5.369
  545    HD2  HIS  70           HD2      HIS  70 -20.344   0.422  -2.573
  546    HE1  HIS  70           HE1      HIS  70 -22.481   3.866  -3.757
  547    H    SER  71           H        SER  71 -19.723  -2.130  -3.602
  548    HA   SER  71           HA       SER  71 -21.281  -2.748  -6.090
  549   1HB   SER  71          1HB       SER  71 -19.652  -4.455  -5.485
  550   2HB   SER  71          2HB       SER  71 -20.218  -4.462  -3.816
  551    HG   SER  71           HG       SER  71 -21.341  -5.582  -6.091
  552    H    LYS  72           H        LYS  72 -23.486  -2.604  -5.905
  553    HA   LYS  72           HA       LYS  72 -24.845  -1.551  -3.675
  554   1HB   LYS  72          1HB       LYS  72 -25.484  -3.037  -6.173
  555   2HB   LYS  72          2HB       LYS  72 -26.755  -3.016  -4.950
  556   1HG   LYS  72          1HG       LYS  72 -25.448  -0.409  -5.372
  557   2HG   LYS  72          2HG       LYS  72 -26.323  -1.013  -6.780
  558   1HD   LYS  72          1HD       LYS  72 -28.372  -0.977  -5.692
  559   2HD   LYS  72          2HD       LYS  72 -27.646  -1.180  -4.097
  560   1HE   LYS  72          1HE       LYS  72 -28.180   1.079  -3.975
  561   2HE   LYS  72          2HE       LYS  72 -26.584   1.219  -4.737
  562   1HZ   LYS  72          1HZ       LYS  72 -27.782   0.939  -6.913
  563   2HZ   LYS  72          2HZ       LYS  72 -28.092   2.404  -6.112
  564   3HZ   LYS  72          3HZ       LYS  72 -29.240   1.152  -6.069
  565    H    ASP  73           H        ASP  73 -23.861  -4.853  -4.333
  566    HA   ASP  73           HA       ASP  73 -25.407  -5.814  -1.958
  567   1HB   ASP  73          1HB       ASP  73 -24.028  -7.233  -4.269
  568   2HB   ASP  73          2HB       ASP  73 -24.914  -8.050  -2.981
  569    HA   PRO  74           HA       PRO  74 -20.967  -5.343  -0.609
  570   1HB   PRO  74          1HB       PRO  74 -21.713  -4.692   2.003
  571   2HB   PRO  74          2HB       PRO  74 -21.345  -3.514   0.732
  572   1HG   PRO  74          1HG       PRO  74 -23.973  -4.473   1.731
  573   2HG   PRO  74          2HG       PRO  74 -23.499  -2.867   1.158
  574   1HD   PRO  74          1HD       PRO  74 -24.967  -4.589  -0.332
  575   2HD   PRO  74          2HD       PRO  74 -23.843  -3.414  -1.048
  576    H    ASN  75           H        ASN  75 -20.432  -7.530  -0.541
  577    HA   ASN  75           HA       ASN  75 -21.827  -9.318   1.377
  578   1HB   ASN  75          1HB       ASN  75 -19.755  -9.699  -0.813
  579   2HB   ASN  75          2HB       ASN  75 -20.396 -11.023   0.160
  580   1HD2  ASN  75          1HD2      ASN  75 -20.945 -11.334  -2.470
  581   2HD2  ASN  75          2HD2      ASN  75 -22.545 -10.909  -2.843
  582    H    ALA  76           H        ALA  76 -18.874  -7.510   1.064
  583    HA   ALA  76           HA       ALA  76 -17.807  -8.885   3.509
  584   1HB   ALA  76          1HB       ALA  76 -15.847  -7.539   1.800
  585   2HB   ALA  76          2HB       ALA  76 -16.753  -8.769   0.918
  586   3HB   ALA  76          3HB       ALA  76 -15.861  -9.207   2.375
  587    H    ARG  77           H        ARG  77 -16.043  -7.299   4.520
  588    HA   ARG  77           HA       ARG  77 -16.831  -4.446   4.267
  589   1HB   ARG  77          1HB       ARG  77 -17.766  -6.292   6.274
  590   2HB   ARG  77          2HB       ARG  77 -16.743  -5.084   7.049
  591   1HG   ARG  77          1HG       ARG  77 -18.381  -3.712   5.170
  592   2HG   ARG  77          2HG       ARG  77 -19.432  -4.789   6.087
  593   1HD   ARG  77          1HD       ARG  77 -17.491  -2.764   7.263
  594   2HD   ARG  77          2HD       ARG  77 -19.261  -2.657   7.276
  595    HE   ARG  77           HE       ARG  77 -17.632  -4.406   8.970
  596   1HH1  ARG  77          1HH1      ARG  77 -20.726  -3.914   7.448
  597   2HH1  ARG  77          2HH1      ARG  77 -21.564  -4.915   8.581
  598   1HH2  ARG  77          1HH2      ARG  77 -18.745  -5.701  10.426
  599   2HH2  ARG  77          2HH2      ARG  77 -20.455  -5.920  10.254
  600    H    HIS  78           H        HIS  78 -15.352  -3.069   5.683
  601    HA   HIS  78           HA       HIS  78 -12.665  -4.377   5.962
  602   1HB   HIS  78          1HB       HIS  78 -11.795  -2.126   5.301
  603   2HB   HIS  78          2HB       HIS  78 -12.831  -2.826   4.057
  604    HD1  HIS  78           HD1      HIS  78 -15.133  -1.721   3.652
  605    HD2  HIS  78           HD2      HIS  78 -12.931   0.107   6.683
  606    HE1  HIS  78           HE1      HIS  78 -16.314   0.456   4.183
  607    H    GLU  79           H        GLU  79 -11.870  -4.298   8.018
  608    HA   GLU  79           HA       GLU  79 -13.108  -2.369   9.943
  609   1HB   GLU  79          1HB       GLU  79 -13.113  -4.998  10.130
  610   2HB   GLU  79          2HB       GLU  79 -11.444  -4.782  10.649
  611   1HG   GLU  79          1HG       GLU  79 -12.074  -3.508  12.538
  612   2HG   GLU  79          2HG       GLU  79 -13.691  -3.207  11.903
  613    H    LEU  80           H        LEU  80 -11.475  -1.745  11.751
  614    HA   LEU  80           HA       LEU  80  -8.793  -1.204  10.515
  615   1HB   LEU  80          1HB       LEU  80 -10.793   0.459  12.014
  616   2HB   LEU  80          2HB       LEU  80  -9.083   0.841  12.215
  617    HG   LEU  80           HG       LEU  80 -10.157   0.426   9.445
  618   1HD1  LEU  80          1HD1      LEU  80 -11.084   2.456  11.300
  619   2HD1  LEU  80          2HD1      LEU  80 -11.613   2.136   9.649
  620   3HD1  LEU  80          3HD1      LEU  80 -10.232   3.193   9.943
  621   1HD2  LEU  80          1HD2      LEU  80  -7.688   0.836  10.213
  622   2HD2  LEU  80          2HD2      LEU  80  -8.206   2.511  10.394
  623   3HD2  LEU  80          3HD2      LEU  80  -8.307   1.722   8.820
  624    H    THR  81           H        THR  81  -6.998  -1.421  11.861
  625    HA   THR  81           HA       THR  81  -7.526  -2.700  14.519
  626    HB   THR  81           HB       THR  81  -5.357  -3.037  12.417
  627    HG1  THR  81           HG1      THR  81  -6.471  -4.726  11.877
  628   1HG2  THR  81          1HG2      THR  81  -5.148  -5.062  14.350
  629   2HG2  THR  81          2HG2      THR  81  -5.303  -3.561  15.262
  630   3HG2  THR  81          3HG2      THR  81  -4.013  -3.741  14.073
  631    H    ALA  82           H        ALA  82  -6.302  -1.952  16.289
  632    HA   ALA  82           HA       ALA  82  -5.082  -0.367  17.548
  633   1HB   ALA  82          1HB       ALA  82  -3.577  -0.984  15.042
  634   2HB   ALA  82          2HB       ALA  82  -3.095  -1.219  16.722
  635   3HB   ALA  82          3HB       ALA  82  -3.001   0.384  15.994
  636    H    GLY  83           H        GLY  83  -7.315   0.626  15.878
  637   1HA   GLY  83          1HA       GLY  83  -8.189   2.827  15.635
  638   2HA   GLY  83          2HA       GLY  83  -6.568   3.470  15.898
  639    H    LEU  84           H        LEU  84  -5.213   3.785  14.107
  640    HA   LEU  84           HA       LEU  84  -6.443   3.218  11.427
  641   1HB   LEU  84          1HB       LEU  84  -5.695   5.657  12.764
  642   2HB   LEU  84          2HB       LEU  84  -4.658   5.451  11.355
  643    HG   LEU  84           HG       LEU  84  -6.608   5.196   9.908
  644   1HD1  LEU  84          1HD1      LEU  84  -7.898   4.528  12.349
  645   2HD1  LEU  84          2HD1      LEU  84  -8.594   4.523  10.728
  646   3HD1  LEU  84          3HD1      LEU  84  -8.694   5.973  11.728
  647   1HD2  LEU  84          1HD2      LEU  84  -6.368   7.557  11.713
  648   2HD2  LEU  84          2HD2      LEU  84  -7.779   7.480  10.658
  649   3HD2  LEU  84          3HD2      LEU  84  -6.157   7.454   9.965
  650    H    LYS  85           H        LYS  85  -4.372   1.725  13.092
  651    HA   LYS  85           HA       LYS  85  -1.871   2.118  11.567
  652   1HB   LYS  85          1HB       LYS  85  -2.845   0.536  13.933
  653   2HB   LYS  85          2HB       LYS  85  -1.345   0.048  13.143
  654   1HG   LYS  85          1HG       LYS  85  -1.921   2.851  14.149
  655   2HG   LYS  85          2HG       LYS  85  -0.972   1.651  15.027
  656   1HD   LYS  85          1HD       LYS  85   0.855   2.170  13.819
  657   2HD   LYS  85          2HD       LYS  85  -0.009   1.822  12.320
  658   1HE   LYS  85          1HE       LYS  85   0.472   4.093  12.022
  659   2HE   LYS  85          2HE       LYS  85  -1.107   4.209  12.823
  660   1HZ   LYS  85          1HZ       LYS  85   1.567   4.288  14.128
  661   2HZ   LYS  85          2HZ       LYS  85   0.094   4.225  14.970
  662   3HZ   LYS  85          3HZ       LYS  85   0.464   5.573  14.007
  663    H    ARG  86           H        ARG  86  -3.562  -0.911  12.425
  664    HA   ARG  86           HA       ARG  86  -2.910  -1.950   9.705
  665   1HB   ARG  86          1HB       ARG  86  -3.201  -2.995  12.462
  666   2HB   ARG  86          2HB       ARG  86  -3.837  -4.053  11.202
  667   1HG   ARG  86          1HG       ARG  86  -1.766  -4.540  10.409
  668   2HG   ARG  86          2HG       ARG  86  -1.223  -2.868  10.550
  669   1HD   ARG  86          1HD       ARG  86  -0.208  -3.294  12.538
  670   2HD   ARG  86          2HD       ARG  86  -1.654  -4.104  13.170
  671    HE   ARG  86           HE       ARG  86  -0.452  -5.765  11.172
  672   1HH1  ARG  86          1HH1      ARG  86   0.090  -4.588  14.403
  673   2HH1  ARG  86          2HH1      ARG  86   1.016  -5.972  14.870
  674   1HH2  ARG  86          1HH2      ARG  86   0.753  -7.551  11.802
  675   2HH2  ARG  86          2HH2      ARG  86   1.390  -7.638  13.410
  676    H    MET  87           H        MET  87  -4.690  -3.676   9.011
  677    HA   MET  87           HA       MET  87  -7.420  -2.592   9.572
  678   1HB   MET  87          1HB       MET  87  -5.916  -2.884   6.981
  679   2HB   MET  87          2HB       MET  87  -7.674  -3.023   6.976
  680   1HG   MET  87          1HG       MET  87  -7.784  -0.816   8.181
  681   2HG   MET  87          2HG       MET  87  -6.038  -0.672   7.974
  682   1HE   MET  87          1HE       MET  87  -8.714  -2.105   5.073
  683   2HE   MET  87          2HE       MET  87  -9.425  -0.493   5.011
  684   3HE   MET  87          3HE       MET  87  -9.312  -1.348   6.549
  685    H    ARG  88           H        ARG  88  -9.091  -4.150   9.338
  686    HA   ARG  88           HA       ARG  88  -8.220  -6.980   8.861
  687   1HB   ARG  88          1HB       ARG  88  -8.277  -6.559  11.233
  688   2HB   ARG  88          2HB       ARG  88  -9.836  -5.750  11.109
  689   1HG   ARG  88          1HG       ARG  88 -10.564  -8.100  10.080
  690   2HG   ARG  88          2HG       ARG  88  -9.186  -8.663  11.021
  691   1HD   ARG  88          1HD       ARG  88 -11.474  -6.991  12.112
  692   2HD   ARG  88          2HD       ARG  88 -11.285  -8.737  12.362
  693    HE   ARG  88           HE       ARG  88  -8.855  -7.355  13.066
  694   1HH1  ARG  88          1HH1      ARG  88 -12.094  -7.996  14.170
  695   2HH1  ARG  88          2HH1      ARG  88 -11.675  -7.830  15.840
  696   1HH2  ARG  88          1HH2      ARG  88  -8.337  -7.145  15.241
  697   2HH2  ARG  88          2HH2      ARG  88  -9.566  -7.353  16.444
  698    H    ILE  89           H        ILE  89  -9.314  -7.316   6.908
  699    HA   ILE  89           HA       ILE  89 -12.064  -6.304   6.553
  700    HB   ILE  89           HB       ILE  89 -10.240  -8.017   4.821
  701   1HG1  ILE  89          1HG1      ILE  89 -10.731  -5.197   4.115
  702   2HG1  ILE  89          2HG1      ILE  89  -9.820  -5.419   5.609
  703   1HG2  ILE  89          1HG2      ILE  89 -11.731  -7.623   3.039
  704   2HG2  ILE  89          2HG2      ILE  89 -12.525  -6.291   3.879
  705   3HG2  ILE  89          3HG2      ILE  89 -12.805  -7.953   4.398
  706   1HD1  ILE  89          1HD1      ILE  89  -8.530  -5.334   3.326
  707   2HD1  ILE  89          2HD1      ILE  89  -9.085  -7.000   3.157
  708   3HD1  ILE  89          3HD1      ILE  89  -8.072  -6.542   4.527
  709    H    PHE  90           H        PHE  90 -13.904  -7.599   6.601
  710    HA   PHE  90           HA       PHE  90 -13.504 -10.525   7.132
  711   1HB   PHE  90          1HB       PHE  90 -14.784  -8.362   8.673
  712   2HB   PHE  90          2HB       PHE  90 -15.808  -9.785   8.481
  713    HD1  PHE  90           HD1      PHE  90 -15.571 -11.506  10.036
  714    HD2  PHE  90           HD2      PHE  90 -12.227  -8.936   9.224
  715    HE1  PHE  90           HE1      PHE  90 -14.241 -12.691  11.762
  716    HE2  PHE  90           HE2      PHE  90 -10.900 -10.120  10.950
  717    HZ   PHE  90           HZ       PHE  90 -11.902 -11.995  12.215
  718    H    THR  91           H        THR  91 -16.113 -11.331   7.166
  719    HA   THR  91           HA       THR  91 -17.199 -10.439   4.515
  720    HB   THR  91           HB       THR  91 -17.869 -12.893   4.328
  721    HG1  THR  91           HG1      THR  91 -17.715 -13.791   6.239
  722   1HG2  THR  91          1HG2      THR  91 -15.992 -12.312   3.041
  723   2HG2  THR  91          2HG2      THR  91 -15.379 -13.627   4.043
  724   3HG2  THR  91          3HG2      THR  91 -15.011 -11.954   4.463
  725    H    ILE  92           H        ILE  92 -18.864  -9.126   5.385
  726    HA   ILE  92           HA       ILE  92 -20.508  -9.743   7.623
  727    HB   ILE  92           HB       ILE  92 -21.978  -8.028   6.603
  728   1HG1  ILE  92          1HG1      ILE  92 -20.180  -8.279   4.174
  729   2HG1  ILE  92          2HG1      ILE  92 -21.801  -8.966   4.275
  730   1HG2  ILE  92          1HG2      ILE  92 -20.427  -6.566   7.328
  731   2HG2  ILE  92          2HG2      ILE  92 -19.602  -6.694   5.775
  732   3HG2  ILE  92          3HG2      ILE  92 -19.163  -7.774   7.099
  733   1HD1  ILE  92          1HD1      ILE  92 -22.783  -6.951   3.941
  734   2HD1  ILE  92          2HD1      ILE  92 -21.193  -6.403   3.410
  735   3HD1  ILE  92          3HD1      ILE  92 -21.702  -6.148   5.079
  736    H    LYS  93           H        LYS  93 -20.453 -11.117   4.448
  737    HA   LYS  93           HA       LYS  93 -22.882 -12.709   5.103
  738   1HB   LYS  93          1HB       LYS  93 -22.328 -11.058   2.617
  739   2HB   LYS  93          2HB       LYS  93 -23.580 -12.298   2.678
  740   1HG   LYS  93          1HG       LYS  93 -24.056 -10.821   4.973
  741   2HG   LYS  93          2HG       LYS  93 -23.579  -9.592   3.802
  742   1HD   LYS  93          1HD       LYS  93 -25.570 -11.727   3.055
  743   2HD   LYS  93          2HD       LYS  93 -26.091 -10.284   3.925
  744   1HE   LYS  93          1HE       LYS  93 -24.835  -8.954   2.085
  745   2HE   LYS  93          2HE       LYS  93 -24.862 -10.472   1.168
  746   1HZ   LYS  93          1HZ       LYS  93 -27.191  -9.027   2.327
  747   2HZ   LYS  93          2HZ       LYS  93 -27.282 -10.591   1.670
  748   3HZ   LYS  93          3HZ       LYS  93 -26.864  -9.276   0.679
  749    HA   PRO  94           HA       PRO  94 -20.223 -16.063   3.952
  750   1HB   PRO  94          1HB       PRO  94 -22.800 -17.101   2.873
  751   2HB   PRO  94          2HB       PRO  94 -21.564 -17.939   3.828
  752   1HG   PRO  94          1HG       PRO  94 -23.729 -17.049   4.972
  753   2HG   PRO  94          2HG       PRO  94 -22.191 -16.868   5.774
  754   1HD   PRO  94          1HD       PRO  94 -23.881 -14.833   4.407
  755   2HD   PRO  94          2HD       PRO  94 -22.832 -14.664   5.829
  756    H    ILE  95           H        ILE  95 -19.003 -16.383   2.069
  757    HA   ILE  95           HA       ILE  95 -20.201 -15.394  -0.498
  758    HB   ILE  95           HB       ILE  95 -17.374 -15.413   0.616
  759   1HG1  ILE  95          1HG1      ILE  95 -19.033 -13.081  -0.357
  760   2HG1  ILE  95          2HG1      ILE  95 -19.111 -13.651   1.310
  761   1HG2  ILE  95          1HG2      ILE  95 -17.034 -15.845  -1.685
  762   2HG2  ILE  95          2HG2      ILE  95 -16.923 -14.089  -1.567
  763   3HG2  ILE  95          3HG2      ILE  95 -18.403 -14.841  -2.164
  764   1HD1  ILE  95          1HD1      ILE  95 -17.465 -11.950   1.356
  765   2HD1  ILE  95          2HD1      ILE  95 -16.749 -12.485  -0.165
  766   3HD1  ILE  95          3HD1      ILE  95 -16.535 -13.447   1.297
  767    H    ALA  96           H        ALA  96 -20.044 -16.750  -2.298
  768    HA   ALA  96           HA       ALA  96 -19.368 -19.572  -1.758
  769   1HB   ALA  96          1HB       ALA  96 -21.439 -18.967  -2.914
  770   2HB   ALA  96          2HB       ALA  96 -20.389 -19.819  -4.047
  771   3HB   ALA  96          3HB       ALA  96 -20.532 -18.063  -4.126
  772    H    ILE  97           H        ILE  97 -18.020 -20.773  -3.356
  773    HA   ILE  97           HA       ILE  97 -15.462 -19.557  -3.771
  774    HB   ILE  97           HB       ILE  97 -16.789 -22.011  -4.984
  775   1HG1  ILE  97          1HG1      ILE  97 -14.811 -22.058  -2.731
  776   2HG1  ILE  97          2HG1      ILE  97 -16.485 -21.632  -2.379
  777   1HG2  ILE  97          1HG2      ILE  97 -14.332 -20.808  -5.641
  778   2HG2  ILE  97          2HG2      ILE  97 -14.853 -22.441  -6.056
  779   3HG2  ILE  97          3HG2      ILE  97 -13.920 -22.160  -4.586
  780   1HD1  ILE  97          1HD1      ILE  97 -16.961 -23.781  -3.890
  781   2HD1  ILE  97          2HD1      ILE  97 -16.629 -23.929  -2.164
  782   3HD1  ILE  97          3HD1      ILE  97 -15.346 -24.224  -3.337
  783    H    GLY  98           H        GLY  98 -15.088 -17.964  -5.264
  784   1HA   GLY  98          1HA       GLY  98 -14.780 -17.336  -7.591
  785   2HA   GLY  98          2HA       GLY  98 -16.155 -18.357  -8.014
  786    H    GLU  99           H        GLU  99 -15.959 -15.929  -5.418
  787    HA   GLU  99           HA       GLU  99 -18.250 -14.509  -6.735
  788   1HB   GLU  99          1HB       GLU  99 -17.546 -15.371  -4.011
  789   2HB   GLU  99          2HB       GLU  99 -18.091 -13.695  -4.083
  790   1HG   GLU  99          1HG       GLU  99 -19.732 -15.448  -5.743
  791   2HG   GLU  99          2HG       GLU  99 -19.729 -15.954  -4.053
  792    H    GLU 100           H        GLU 100 -18.267 -12.077  -5.891
  793    HA   GLU 100           HA       GLU 100 -15.514 -10.985  -6.356
  794   1HB   GLU 100          1HB       GLU 100 -17.767 -10.651  -7.822
  795   2HB   GLU 100          2HB       GLU 100 -17.974  -9.327  -6.676
  796   1HG   GLU 100          1HG       GLU 100 -15.235  -9.491  -7.680
  797   2HG   GLU 100          2HG       GLU 100 -16.405  -9.267  -8.980
  798    H    ILE 101           H        ILE 101 -14.628 -10.217  -4.492
  799    HA   ILE 101           HA       ILE 101 -16.350  -9.369  -2.245
  800    HB   ILE 101           HB       ILE 101 -13.345  -9.627  -2.598
  801   1HG1  ILE 101          1HG1      ILE 101 -15.381 -11.438  -1.267
  802   2HG1  ILE 101          2HG1      ILE 101 -14.565 -11.763  -2.797
  803   1HG2  ILE 101          1HG2      ILE 101 -13.099  -9.189  -0.319
  804   2HG2  ILE 101          2HG2      ILE 101 -14.780  -9.583   0.039
  805   3HG2  ILE 101          3HG2      ILE 101 -14.381  -8.060  -0.755
  806   1HD1  ILE 101          1HD1      ILE 101 -12.672 -11.083  -0.686
  807   2HD1  ILE 101          2HD1      ILE 101 -12.706 -12.494  -1.743
  808   3HD1  ILE 101          3HD1      ILE 101 -13.654 -12.484  -0.256
  809    H    THR 102           H        THR 102 -16.880  -7.277  -1.955
  810    HA   THR 102           HA       THR 102 -15.007  -5.094  -2.597
  811    HB   THR 102           HB       THR 102 -16.859  -4.032  -4.038
  812    HG1  THR 102           HG1      THR 102 -17.734  -6.708  -4.247
  813   1HG2  THR 102          1HG2      THR 102 -15.780  -6.619  -5.172
  814   2HG2  THR 102          2HG2      THR 102 -14.749  -5.218  -4.879
  815   3HG2  THR 102          3HG2      THR 102 -16.088  -5.105  -6.021
  816    H    ILE 103           H        ILE 103 -15.379  -3.404  -1.143
  817    HA   ILE 103           HA       ILE 103 -17.760  -3.672   0.635
  818    HB   ILE 103           HB       ILE 103 -16.413  -2.287   2.158
  819   1HG1  ILE 103          1HG1      ILE 103 -13.922  -2.157   0.812
  820   2HG1  ILE 103          2HG1      ILE 103 -15.132  -1.529  -0.307
  821   1HG2  ILE 103          1HG2      ILE 103 -15.183  -4.082   2.764
  822   2HG2  ILE 103          2HG2      ILE 103 -14.233  -4.021   1.279
  823   3HG2  ILE 103          3HG2      ILE 103 -15.785  -4.859   1.299
  824   1HD1  ILE 103          1HD1      ILE 103 -15.900  -0.380   2.074
  825   2HD1  ILE 103          2HD1      ILE 103 -14.907   0.412   0.851
  826   3HD1  ILE 103          3HD1      ILE 103 -14.142  -0.391   2.222
  827    H    SER 104           H        SER 104 -18.665  -1.476   1.398
  828    HA   SER 104           HA       SER 104 -19.043   0.268  -1.002
  829   1HB   SER 104          1HB       SER 104 -21.148   0.869   0.155
  830   2HB   SER 104          2HB       SER 104 -21.002  -0.883   0.016
  831    HG   SER 104           HG       SER 104 -21.533   0.222   2.165
  832    H    TYR 105           H        TYR 105 -19.967   2.565   0.200
  833    HA   TYR 105           HA       TYR 105 -17.655   3.458   1.897
  834   1HB   TYR 105          1HB       TYR 105 -19.211   5.060  -0.168
  835   2HB   TYR 105          2HB       TYR 105 -17.725   5.546   0.645
  836    HD1  TYR 105           HD1      TYR 105 -16.227   2.922   0.509
  837    HD2  TYR 105           HD2      TYR 105 -18.522   5.041  -2.443
  838    HE1  TYR 105           HE1      TYR 105 -14.898   1.855  -1.293
  839    HE2  TYR 105           HE2      TYR 105 -17.190   3.973  -4.243
  840    HH   TYR 105           HH       TYR 105 -15.348   1.302  -3.825
  841    H    GLY 106           H        GLY 106 -20.921   4.551   0.889
  842   1HA   GLY 106          1HA       GLY 106 -22.699   5.391   2.165
  843   2HA   GLY 106          2HA       GLY 106 -22.000   4.539   3.541
  844    H    ASP 107           H        ASP 107 -23.174   7.117   3.744
  845    HA   ASP 107           HA       ASP 107 -22.724   9.223   4.700
  846   1HB   ASP 107          1HB       ASP 107 -20.996   7.271   5.754
  847   2HB   ASP 107          2HB       ASP 107 -19.951   8.647   5.397
  848    H    ASP 108           H        ASP 108 -22.558  10.801   3.170
  849    HA   ASP 108           HA       ASP 108 -21.620  12.303   1.634
  850   1HB   ASP 108          1HB       ASP 108 -20.145  12.667   3.536
  851   2HB   ASP 108          2HB       ASP 108 -19.176  11.266   3.098
  852    H    TYR 109           H        TYR 109 -18.898  10.010   1.637
  853    HA   TYR 109           HA       TYR 109 -18.274  10.015  -1.045
  854   1HB   TYR 109          1HB       TYR 109 -17.790   8.443   1.263
  855   2HB   TYR 109          2HB       TYR 109 -18.193   7.308  -0.025
  856    HD1  TYR 109           HD1      TYR 109 -16.577   6.724  -1.622
  857    HD2  TYR 109           HD2      TYR 109 -16.069  10.311   0.685
  858    HE1  TYR 109           HE1      TYR 109 -14.322   7.036  -2.605
  859    HE2  TYR 109           HE2      TYR 109 -13.814  10.624  -0.297
  860    HH   TYR 109           HH       TYR 109 -12.027   8.616  -1.472
  861    H    TRP 110           H        TRP 110 -19.700   9.854  -2.733
  862    HA   TRP 110           HA       TRP 110 -21.422   9.011  -4.112
  863   1HB   TRP 110          1HB       TRP 110 -19.658   6.954  -3.139
  864   2HB   TRP 110          2HB       TRP 110 -21.276   6.273  -3.317
  865    HD1  TRP 110           HD1      TRP 110 -22.394   6.364  -5.751
  866    HE1  TRP 110           HE1      TRP 110 -21.341   6.526  -8.099
  867    HE3  TRP 110           HE3      TRP 110 -17.693   7.921  -4.503
  868    HZ2  TRP 110           HZ2      TRP 110 -18.835   7.224  -9.290
  869    HZ3  TRP 110           HZ3      TRP 110 -15.995   8.326  -6.262
  870    HH2  TRP 110           HH2      TRP 110 -16.559   7.980  -8.651
  871    H    LEU 111           H        LEU 111 -23.145   6.818  -3.714
  872    HA   LEU 111           HA       LEU 111 -25.316   7.882  -2.309
  873   1HB   LEU 111          1HB       LEU 111 -24.804   5.705  -3.845
  874   2HB   LEU 111          2HB       LEU 111 -24.924   4.925  -2.268
  875    HG   LEU 111           HG       LEU 111 -27.019   6.926  -3.026
  876   1HD1  LEU 111          1HD1      LEU 111 -27.333   5.734  -4.967
  877   2HD1  LEU 111          2HD1      LEU 111 -28.201   4.658  -3.871
  878   3HD1  LEU 111          3HD1      LEU 111 -26.538   4.293  -4.333
  879   1HD2  LEU 111          1HD2      LEU 111 -28.408   5.295  -1.716
  880   2HD2  LEU 111          2HD2      LEU 111 -27.062   5.963  -0.793
  881   3HD2  LEU 111          3HD2      LEU 111 -26.954   4.332  -1.456
  882    H    SER 112           H        SER 112 -25.990   7.835  -0.165
  883    HA   SER 112           HA       SER 112 -24.019   7.287   1.901
  884   1HB   SER 112          1HB       SER 112 -26.248   8.864   1.579
  885   2HB   SER 112          2HB       SER 112 -26.878   7.584   2.616
  886    HG   SER 112           HG       SER 112 -24.870   9.463   3.101
  887    H    ARG 113           H        ARG 113 -26.031   6.201   3.807
  888    HA   ARG 113           HA       ARG 113 -25.452   3.479   3.818
  889   1HB   ARG 113          1HB       ARG 113 -27.982   4.927   4.668
  890   2HB   ARG 113          2HB       ARG 113 -27.505   3.329   5.238
  891   1HG   ARG 113          1HG       ARG 113 -25.260   4.542   5.878
  892   2HG   ARG 113          2HG       ARG 113 -26.252   5.999   5.814
  893   1HD   ARG 113          1HD       ARG 113 -27.777   5.104   7.487
  894   2HD   ARG 113          2HD       ARG 113 -26.947   3.536   7.458
  895    HE   ARG 113           HE       ARG 113 -26.002   5.941   8.809
  896   1HH1  ARG 113          1HH1      ARG 113 -25.041   3.032   7.156
  897   2HH1  ARG 113          2HH1      ARG 113 -23.508   2.955   7.952
  898   1HH2  ARG 113          1HH2      ARG 113 -24.006   5.819   9.830
  899   2HH2  ARG 113          2HH2      ARG 113 -22.924   4.519   9.455
  900    HA   PRO 114           HA       PRO 114 -27.858   2.460   0.110
  901   1HB   PRO 114          1HB       PRO 114 -26.652   0.019  -0.301
  902   2HB   PRO 114          2HB       PRO 114 -25.960   1.552  -0.861
  903   1HG   PRO 114          1HG       PRO 114 -25.248  -0.106   1.498
  904   2HG   PRO 114          2HG       PRO 114 -24.210   0.861   0.443
  905   1HD   PRO 114          1HD       PRO 114 -25.036   1.634   2.949
  906   2HD   PRO 114          2HD       PRO 114 -24.535   2.757   1.670
  907    H    ARG 115           H        ARG 115 -29.841   2.120   1.240
  908    HA   ARG 115           HA       ARG 115 -30.222  -0.233   2.945
  909   1HB   ARG 115          1HB       ARG 115 -31.564   2.254   2.194
  910   2HB   ARG 115          2HB       ARG 115 -32.695   0.903   2.270
  911   1HG   ARG 115          1HG       ARG 115 -32.705   1.154   4.512
  912   2HG   ARG 115          2HG       ARG 115 -31.035   0.587   4.513
  913   1HD   ARG 115          1HD       ARG 115 -30.162   2.757   4.616
  914   2HD   ARG 115          2HD       ARG 115 -31.614   3.479   3.896
  915    HE   ARG 115           HE       ARG 115 -32.232   2.144   6.392
  916   1HH1  ARG 115          1HH1      ARG 115 -30.858   5.037   5.026
  917   2HH1  ARG 115          2HH1      ARG 115 -31.249   6.005   6.405
  918   1HH2  ARG 115          1HH2      ARG 115 -32.728   3.422   8.169
  919   2HH2  ARG 115          2HH2      ARG 115 -32.300   5.100   8.172
  920    H    LEU 116           H        LEU 116 -30.033  -2.125   1.689
  921    HA   LEU 116           HA       LEU 116 -32.111  -2.458  -0.442
  922   1HB   LEU 116          1HB       LEU 116 -29.300  -2.271  -0.745
  923   2HB   LEU 116          2HB       LEU 116 -29.693  -3.978  -0.951
  924    HG   LEU 116           HG       LEU 116 -31.680  -2.908  -2.420
  925   1HD1  LEU 116          1HD1      LEU 116 -29.517  -1.089  -3.307
  926   2HD1  LEU 116          2HD1      LEU 116 -30.310  -0.639  -1.797
  927   3HD1  LEU 116          3HD1      LEU 116 -31.262  -0.830  -3.269
  928   1HD2  LEU 116          1HD2      LEU 116 -30.396  -3.494  -4.358
  929   2HD2  LEU 116          2HD2      LEU 116 -29.854  -4.564  -3.064
  930   3HD2  LEU 116          3HD2      LEU 116 -28.875  -3.172  -3.525
  931    H    THR 117           H        THR 117 -32.909  -4.630  -0.623
  932    HA   THR 117           HA       THR 117 -32.127  -6.437   1.644
  933    HB   THR 117           HB       THR 117 -34.845  -6.313   0.324
  934    HG1  THR 117           HG1      THR 117 -34.019  -4.804   2.572
  935   1HG2  THR 117          1HG2      THR 117 -33.666  -7.356   2.880
  936   2HG2  THR 117          2HG2      THR 117 -34.770  -8.150   1.757
  937   3HG2  THR 117          3HG2      THR 117 -35.368  -6.896   2.843
  938    H    GLN 118           H        GLN 118 -32.529  -8.775   1.154
  939    HA   GLN 118           HA       GLN 118 -31.314  -9.675  -1.223
  940   1HB   GLN 118          1HB       GLN 118 -32.314 -10.727   1.135
  941   2HB   GLN 118          2HB       GLN 118 -33.375 -11.447  -0.077
  942   1HG   GLN 118          1HG       GLN 118 -31.715 -12.747  -0.925
  943   2HG   GLN 118          2HG       GLN 118 -30.526 -11.448  -0.827
  944   1HE2  GLN 118          1HE2      GLN 118 -29.204 -11.324   1.080
  945   2HE2  GLN 118          2HE2      GLN 118 -29.254 -12.495   2.308
  946    H    ASN 119           H        ASN 119 -32.169  -8.870  -3.166
  947    HA   ASN 119           HA       ASN 119 -33.700  -8.646  -4.952
  948   1HB   ASN 119          1HB       ASN 119 -33.800 -11.261  -3.778
  949   2HB   ASN 119          2HB       ASN 119 -35.437 -10.824  -4.266
  950   1HD2  ASN 119          1HD2      ASN 119 -32.107 -10.442  -5.638
  951   2HD2  ASN 119          2HD2      ASN 119 -32.549 -10.907  -7.210
  952   1H    GLY 201          1H        GLY 201 -28.688  38.238 -18.073
  953   2H    GLY 201          2H        GLY 201 -28.073  38.437 -16.503
  954   3H    GLY 201          3H        GLY 201 -29.417  37.434 -16.767
  955   1HA   GLY 201          1HA       GLY 201 -28.105  35.861 -17.977
  956   2HA   GLY 201          2HA       GLY 201 -26.709  36.934 -17.873
  957    H    LYS 202           H        LYS 202 -26.253  37.626 -15.464
  958    HA   LYS 202           HA       LYS 202 -25.484  36.879 -13.359
  959   1HB   LYS 202          1HB       LYS 202 -28.266  36.438 -13.700
  960   2HB   LYS 202          2HB       LYS 202 -27.641  35.005 -12.884
  961   1HG   LYS 202          1HG       LYS 202 -26.958  36.200 -11.017
  962   2HG   LYS 202          2HG       LYS 202 -26.736  37.695 -11.927
  963   1HD   LYS 202          1HD       LYS 202 -28.755  38.351 -11.165
  964   2HD   LYS 202          2HD       LYS 202 -29.467  37.097 -12.179
  965   1HE   LYS 202          1HE       LYS 202 -29.270  35.471 -10.331
  966   2HE   LYS 202          2HE       LYS 202 -28.526  36.716  -9.311
  967   1HZ   LYS 202          1HZ       LYS 202 -30.493  38.095  -9.636
  968   2HZ   LYS 202          2HZ       LYS 202 -30.926  36.605  -8.946
  969   3HZ   LYS 202          3HZ       LYS 202 -31.206  36.891 -10.597
  970    H    ALA 203           H        ALA 203 -25.604  34.452 -12.069
  971    HA   ALA 203           HA       ALA 203 -24.554  32.462 -14.049
  972   1HB   ALA 203          1HB       ALA 203 -22.965  33.997 -12.501
  973   2HB   ALA 203          2HB       ALA 203 -22.553  32.326 -12.888
  974   3HB   ALA 203          3HB       ALA 203 -23.308  32.713 -11.342
  975    HA   PRO 204           HA       PRO 204 -27.057  29.492 -12.009
  976   1HB   PRO 204          1HB       PRO 204 -24.742  27.636 -11.872
  977   2HB   PRO 204          2HB       PRO 204 -26.292  27.435 -12.708
  978   1HG   PRO 204          1HG       PRO 204 -23.989  27.908 -14.016
  979   2HG   PRO 204          2HG       PRO 204 -25.556  28.487 -14.598
  980   1HD   PRO 204          1HD       PRO 204 -23.350  29.990 -13.288
  981   2HD   PRO 204          2HD       PRO 204 -24.509  30.523 -14.525
  982    H    ARG 205           H        ARG 205 -27.577  29.510  -9.859
  983    HA   ARG 205           HA       ARG 205 -25.512  30.061  -7.838
  984   1HB   ARG 205          1HB       ARG 205 -28.219  30.601  -8.227
  985   2HB   ARG 205          2HB       ARG 205 -28.226  29.395  -6.940
  986   1HG   ARG 205          1HG       ARG 205 -26.179  31.014  -6.128
  987   2HG   ARG 205          2HG       ARG 205 -27.244  32.183  -6.908
  988   1HD   ARG 205          1HD       ARG 205 -28.727  30.284  -5.239
  989   2HD   ARG 205          2HD       ARG 205 -27.544  31.229  -4.313
  990    HE   ARG 205           HE       ARG 205 -28.693  33.117  -5.961
  991   1HH1  ARG 205          1HH1      ARG 205 -29.970  30.718  -3.785
  992   2HH1  ARG 205          2HH1      ARG 205 -31.380  31.647  -3.413
  993   1HH2  ARG 205          1HH2      ARG 205 -30.532  34.304  -5.462
  994   2HH2  ARG 205          2HH2      ARG 205 -31.698  33.662  -4.354
  995    H    LYS 206           H        LYS 206 -24.274  28.250  -7.353
  996    HA   LYS 206           HA       LYS 206 -25.756  25.839  -6.390
  997   1HB   LYS 206          1HB       LYS 206 -24.059  26.168  -8.733
  998   2HB   LYS 206          2HB       LYS 206 -23.393  24.949  -7.645
  999   1HG   LYS 206          1HG       LYS 206 -26.291  24.992  -8.531
 1000   2HG   LYS 206          2HG       LYS 206 -25.041  24.050  -9.343
 1001   1HD   LYS 206          1HD       LYS 206 -25.457  23.806  -6.368
 1002   2HD   LYS 206          2HD       LYS 206 -26.456  22.886  -7.492
 1003   1HE   LYS 206          1HE       LYS 206 -24.697  21.540  -8.155
 1004   2HE   LYS 206          2HE       LYS 206 -23.499  22.830  -7.940
 1005   1HZ   LYS 206          1HZ       LYS 206 -24.075  22.673  -5.489
 1006   2HZ   LYS 206          2HZ       LYS 206 -23.177  21.381  -6.129
 1007   3HZ   LYS 206          3HZ       LYS 206 -24.844  21.204  -5.855
 1008    H    GLN 207           H        GLN 207 -24.698  24.758  -4.671
 1009    HA   GLN 207           HA       GLN 207 -22.977  26.276  -2.977
 1010   1HB   GLN 207          1HB       GLN 207 -24.080  23.526  -3.193
 1011   2HB   GLN 207          2HB       GLN 207 -22.635  23.679  -2.194
 1012   1HG   GLN 207          1HG       GLN 207 -23.676  25.236  -0.737
 1013   2HG   GLN 207          2HG       GLN 207 -24.982  25.555  -1.878
 1014   1HE2  GLN 207          1HE2      GLN 207 -26.780  24.814  -0.655
 1015   2HE2  GLN 207          2HE2      GLN 207 -26.936  23.222  -0.086
 1016    H    LEU 208           H        LEU 208 -20.724  25.690  -2.366
 1017    HA   LEU 208           HA       LEU 208 -19.173  24.668  -4.723
 1018   1HB   LEU 208          1HB       LEU 208 -18.712  26.827  -2.653
 1019   2HB   LEU 208          2HB       LEU 208 -17.378  26.183  -3.609
 1020    HG   LEU 208           HG       LEU 208 -19.892  27.098  -4.981
 1021   1HD1  LEU 208          1HD1      LEU 208 -18.516  28.796  -3.301
 1022   2HD1  LEU 208          2HD1      LEU 208 -19.458  29.308  -4.701
 1023   3HD1  LEU 208          3HD1      LEU 208 -17.716  29.072  -4.848
 1024   1HD2  LEU 208          1HD2      LEU 208 -17.102  26.394  -5.663
 1025   2HD2  LEU 208          2HD2      LEU 208 -17.738  27.808  -6.504
 1026   3HD2  LEU 208          3HD2      LEU 208 -18.567  26.257  -6.636
 1027    H    ALA 209           H        ALA 209 -19.727  24.418  -1.277
 1028    HA   ALA 209           HA       ALA 209 -17.933  22.047  -1.196
 1029   1HB   ALA 209          1HB       ALA 209 -16.425  23.048   0.197
 1030   2HB   ALA 209          2HB       ALA 209 -17.694  23.832   1.137
 1031   3HB   ALA 209          3HB       ALA 209 -17.127  24.565  -0.364
 1032    H    THR 210           H        THR 210 -18.851  20.436   0.040
 1033    HA   THR 210           HA       THR 210 -20.957  21.196   2.026
 1034    HB   THR 210           HB       THR 210 -21.117  19.005  -0.077
 1035    HG1  THR 210           HG1      THR 210 -22.553  20.363  -1.092
 1036   1HG2  THR 210          1HG2      THR 210 -22.443  19.263   2.366
 1037   2HG2  THR 210          2HG2      THR 210 -22.955  18.263   1.008
 1038   3HG2  THR 210          3HG2      THR 210 -23.590  19.898   1.187
 1039    H    LYS 211           H        LYS 211 -18.826  20.687   3.309
 1040    HA   LYS 211           HA       LYS 211 -17.648  19.210   4.728
 1041   1HB   LYS 211          1HB       LYS 211 -20.252  17.701   4.283
 1042   2HB   LYS 211          2HB       LYS 211 -19.123  17.403   5.605
 1043   1HG   LYS 211          1HG       LYS 211 -19.599  19.447   6.643
 1044   2HG   LYS 211          2HG       LYS 211 -20.200  20.174   5.154
 1045   1HD   LYS 211          1HD       LYS 211 -22.271  19.130   5.321
 1046   2HD   LYS 211          2HD       LYS 211 -21.634  17.794   6.281
 1047   1HE   LYS 211          1HE       LYS 211 -22.080  18.886   8.223
 1048   2HE   LYS 211          2HE       LYS 211 -21.310  20.372   7.634
 1049   1HZ   LYS 211          1HZ       LYS 211 -23.243  20.991   6.484
 1050   2HZ   LYS 211          2HZ       LYS 211 -23.817  20.443   7.986
 1051   3HZ   LYS 211          3HZ       LYS 211 -23.935  19.446   6.616
 1052    H    ALA 212           H        ALA 212 -16.119  18.747   2.904
 1053    HA   ALA 212           HA       ALA 212 -16.535  16.412   1.214
 1054   1HB   ALA 212          1HB       ALA 212 -14.070  18.039   1.945
 1055   2HB   ALA 212          2HB       ALA 212 -15.157  18.375   0.598
 1056   3HB   ALA 212          3HB       ALA 212 -14.176  16.910   0.593
 1057    H    ALA 213           H        ALA 213 -16.831  14.565   2.539
 1058    HA   ALA 213           HA       ALA 213 -14.661  13.938   4.500
 1059   1HB   ALA 213          1HB       ALA 213 -17.010  13.992   5.285
 1060   2HB   ALA 213          2HB       ALA 213 -16.365  12.353   5.381
 1061   3HB   ALA 213          3HB       ALA 213 -17.448  12.799   4.062
 1062    H    ARG 214           H        ARG 214 -13.876  11.676   4.513
 1063    HA   ARG 214           HA       ARG 214 -13.508  10.648   1.767
 1064   1HB   ARG 214          1HB       ARG 214 -12.416   9.746   4.460
 1065   2HB   ARG 214          2HB       ARG 214 -11.788   9.280   2.880
 1066   1HG   ARG 214          1HG       ARG 214 -11.957  12.167   3.769
 1067   2HG   ARG 214          2HG       ARG 214 -10.535  11.166   4.062
 1068   1HD   ARG 214          1HD       ARG 214  -9.949  12.075   2.000
 1069   2HD   ARG 214          2HD       ARG 214 -10.848  10.653   1.438
 1070    HE   ARG 214           HE       ARG 214 -12.607  12.902   1.977
 1071   1HH1  ARG 214          1HH1      ARG 214 -10.411  11.524  -0.346
 1072   2HH1  ARG 214          2HH1      ARG 214 -11.169  12.304  -1.690
 1073   1HH2  ARG 214          1HH2      ARG 214 -13.574  13.904   0.215
 1074   2HH2  ARG 214          2HH2      ARG 214 -12.946  13.642  -1.378
 1075   1HN   MLZ 215          1HN       MLZ 215 -13.105   7.877   2.748
 1076    HA   MLZ 215           HA       MLZ 215 -15.803   6.888   2.359
 1077   1HB   MLZ 215          1HB       MLZ 215 -13.039   5.856   2.781
 1078   2HB   MLZ 215          2HB       MLZ 215 -14.350   4.748   3.185
 1079   1HG   MLZ 215          1HG       MLZ 215 -14.666   6.210   0.627
 1080   2HG   MLZ 215          2HG       MLZ 215 -15.000   4.520   1.006
 1081   1HD   MLZ 215          1HD       MLZ 215 -12.201   5.648   0.735
 1082   2HD   MLZ 215          2HD       MLZ 215 -12.660   3.950   0.857
 1083   1HE   MLZ 215          1HE       MLZ 215 -12.563   5.651  -1.508
 1084   2HE   MLZ 215          2HE       MLZ 215 -14.160   4.906  -1.308
 1085    HZ   MLZ 215           HZ       MLZ 215 -13.170   2.772  -1.076
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -11.501   3.865  -3.229
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -13.250   4.005  -3.359
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -12.502   2.418  -3.221
 1089    H    SER 216           H        SER 216 -17.249   6.122   3.909
 1090    HA   SER 216           HA       SER 216 -18.174   5.742   6.050
 1091   1HB   SER 216          1HB       SER 216 -16.270   7.607   7.327
 1092   2HB   SER 216          2HB       SER 216 -17.038   8.253   5.876
 1093    HG   SER 216           HG       SER 216 -18.592   8.660   7.237
 1094    H    ALA 217           H        ALA 217 -17.340   5.378   8.500
 1095    HA   ALA 217           HA       ALA 217 -15.149   3.371   8.279
 1096   1HB   ALA 217          1HB       ALA 217 -15.084   5.988   9.563
 1097   2HB   ALA 217          2HB       ALA 217 -13.758   4.861   9.281
 1098   3HB   ALA 217          3HB       ALA 217 -14.757   4.703  10.725
 1099    HA   PRO 218           HA       PRO 218 -18.072   1.181  10.790
 1100   1HB   PRO 218          1HB       PRO 218 -16.410  -0.840  11.656
 1101   2HB   PRO 218          2HB       PRO 218 -17.127  -0.796  10.035
 1102   1HG   PRO 218          1HG       PRO 218 -14.381  -0.067  10.920
 1103   2HG   PRO 218          2HG       PRO 218 -14.911  -0.871   9.436
 1104   1HD   PRO 218          1HD       PRO 218 -14.210   1.765   9.567
 1105   2HD   PRO 218          2HD       PRO 218 -15.354   1.109   8.377
 1106    H    ALA 219           H        ALA 219 -17.626  -0.108  13.158
 1107    HA   ALA 219           HA       ALA 219 -16.650   2.093  14.932
 1108   1HB   ALA 219          1HB       ALA 219 -18.088   0.005  16.287
 1109   2HB   ALA 219          2HB       ALA 219 -18.961   0.408  14.809
 1110   3HB   ALA 219          3HB       ALA 219 -18.606   1.665  15.994
 1111    H    THR 220           H        THR 220 -15.188   1.582  16.634
 1112    HA   THR 220           HA       THR 220 -14.107  -1.202  16.704
 1113    HB   THR 220           HB       THR 220 -12.437   1.331  16.539
 1114    HG1  THR 220           HG1      THR 220 -12.610   1.193  14.464
 1115   1HG2  THR 220          1HG2      THR 220 -11.580  -1.498  15.941
 1116   2HG2  THR 220          2HG2      THR 220 -11.564  -0.877  17.592
 1117   3HG2  THR 220          3HG2      THR 220 -10.576  -0.107  16.350
 1118    H    GLY 221           H        GLY 221 -14.706  -1.651  18.828
 1119   1HA   GLY 221          1HA       GLY 221 -13.515   0.099  20.922
 1120   2HA   GLY 221          2HA       GLY 221 -15.214  -0.355  21.049
 1121   1H    MET   1          1H        MET   1  -0.362 -12.502   6.028
 1122   2H    MET   1          2H        MET   1  -0.243 -12.127   4.376
 1123   3H    MET   1          3H        MET   1  -0.838 -10.971   5.468
 1124    HA   MET   1           HA       MET   1   1.416 -10.393   4.913
 1125   1HB   MET   1          1HB       MET   1   0.546 -11.397   7.586
 1126   2HB   MET   1          2HB       MET   1   2.246 -10.960   7.424
 1127   1HG   MET   1          1HG       MET   1   0.435  -9.003   6.201
 1128   2HG   MET   1          2HG       MET   1   0.177  -9.191   7.935
 1129   1HE   MET   1          1HE       MET   1   1.108  -6.315   7.570
 1130   2HE   MET   1          2HE       MET   1   2.283  -6.424   8.880
 1131   3HE   MET   1          3HE       MET   1   0.788  -7.356   8.956
 1132    H    PHE   2           H        PHE   2   2.109 -13.041   7.146
 1133    HA   PHE   2           HA       PHE   2   4.513 -13.862   5.976
 1134   1HB   PHE   2          1HB       PHE   2   3.984 -16.037   7.198
 1135   2HB   PHE   2          2HB       PHE   2   3.825 -14.582   8.179
 1136    HD1  PHE   2           HD1      PHE   2   1.744 -13.969   9.143
 1137    HD2  PHE   2           HD2      PHE   2   1.893 -17.050   6.155
 1138    HE1  PHE   2           HE1      PHE   2  -0.626 -14.528   9.604
 1139    HE2  PHE   2           HE2      PHE   2  -0.479 -17.609   6.615
 1140    HZ   PHE   2           HZ       PHE   2  -1.738 -16.345   8.339
 1141    H    ASN   3           H        ASN   3   5.059 -15.252   4.302
 1142    HA   ASN   3           HA       ASN   3   2.834 -16.645   2.861
 1143   1HB   ASN   3          1HB       ASN   3   3.546 -14.405   1.876
 1144   2HB   ASN   3          2HB       ASN   3   5.127 -15.125   1.577
 1145   1HD2  ASN   3          1HD2      ASN   3   1.774 -15.061   0.514
 1146   2HD2  ASN   3          2HD2      ASN   3   1.984 -16.073  -0.833
 1147    H    ASP   4           H        ASP   4   3.570 -18.520   1.638
 1148    HA   ASP   4           HA       ASP   4   5.487 -20.159   2.913
 1149   1HB   ASP   4          1HB       ASP   4   3.574 -20.682   1.261
 1150   2HB   ASP   4          2HB       ASP   4   4.725 -20.289  -0.016
 1151    H    ARG   5           H        ARG   5   5.976 -17.592   0.623
 1152    HA   ARG   5           HA       ARG   5   8.684 -18.578  -0.102
 1153   1HB   ARG   5          1HB       ARG   5   6.617 -16.776  -1.160
 1154   2HB   ARG   5          2HB       ARG   5   8.246 -16.114  -1.301
 1155   1HG   ARG   5          1HG       ARG   5   8.692 -18.677  -2.083
 1156   2HG   ARG   5          2HG       ARG   5   7.035 -18.462  -2.643
 1157   1HD   ARG   5          1HD       ARG   5   8.638 -16.113  -3.256
 1158   2HD   ARG   5          2HD       ARG   5   9.353 -17.578  -3.955
 1159    HE   ARG   5           HE       ARG   5   6.767 -16.416  -4.680
 1160   1HH1  ARG   5          1HH1      ARG   5   8.670 -19.325  -4.483
 1161   2HH1  ARG   5          2HH1      ARG   5   7.757 -20.136  -5.707
 1162   1HH2  ARG   5          1HH2      ARG   5   5.597 -17.492  -6.267
 1163   2HH2  ARG   5          2HH2      ARG   5   6.031 -19.109  -6.711
 1164    H    VAL   6           H        VAL   6   7.112 -16.071   1.820
 1165    HA   VAL   6           HA       VAL   6   9.730 -15.402   3.031
 1166    HB   VAL   6           HB       VAL   6   9.341 -12.972   2.520
 1167   1HG1  VAL   6          1HG1      VAL   6  10.146 -13.084   0.277
 1168   2HG1  VAL   6          2HG1      VAL   6   9.315 -14.610  -0.022
 1169   3HG1  VAL   6          3HG1      VAL   6  10.712 -14.562   1.053
 1170   1HG2  VAL   6          1HG2      VAL   6   7.249 -13.934   0.565
 1171   2HG2  VAL   6          2HG2      VAL   6   7.598 -12.279   1.067
 1172   3HG2  VAL   6          3HG2      VAL   6   6.818 -13.396   2.188
 1173    H    ILE   7           H        ILE   7   9.104 -13.323   4.602
 1174    HA   ILE   7           HA       ILE   7   6.424 -13.671   5.789
 1175    HB   ILE   7           HB       ILE   7   7.741 -15.511   6.739
 1176   1HG1  ILE   7          1HG1      ILE   7   7.604 -13.303   8.805
 1177   2HG1  ILE   7          2HG1      ILE   7   6.172 -14.129   8.193
 1178   1HG2  ILE   7          1HG2      ILE   7   9.659 -13.992   8.262
 1179   2HG2  ILE   7          2HG2      ILE   7   9.845 -13.622   6.547
 1180   3HG2  ILE   7          3HG2      ILE   7   9.951 -15.291   7.106
 1181   1HD1  ILE   7          1HD1      ILE   7   7.656 -14.980  10.340
 1182   2HD1  ILE   7          2HD1      ILE   7   8.346 -15.937   9.029
 1183   3HD1  ILE   7          3HD1      ILE   7   6.617 -16.024   9.369
 1184    H    VAL   8           H        VAL   8   6.128 -12.081   7.630
 1185    HA   VAL   8           HA       VAL   8   7.678  -9.609   7.034
 1186    HB   VAL   8           HB       VAL   8   5.246  -9.512   6.825
 1187   1HG1  VAL   8          1HG1      VAL   8   5.314 -10.650   9.623
 1188   2HG1  VAL   8          2HG1      VAL   8   4.468 -11.276   8.209
 1189   3HG1  VAL   8          3HG1      VAL   8   3.899  -9.807   8.999
 1190   1HG2  VAL   8          1HG2      VAL   8   6.326  -7.497   7.683
 1191   2HG2  VAL   8          2HG2      VAL   8   6.257  -8.129   9.328
 1192   3HG2  VAL   8          3HG2      VAL   8   4.768  -7.707   8.483
 1193    H    LYS   9           H        LYS   9   8.919  -8.618   8.570
 1194    HA   LYS   9           HA       LYS   9   8.813  -9.578  11.386
 1195   1HB   LYS   9          1HB       LYS   9  11.218  -9.469   9.542
 1196   2HB   LYS   9          2HB       LYS   9  11.324  -9.749  11.278
 1197   1HG   LYS   9          1HG       LYS   9   9.425 -11.586  10.552
 1198   2HG   LYS   9          2HG       LYS   9  10.464 -11.578   9.128
 1199   1HD   LYS   9          1HD       LYS   9  12.426 -12.019  10.520
 1200   2HD   LYS   9          2HD       LYS   9  11.440 -11.926  11.979
 1201   1HE   LYS   9          1HE       LYS   9  10.033 -13.830  10.920
 1202   2HE   LYS   9          2HE       LYS   9  11.412 -14.050   9.826
 1203   1HZ   LYS   9          1HZ       LYS   9  11.355 -14.218  12.784
 1204   2HZ   LYS   9          2HZ       LYS   9  12.806 -13.952  11.943
 1205   3HZ   LYS   9          3HZ       LYS   9  11.919 -15.375  11.675
 1206    H    LYS  10           H        LYS  10   9.755  -6.214  12.292
 1207    HA   LYS  10           HA       LYS  10   9.380  -7.456  14.227
 1208   1HB   LYS  10          1HB       LYS  10   7.509  -8.343  12.130
 1209   2HB   LYS  10          2HB       LYS  10   7.693  -9.486  13.461
 1210   1HG   LYS  10          1HG       LYS  10   7.172  -6.530  13.874
 1211   2HG   LYS  10          2HG       LYS  10   5.887  -7.735  13.801
 1212   1HD   LYS  10          1HD       LYS  10   6.261  -8.319  15.943
 1213   2HD   LYS  10          2HD       LYS  10   7.958  -8.642  15.590
 1214   1HE   LYS  10          1HE       LYS  10   8.597  -6.399  16.081
 1215   2HE   LYS  10          2HE       LYS  10   6.921  -5.825  16.006
 1216   1HZ   LYS  10          1HZ       LYS  10   7.552  -6.152  18.301
 1217   2HZ   LYS  10          2HZ       LYS  10   8.055  -7.742  17.981
 1218   3HZ   LYS  10          3HZ       LYS  10   6.411  -7.333  17.870
 1219    H    SER  11           H        SER  11  11.771  -8.071  13.726
 1220    HA   SER  11           HA       SER  11  11.962 -11.066  13.652
 1221   1HB   SER  11          1HB       SER  11  14.398 -10.241  12.782
 1222   2HB   SER  11          2HB       SER  11  13.055 -10.531  11.680
 1223    HG   SER  11           HG       SER  11  13.243  -8.518  11.175
 1224    HA   PRO  12           HA       PRO  12  14.256 -11.040  17.400
 1225   1HB   PRO  12          1HB       PRO  12  16.787 -11.785  16.002
 1226   2HB   PRO  12          2HB       PRO  12  15.958 -12.607  17.337
 1227   1HG   PRO  12          1HG       PRO  12  15.914 -13.553  14.828
 1228   2HG   PRO  12          2HG       PRO  12  14.545 -13.739  15.932
 1229   1HD   PRO  12          1HD       PRO  12  14.861 -11.935  13.598
 1230   2HD   PRO  12          2HD       PRO  12  13.393 -12.676  14.267
 1231    H    LEU  13           H        LEU  13  14.362  -8.819  17.876
 1232    HA   LEU  13           HA       LEU  13  15.343  -6.687  18.126
 1233   1HB   LEU  13          1HB       LEU  13  17.293  -8.743  18.354
 1234   2HB   LEU  13          2HB       LEU  13  18.043  -7.443  17.427
 1235    HG   LEU  13           HG       LEU  13  16.488  -6.831  19.933
 1236   1HD1  LEU  13          1HD1      LEU  13  19.091  -8.203  19.691
 1237   2HD1  LEU  13          2HD1      LEU  13  17.990  -8.113  21.066
 1238   3HD1  LEU  13          3HD1      LEU  13  19.105  -6.786  20.741
 1239   1HD2  LEU  13          1HD2      LEU  13  18.956  -5.445  18.925
 1240   2HD2  LEU  13          2HD2      LEU  13  17.606  -4.782  19.848
 1241   3HD2  LEU  13          3HD2      LEU  13  17.409  -5.146  18.133
 1242    H    GLY  14           H        GLY  14  14.181  -6.994  15.636
 1243   1HA   GLY  14          1HA       GLY  14  16.119  -5.540  13.889
 1244   2HA   GLY  14          2HA       GLY  14  15.134  -6.844  13.225
 1245    H    GLY  15           H        GLY  15  14.936  -4.283  12.149
 1246   1HA   GLY  15          1HA       GLY  15  12.670  -2.876  13.362
 1247   2HA   GLY  15          2HA       GLY  15  13.453  -2.459  11.838
 1248    H    TYR  16           H        TYR  16  11.465  -2.303  10.673
 1249    HA   TYR  16           HA       TYR  16   9.817  -4.784  10.526
 1250   1HB   TYR  16          1HB       TYR  16   9.262  -2.041  10.698
 1251   2HB   TYR  16          2HB       TYR  16   8.879  -2.464   9.031
 1252    HD1  TYR  16           HD1      TYR  16   8.117  -3.153  12.581
 1253    HD2  TYR  16           HD2      TYR  16   7.079  -3.998   8.500
 1254    HE1  TYR  16           HE1      TYR  16   6.015  -4.229  13.339
 1255    HE2  TYR  16           HE2      TYR  16   4.977  -5.074   9.257
 1256    HH   TYR  16           HH       TYR  16   3.519  -4.638  11.844
 1257    H    GLY  17           H        GLY  17  11.711  -5.712   9.207
 1258   1HA   GLY  17          1HA       GLY  17  11.625  -4.769   6.374
 1259   2HA   GLY  17          2HA       GLY  17  12.935  -5.726   7.069
 1260    H    VAL  18           H        VAL  18  12.402  -7.170   5.136
 1261    HA   VAL  18           HA       VAL  18  10.125  -8.989   5.857
 1262    HB   VAL  18           HB       VAL  18   9.545  -7.868   3.828
 1263   1HG1  VAL  18          1HG1      VAL  18  11.385  -6.743   3.016
 1264   2HG1  VAL  18          2HG1      VAL  18  11.353  -8.092   1.879
 1265   3HG1  VAL  18          3HG1      VAL  18  12.460  -8.119   3.251
 1266   1HG2  VAL  18          1HG2      VAL  18  10.837 -10.187   2.497
 1267   2HG2  VAL  18          2HG2      VAL  18   9.150  -9.671   2.475
 1268   3HG2  VAL  18          3HG2      VAL  18   9.783 -10.559   3.861
 1269    H    PHE  19           H        PHE  19  10.726 -11.085   6.244
 1270    HA   PHE  19           HA       PHE  19  13.580 -11.795   5.954
 1271   1HB   PHE  19          1HB       PHE  19  11.227 -12.560   7.537
 1272   2HB   PHE  19          2HB       PHE  19  12.180 -13.951   7.021
 1273    HD1  PHE  19           HD1      PHE  19  13.104 -10.442   7.980
 1274    HD2  PHE  19           HD2      PHE  19  13.573 -14.639   8.762
 1275    HE1  PHE  19           HE1      PHE  19  14.796  -9.929   9.720
 1276    HE2  PHE  19           HE2      PHE  19  15.264 -14.127  10.502
 1277    HZ   PHE  19           HZ       PHE  19  15.876 -11.772  10.981
 1278    H    ALA  20           H        ALA  20  14.212 -13.831   4.923
 1279    HA   ALA  20           HA       ALA  20  12.394 -14.565   2.657
 1280   1HB   ALA  20          1HB       ALA  20  14.241 -14.212   1.390
 1281   2HB   ALA  20          2HB       ALA  20  15.155 -15.371   2.354
 1282   3HB   ALA  20          3HB       ALA  20  15.087 -13.678   2.842
 1283    H    ARG  21           H        ARG  21  11.340 -16.432   3.339
 1284    HA   ARG  21           HA       ARG  21  12.442 -18.427   5.086
 1285   1HB   ARG  21          1HB       ARG  21  10.012 -17.800   3.929
 1286   2HB   ARG  21          2HB       ARG  21  10.457 -19.272   3.065
 1287   1HG   ARG  21          1HG       ARG  21   9.794 -20.469   4.853
 1288   2HG   ARG  21          2HG       ARG  21  11.087 -19.722   5.790
 1289   1HD   ARG  21          1HD       ARG  21   9.665 -18.078   6.680
 1290   2HD   ARG  21          2HD       ARG  21   8.496 -18.239   5.356
 1291    HE   ARG  21           HE       ARG  21   8.528 -20.757   6.508
 1292   1HH1  ARG  21          1HH1      ARG  21   8.048 -17.524   7.707
 1293   2HH1  ARG  21          2HH1      ARG  21   7.003 -18.036   8.986
 1294   1HH2  ARG  21          1HH2      ARG  21   7.168 -21.396   8.177
 1295   2HH2  ARG  21          2HH2      ARG  21   6.507 -20.209   9.253
 1296    H    LYS  22           H        LYS  22  12.621 -17.875   1.629
 1297    HA   LYS  22           HA       LYS  22  13.829 -20.514   1.068
 1298   1HB   LYS  22          1HB       LYS  22  13.616 -18.073  -0.734
 1299   2HB   LYS  22          2HB       LYS  22  13.684 -19.763  -1.218
 1300   1HG   LYS  22          1HG       LYS  22  11.463 -19.611   0.479
 1301   2HG   LYS  22          2HG       LYS  22  11.367 -18.167  -0.529
 1302   1HD   LYS  22          1HD       LYS  22  11.066 -19.373  -2.462
 1303   2HD   LYS  22          2HD       LYS  22  12.069 -20.713  -1.904
 1304   1HE   LYS  22          1HE       LYS  22   9.789 -20.562  -0.180
 1305   2HE   LYS  22          2HE       LYS  22   9.215 -20.532  -1.858
 1306   1HZ   LYS  22          1HZ       LYS  22   9.657 -22.810  -0.942
 1307   2HZ   LYS  22          2HZ       LYS  22  11.304 -22.401  -0.870
 1308   3HZ   LYS  22          3HZ       LYS  22  10.504 -22.445  -2.368
 1309    H    SER  23           H        SER  23  17.213 -19.150   0.346
 1310    HA   SER  23           HA       SER  23  15.059 -20.972  -0.600
 1311   1HB   SER  23          1HB       SER  23  17.980 -20.985  -1.355
 1312   2HB   SER  23          2HB       SER  23  17.445 -21.627   0.197
 1313    HG   SER  23           HG       SER  23  16.697 -23.314  -0.780
 1314    H    PHE  24           H        PHE  24  16.597 -18.043  -1.475
 1315    HA   PHE  24           HA       PHE  24  15.348 -18.195  -4.163
 1316   1HB   PHE  24          1HB       PHE  24  16.375 -16.031  -2.317
 1317   2HB   PHE  24          2HB       PHE  24  15.948 -15.671  -3.989
 1318    HD1  PHE  24           HD1      PHE  24  13.623 -17.171  -4.603
 1319    HD2  PHE  24           HD2      PHE  24  14.688 -15.364  -0.854
 1320    HE1  PHE  24           HE1      PHE  24  11.228 -17.071  -3.970
 1321    HE2  PHE  24           HE2      PHE  24  12.292 -15.265  -0.221
 1322    HZ   PHE  24           HZ       PHE  24  10.562 -16.119  -1.779
 1323    H    GLU  25           H        GLU  25  16.544 -17.409  -6.034
 1324    HA   GLU  25           HA       GLU  25  19.413 -18.174  -5.942
 1325   1HB   GLU  25          1HB       GLU  25  17.402 -18.797  -7.627
 1326   2HB   GLU  25          2HB       GLU  25  17.974 -17.334  -8.427
 1327   1HG   GLU  25          1HG       GLU  25  20.289 -18.800  -7.736
 1328   2HG   GLU  25          2HG       GLU  25  19.155 -19.969  -8.411
 1329    H    LYS  26           H        LYS  26  20.150 -16.570  -8.226
 1330    HA   LYS  26           HA       LYS  26  20.508 -13.956  -6.862
 1331   1HB   LYS  26          1HB       LYS  26  22.343 -15.460  -7.881
 1332   2HB   LYS  26          2HB       LYS  26  21.722 -14.953  -9.450
 1333   1HG   LYS  26          1HG       LYS  26  22.139 -12.610  -8.899
 1334   2HG   LYS  26          2HG       LYS  26  22.667 -13.064  -7.279
 1335   1HD   LYS  26          1HD       LYS  26  24.524 -14.367  -8.240
 1336   2HD   LYS  26          2HD       LYS  26  23.993 -13.933  -9.865
 1337   1HE   LYS  26          1HE       LYS  26  24.194 -11.460  -8.955
 1338   2HE   LYS  26          2HE       LYS  26  25.284 -12.205  -7.771
 1339   1HZ   LYS  26          1HZ       LYS  26  25.442 -12.651 -10.708
 1340   2HZ   LYS  26          2HZ       LYS  26  26.546 -13.189  -9.535
 1341   3HZ   LYS  26          3HZ       LYS  26  26.406 -11.531  -9.871
 1342    H    GLY  27           H        GLY  27  17.919 -14.712  -8.184
 1343   1HA   GLY  27          1HA       GLY  27  17.215 -12.281  -9.381
 1344   2HA   GLY  27          2HA       GLY  27  17.738 -13.318 -10.707
 1345    H    GLU  28           H        GLU  28  15.359 -12.962  -8.122
 1346    HA   GLU  28           HA       GLU  28  13.469 -14.620  -9.702
 1347   1HB   GLU  28          1HB       GLU  28  14.699 -15.255  -7.043
 1348   2HB   GLU  28          2HB       GLU  28  13.011 -15.700  -7.292
 1349   1HG   GLU  28          1HG       GLU  28  13.901 -16.695  -9.558
 1350   2HG   GLU  28          2HG       GLU  28  15.460 -16.678  -8.733
 1351    H    LEU  29           H        LEU  29  11.557 -13.501  -9.730
 1352    HA   LEU  29           HA       LEU  29  11.030 -11.118  -8.317
 1353   1HB   LEU  29          1HB       LEU  29   9.877 -12.014 -10.359
 1354   2HB   LEU  29          2HB       LEU  29   9.080 -13.216  -9.352
 1355    HG   LEU  29           HG       LEU  29   7.724 -11.113  -9.914
 1356   1HD1  LEU  29          1HD1      LEU  29   7.603 -12.793  -7.825
 1357   2HD1  LEU  29          2HD1      LEU  29   6.512 -11.417  -7.994
 1358   3HD1  LEU  29          3HD1      LEU  29   7.930 -11.296  -6.953
 1359   1HD2  LEU  29          1HD2      LEU  29   8.998  -9.709  -7.641
 1360   2HD2  LEU  29          2HD2      LEU  29   8.321  -9.057  -9.133
 1361   3HD2  LEU  29          3HD2      LEU  29   9.944  -9.745  -9.128
 1362    H    VAL  30           H        VAL  30  10.752 -10.841  -6.151
 1363    HA   VAL  30           HA       VAL  30  10.158 -13.102  -4.385
 1364    HB   VAL  30           HB       VAL  30  10.515 -10.109  -3.980
 1365   1HG1  VAL  30          1HG1      VAL  30   9.261 -10.968  -2.104
 1366   2HG1  VAL  30          2HG1      VAL  30  10.937 -10.799  -1.581
 1367   3HG1  VAL  30          3HG1      VAL  30  10.299 -12.390  -1.996
 1368   1HG2  VAL  30          1HG2      VAL  30  12.649 -11.445  -2.842
 1369   2HG2  VAL  30          2HG2      VAL  30  12.664 -10.674  -4.428
 1370   3HG2  VAL  30          3HG2      VAL  30  12.326 -12.399  -4.290
 1371    H    GLU  31           H        GLU  31   8.540  -9.973  -5.089
 1372    HA   GLU  31           HA       GLU  31   5.900 -11.179  -5.067
 1373   1HB   GLU  31          1HB       GLU  31   5.189 -10.099  -2.924
 1374   2HB   GLU  31          2HB       GLU  31   6.454 -11.301  -2.675
 1375   1HG   GLU  31          1HG       GLU  31   8.062  -9.229  -2.987
 1376   2HG   GLU  31          2HG       GLU  31   6.629  -8.309  -2.532
 1377    H    GLU  32           H        GLU  32   5.529  -9.920  -6.940
 1378    HA   GLU  32           HA       GLU  32   6.069  -7.054  -7.018
 1379   1HB   GLU  32          1HB       GLU  32   4.937  -7.278  -9.216
 1380   2HB   GLU  32          2HB       GLU  32   6.114  -8.570  -8.985
 1381   1HG   GLU  32          1HG       GLU  32   4.478 -10.082  -9.296
 1382   2HG   GLU  32          2HG       GLU  32   3.663  -9.468  -7.858
 1383    H    CYS  33           H        CYS  33   4.442  -5.381  -7.040
 1384    HA   CYS  33           HA       CYS  33   1.674  -6.135  -6.277
 1385   1HB   CYS  33          1HB       CYS  33   3.600  -5.651  -4.367
 1386   2HB   CYS  33          2HB       CYS  33   2.889  -4.050  -4.569
 1387    HG   CYS  33           HG       CYS  33   0.572  -5.016  -3.906
 1388    H    LEU  34           H        LEU  34   1.124  -3.400  -5.362
 1389    HA   LEU  34           HA       LEU  34   1.251  -2.009  -8.014
 1390   1HB   LEU  34          1HB       LEU  34  -0.787  -2.476  -5.921
 1391   2HB   LEU  34          2HB       LEU  34  -0.753  -0.825  -6.539
 1392    HG   LEU  34           HG       LEU  34  -0.820  -1.782  -8.871
 1393   1HD1  LEU  34          1HD1      LEU  34  -0.146  -3.984  -8.830
 1394   2HD1  LEU  34          2HD1      LEU  34  -1.884  -4.240  -8.682
 1395   3HD1  LEU  34          3HD1      LEU  34  -0.862  -4.282  -7.246
 1396   1HD2  LEU  34          1HD2      LEU  34  -2.955  -1.839  -6.848
 1397   2HD2  LEU  34          2HD2      LEU  34  -3.281  -2.855  -8.252
 1398   3HD2  LEU  34          3HD2      LEU  34  -2.958  -1.134  -8.465
 1399    H    CYS  35           H        CYS  35   1.088   0.471  -7.721
 1400    HA   CYS  35           HA       CYS  35   2.368   1.481  -5.241
 1401   1HB   CYS  35          1HB       CYS  35   3.620   1.126  -7.916
 1402   2HB   CYS  35          2HB       CYS  35   3.925   2.679  -7.137
 1403    HG   CYS  35           HG       CYS  35   5.380   1.562  -5.464
 1404    H    ILE  36           H        ILE  36   2.059   3.764  -4.988
 1405    HA   ILE  36           HA       ILE  36  -0.106   4.886  -6.681
 1406    HB   ILE  36           HB       ILE  36   1.287   5.925  -4.184
 1407   1HG1  ILE  36          1HG1      ILE  36  -1.304   4.374  -4.492
 1408   2HG1  ILE  36          2HG1      ILE  36   0.195   3.730  -3.823
 1409   1HG2  ILE  36          1HG2      ILE  36  -0.742   7.320  -3.965
 1410   2HG2  ILE  36          2HG2      ILE  36  -1.353   6.663  -5.483
 1411   3HG2  ILE  36          3HG2      ILE  36   0.102   7.659  -5.476
 1412   1HD1  ILE  36          1HD1      ILE  36  -1.659   4.675  -2.206
 1413   2HD1  ILE  36          2HD1      ILE  36  -0.975   6.238  -2.654
 1414   3HD1  ILE  36          3HD1      ILE  36   0.041   5.018  -1.885
 1415    H    VAL  37           H        VAL  37   0.210   6.723  -7.991
 1416    HA   VAL  37           HA       VAL  37   3.060   7.618  -8.275
 1417    HB   VAL  37           HB       VAL  37   0.810   7.492 -10.316
 1418   1HG1  VAL  37          1HG1      VAL  37   2.174   8.712 -11.625
 1419   2HG1  VAL  37          2HG1      VAL  37   3.438   7.496 -11.443
 1420   3HG1  VAL  37          3HG1      VAL  37   3.333   8.836 -10.301
 1421   1HG2  VAL  37          1HG2      VAL  37   2.381   5.624 -11.222
 1422   2HG2  VAL  37          2HG2      VAL  37   1.333   5.240  -9.856
 1423   3HG2  VAL  37          3HG2      VAL  37   3.039   5.598  -9.586
 1424    H    ARG  38           H        ARG  38   3.415   9.747  -7.865
 1425    HA   ARG  38           HA       ARG  38   1.282  11.749  -8.380
 1426   1HB   ARG  38          1HB       ARG  38   2.433  10.910  -5.728
 1427   2HB   ARG  38          2HB       ARG  38   1.906  12.578  -5.945
 1428   1HG   ARG  38          1HG       ARG  38   0.209  10.105  -6.395
 1429   2HG   ARG  38          2HG       ARG  38   0.086  11.198  -5.018
 1430   1HD   ARG  38          1HD       ARG  38  -0.275  13.064  -6.801
 1431   2HD   ARG  38          2HD       ARG  38  -0.643  11.722  -7.900
 1432    HE   ARG  38           HE       ARG  38  -2.060  11.207  -5.519
 1433   1HH1  ARG  38          1HH1      ARG  38  -1.952  13.663  -7.984
 1434   2HH1  ARG  38          2HH1      ARG  38  -3.619  14.082  -7.795
 1435   1HH2  ARG  38          1HH2      ARG  38  -4.221  11.769  -5.291
 1436   2HH2  ARG  38          2HH2      ARG  38  -4.896  13.019  -6.282
 1437    H    HIS  39           H        HIS  39   2.300  14.020  -7.703
 1438    HA   HIS  39           HA       HIS  39   4.972  14.142  -8.981
 1439   1HB   HIS  39          1HB       HIS  39   2.624  15.877  -8.513
 1440   2HB   HIS  39          2HB       HIS  39   4.171  16.712  -8.384
 1441    HD1  HIS  39           HD1      HIS  39   3.070  17.817 -10.709
 1442    HD2  HIS  39           HD2      HIS  39   4.576  13.936 -10.929
 1443    HE1  HIS  39           HE1      HIS  39   3.456  17.337 -13.165
 1444    H    ASN  40           H        ASN  40   6.231  16.208  -7.848
 1445    HA   ASN  40           HA       ASN  40   6.984  15.201  -5.193
 1446   1HB   ASN  40          1HB       ASN  40   8.289  16.302  -7.307
 1447   2HB   ASN  40          2HB       ASN  40   8.068  17.742  -6.312
 1448   1HD2  ASN  40          1HD2      ASN  40   9.274  14.353  -6.092
 1449   2HD2  ASN  40          2HD2      ASN  40  10.427  14.684  -4.891
 1450    H    ASP  41           H        ASP  41   7.726  18.086  -4.426
 1451    HA   ASP  41           HA       ASP  41   6.821  19.798  -3.103
 1452   1HB   ASP  41          1HB       ASP  41   4.369  19.207  -4.800
 1453   2HB   ASP  41          2HB       ASP  41   4.727  20.717  -3.969
 1454    H    ASP  42           H        ASP  42   3.687  19.625  -2.644
 1455    HA   ASP  42           HA       ASP  42   3.594  18.798  -0.026
 1456   1HB   ASP  42          1HB       ASP  42   1.545  18.363  -2.229
 1457   2HB   ASP  42          2HB       ASP  42   1.176  18.357  -0.504
 1458    H    TRP  43           H        TRP  43   2.992  16.623  -2.818
 1459    HA   TRP  43           HA       TRP  43   2.489  14.227  -1.439
 1460   1HB   TRP  43          1HB       TRP  43   2.257  14.387  -3.823
 1461   2HB   TRP  43          2HB       TRP  43   3.924  14.917  -4.021
 1462    HD1  TRP  43           HD1      TRP  43   5.774  13.110  -4.199
 1463    HE1  TRP  43           HE1      TRP  43   5.757  10.535  -4.298
 1464    HE3  TRP  43           HE3      TRP  43   0.920  12.208  -2.893
 1465    HZ2  TRP  43           HZ2      TRP  43   3.931   8.378  -3.878
 1466    HZ3  TRP  43           HZ3      TRP  43   0.072   9.884  -2.751
 1467    HH2  TRP  43           HH2      TRP  43   1.568   7.970  -3.241
 1468    H    GLY  44           H        GLY  44   5.665  15.577  -2.407
 1469   1HA   GLY  44          1HA       GLY  44   7.307  13.497  -1.458
 1470   2HA   GLY  44          2HA       GLY  44   7.806  15.186  -1.530
 1471    H    THR  45           H        THR  45   6.062  16.333   0.328
 1472    HA   THR  45           HA       THR  45   7.341  15.567   2.821
 1473    HB   THR  45           HB       THR  45   4.973  17.389   2.257
 1474    HG1  THR  45           HG1      THR  45   6.383  18.604   1.330
 1475   1HG2  THR  45          1HG2      THR  45   5.250  18.240   4.381
 1476   2HG2  THR  45          2HG2      THR  45   6.978  17.889   4.408
 1477   3HG2  THR  45          3HG2      THR  45   5.811  16.595   4.680
 1478    H    ALA  46           H        ALA  46   3.856  15.661   1.930
 1479    HA   ALA  46           HA       ALA  46   2.821  14.334   4.165
 1480   1HB   ALA  46          1HB       ALA  46   1.882  13.851   1.326
 1481   2HB   ALA  46          2HB       ALA  46   1.694  15.421   2.106
 1482   3HB   ALA  46          3HB       ALA  46   0.899  13.999   2.785
 1483    H    LEU  47           H        LEU  47   3.785  12.766   1.072
 1484    HA   LEU  47           HA       LEU  47   3.671  10.124   2.413
 1485   1HB   LEU  47          1HB       LEU  47   4.111  11.079  -0.437
 1486   2HB   LEU  47          2HB       LEU  47   4.172   9.380   0.020
 1487    HG   LEU  47           HG       LEU  47   1.954   9.782  -0.778
 1488   1HD1  LEU  47          1HD1      LEU  47   2.177   8.494   1.389
 1489   2HD1  LEU  47          2HD1      LEU  47   0.594   9.227   1.126
 1490   3HD1  LEU  47          3HD1      LEU  47   1.741   9.979   2.234
 1491   1HD2  LEU  47          1HD2      LEU  47   2.353  12.373  -0.169
 1492   2HD2  LEU  47          2HD2      LEU  47   1.331  11.915   1.194
 1493   3HD2  LEU  47          3HD2      LEU  47   0.753  11.699  -0.458
 1494    H    GLU  48           H        GLU  48   5.856  12.249   2.895
 1495    HA   GLU  48           HA       GLU  48   8.320  11.547   1.749
 1496   1HB   GLU  48          1HB       GLU  48   9.233  12.353   3.958
 1497   2HB   GLU  48          2HB       GLU  48   8.009  13.421   3.276
 1498   1HG   GLU  48          1HG       GLU  48   7.161  13.266   5.404
 1499   2HG   GLU  48          2HG       GLU  48   6.402  11.823   4.734
 1500    H    ASP  49           H        ASP  49   9.990  10.053   2.452
 1501    HA   ASP  49           HA       ASP  49  10.782   7.944   3.138
 1502   1HB   ASP  49          1HB       ASP  49  10.079   8.995   5.343
 1503   2HB   ASP  49          2HB       ASP  49   8.544   8.145   5.180
 1504    H    TYR  50           H        TYR  50  10.310   5.747   2.689
 1505    HA   TYR  50           HA       TYR  50   9.118   3.934   1.744
 1506   1HB   TYR  50          1HB       TYR  50   6.566   5.388   2.461
 1507   2HB   TYR  50          2HB       TYR  50   6.883   3.657   2.481
 1508    HD1  TYR  50           HD1      TYR  50   9.265   3.298   4.046
 1509    HD2  TYR  50           HD2      TYR  50   6.086   6.138   4.601
 1510    HE1  TYR  50           HE1      TYR  50   9.811   3.439   6.456
 1511    HE2  TYR  50           HE2      TYR  50   6.636   6.277   7.017
 1512    HH   TYR  50           HH       TYR  50   8.675   4.049   8.568
 1513    H    LEU  51           H        LEU  51   9.397   6.824   0.403
 1514    HA   LEU  51           HA       LEU  51   7.383   6.360  -1.763
 1515   1HB   LEU  51          1HB       LEU  51   7.691   8.516  -0.207
 1516   2HB   LEU  51          2HB       LEU  51   8.928   8.907  -1.402
 1517    HG   LEU  51           HG       LEU  51   7.215   8.569  -3.202
 1518   1HD1  LEU  51          1HD1      LEU  51   4.840   8.896  -1.728
 1519   2HD1  LEU  51          2HD1      LEU  51   5.716   7.595  -0.923
 1520   3HD1  LEU  51          3HD1      LEU  51   5.333   7.472  -2.638
 1521   1HD2  LEU  51          1HD2      LEU  51   7.150  10.815  -2.969
 1522   2HD2  LEU  51          2HD2      LEU  51   7.316  10.699  -1.217
 1523   3HD2  LEU  51          3HD2      LEU  51   5.721  10.581  -1.961
 1524    H    PHE  52           H        PHE  52   8.412   5.199  -3.369
 1525    HA   PHE  52           HA       PHE  52  11.252   5.734  -4.027
 1526   1HB   PHE  52          1HB       PHE  52   9.109   3.773  -4.893
 1527   2HB   PHE  52          2HB       PHE  52  10.668   3.852  -5.712
 1528    HD1  PHE  52           HD1      PHE  52  12.748   3.266  -4.530
 1529    HD2  PHE  52           HD2      PHE  52   8.916   2.948  -2.615
 1530    HE1  PHE  52           HE1      PHE  52  13.761   1.890  -2.733
 1531    HE2  PHE  52           HE2      PHE  52   9.929   1.571  -0.818
 1532    HZ   PHE  52           HZ       PHE  52  12.351   1.042  -0.876
 1533    H    SER  53           H        SER  53  11.682   7.372  -5.469
 1534    HA   SER  53           HA       SER  53   9.532   8.133  -7.404
 1535   1HB   SER  53          1HB       SER  53  10.301   9.813  -5.753
 1536   2HB   SER  53          2HB       SER  53  11.955   9.627  -6.335
 1537    HG   SER  53           HG       SER  53  11.420  11.125  -7.692
 1538    H    ARG  54           H        ARG  54   9.927   8.001  -9.578
 1539    HA   ARG  54           HA       ARG  54  12.602   6.998 -10.449
 1540   1HB   ARG  54          1HB       ARG  54  10.242   5.912 -10.883
 1541   2HB   ARG  54          2HB       ARG  54  10.094   7.160 -12.120
 1542   1HG   ARG  54          1HG       ARG  54  11.772   6.257 -13.426
 1543   2HG   ARG  54          2HG       ARG  54  12.623   5.569 -12.043
 1544   1HD   ARG  54          1HD       ARG  54  11.697   3.584 -12.687
 1545   2HD   ARG  54          2HD       ARG  54  10.178   4.226 -12.033
 1546    HE   ARG  54           HE       ARG  54   9.454   4.549 -14.258
 1547   1HH1  ARG  54          1HH1      ARG  54  12.927   4.361 -14.120
 1548   2HH1  ARG  54          2HH1      ARG  54  13.110   4.448 -15.838
 1549   1HH2  ARG  54          1HH2      ARG  54   9.717   4.660 -16.485
 1550   2HH2  ARG  54          2HH2      ARG  54  11.308   4.616 -17.168
 1551    H    LYS  55           H        LYS  55  12.861   7.799 -12.964
 1552    HA   LYS  55           HA       LYS  55  13.274  10.671 -12.782
 1553   1HB   LYS  55          1HB       LYS  55  14.464   8.607 -14.064
 1554   2HB   LYS  55          2HB       LYS  55  13.446   9.204 -15.374
 1555   1HG   LYS  55          1HG       LYS  55  14.490  11.532 -14.306
 1556   2HG   LYS  55          2HG       LYS  55  15.840  10.405 -14.171
 1557   1HD   LYS  55          1HD       LYS  55  14.671   9.959 -16.714
 1558   2HD   LYS  55          2HD       LYS  55  14.810  11.707 -16.528
 1559   1HE   LYS  55          1HE       LYS  55  17.175  11.569 -16.134
 1560   2HE   LYS  55          2HE       LYS  55  17.102   9.808 -15.932
 1561   1HZ   LYS  55          1HZ       LYS  55  16.281  11.246 -18.403
 1562   2HZ   LYS  55          2HZ       LYS  55  16.405   9.565 -18.196
 1563   3HZ   LYS  55          3HZ       LYS  55  17.805  10.527 -18.194
 1564    H    ASN  56           H        ASN  56  10.866  11.023 -12.411
 1565    HA   ASN  56           HA       ASN  56   8.959  10.667 -14.540
 1566   1HB   ASN  56          1HB       ASN  56  10.544  12.266 -15.602
 1567   2HB   ASN  56          2HB       ASN  56   8.969  13.014 -15.342
 1568   1HD2  ASN  56          1HD2      ASN  56   9.111  15.059 -14.419
 1569   2HD2  ASN  56          2HD2      ASN  56  10.357  15.586 -13.393
 1570    H    MET  57           H        MET  57   9.184  10.522 -11.583
 1571    HA   MET  57           HA       MET  57   7.856  12.742 -10.325
 1572   1HB   MET  57          1HB       MET  57   5.573  11.669 -10.236
 1573   2HB   MET  57          2HB       MET  57   6.050  12.147 -11.863
 1574   1HG   MET  57          1HG       MET  57   6.988   9.467 -11.258
 1575   2HG   MET  57          2HG       MET  57   5.244   9.585 -11.026
 1576   1HE   MET  57          1HE       MET  57   3.805  10.693 -14.321
 1577   2HE   MET  57          2HE       MET  57   4.354  11.842 -13.101
 1578   3HE   MET  57          3HE       MET  57   3.593  10.330 -12.608
 1579    H    SER  58           H        SER  58   6.466  11.651  -8.322
 1580    HA   SER  58           HA       SER  58   8.327   9.627  -7.127
 1581   1HB   SER  58          1HB       SER  58   6.527  11.723  -5.853
 1582   2HB   SER  58          2HB       SER  58   7.657  10.681  -4.989
 1583    HG   SER  58           HG       SER  58   9.301  11.808  -5.721
 1584    H    ALA  59           H        ALA  59   7.385   7.823  -6.055
 1585    HA   ALA  59           HA       ALA  59   4.409   7.601  -6.126
 1586   1HB   ALA  59          1HB       ALA  59   5.000   5.175  -7.010
 1587   2HB   ALA  59          2HB       ALA  59   6.504   5.945  -7.516
 1588   3HB   ALA  59          3HB       ALA  59   4.962   6.529  -8.139
 1589    H    MET  60           H        MET  60   3.576   6.081  -4.581
 1590    HA   MET  60           HA       MET  60   5.400   5.550  -2.311
 1591   1HB   MET  60          1HB       MET  60   3.201   6.563  -1.937
 1592   2HB   MET  60          2HB       MET  60   2.413   5.225  -2.773
 1593   1HG   MET  60          1HG       MET  60   2.223   4.860  -0.377
 1594   2HG   MET  60          2HG       MET  60   3.339   3.668  -1.042
 1595   1HE   MET  60          1HE       MET  60   3.454   6.116   2.286
 1596   2HE   MET  60          2HE       MET  60   2.439   6.406   0.873
 1597   3HE   MET  60          3HE       MET  60   3.840   7.433   1.178
 1598    H    ALA  61           H        ALA  61   5.586   3.401  -1.381
 1599    HA   ALA  61           HA       ALA  61   5.613   1.275  -3.414
 1600   1HB   ALA  61          1HB       ALA  61   7.459   0.928  -2.130
 1601   2HB   ALA  61          2HB       ALA  61   6.365   0.237  -0.932
 1602   3HB   ALA  61          3HB       ALA  61   6.825   1.937  -0.830
 1603    H    LEU  62           H        LEU  62   3.387   0.767  -3.746
 1604    HA   LEU  62           HA       LEU  62   1.405  -0.433  -3.327
 1605   1HB   LEU  62          1HB       LEU  62   1.138   0.162  -0.531
 1606   2HB   LEU  62          2HB       LEU  62   1.828   1.570  -1.332
 1607    HG   LEU  62           HG       LEU  62  -0.061   0.986  -3.134
 1608   1HD1  LEU  62          1HD1      LEU  62  -0.652  -0.661  -0.828
 1609   2HD1  LEU  62          2HD1      LEU  62  -1.450  -0.627  -2.399
 1610   3HD1  LEU  62          3HD1      LEU  62  -1.963   0.480  -1.126
 1611   1HD2  LEU  62          1HD2      LEU  62  -1.370   2.737  -2.168
 1612   2HD2  LEU  62          2HD2      LEU  62   0.297   3.085  -1.707
 1613   3HD2  LEU  62          3HD2      LEU  62  -0.807   2.355  -0.541
 1614    H    GLY  63           H        GLY  63   3.195  -2.289  -3.431
 1615   1HA   GLY  63          1HA       GLY  63   2.447  -4.294  -1.554
 1616   2HA   GLY  63          2HA       GLY  63   3.827  -4.406  -2.645
 1617    H    PHE  64           H        PHE  64   4.948  -5.449  -0.816
 1618    HA   PHE  64           HA       PHE  64   5.482  -3.965   1.629
 1619   1HB   PHE  64          1HB       PHE  64   6.398  -6.482   0.263
 1620   2HB   PHE  64          2HB       PHE  64   7.329  -5.879   1.633
 1621    HD1  PHE  64           HD1      PHE  64   6.805  -7.103   3.548
 1622    HD2  PHE  64           HD2      PHE  64   3.650  -5.948   0.871
 1623    HE1  PHE  64           HE1      PHE  64   5.130  -8.060   5.107
 1624    HE2  PHE  64           HE2      PHE  64   1.977  -6.904   2.430
 1625    HZ   PHE  64           HZ       PHE  64   2.716  -7.961   4.547
 1626    H    GLY  65           H        GLY  65   6.109  -2.075  -0.142
 1627   1HA   GLY  65          1HA       GLY  65   8.952  -2.278  -0.911
 1628   2HA   GLY  65          2HA       GLY  65   7.864  -0.954  -1.322
 1629    H    ALA  66           H        ALA  66   6.894  -0.522   1.372
 1630    HA   ALA  66           HA       ALA  66   8.944   1.267   2.332
 1631   1HB   ALA  66          1HB       ALA  66   7.273   1.822   3.953
 1632   2HB   ALA  66          2HB       ALA  66   6.538   0.222   3.850
 1633   3HB   ALA  66          3HB       ALA  66   6.370   1.358   2.511
 1634    H    ILE  67           H        ILE  67   7.746  -1.900   3.476
 1635    HA   ILE  67           HA       ILE  67   9.128  -2.118   5.902
 1636    HB   ILE  67           HB       ILE  67   9.110  -4.611   5.318
 1637   1HG1  ILE  67          1HG1      ILE  67   7.379  -4.531   3.102
 1638   2HG1  ILE  67          2HG1      ILE  67   8.727  -3.481   2.675
 1639   1HG2  ILE  67          1HG2      ILE  67   6.695  -4.750   5.438
 1640   2HG2  ILE  67          2HG2      ILE  67   6.530  -3.108   4.816
 1641   3HG2  ILE  67          3HG2      ILE  67   7.227  -3.380   6.413
 1642   1HD1  ILE  67          1HD1      ILE  67   8.659  -6.386   2.951
 1643   2HD1  ILE  67          2HD1      ILE  67   9.957  -5.654   3.895
 1644   3HD1  ILE  67          3HD1      ILE  67   9.858  -5.365   2.158
 1645    H    PHE  68           H        PHE  68  10.422  -2.563   2.618
 1646    HA   PHE  68           HA       PHE  68  12.843  -3.851   3.139
 1647   1HB   PHE  68          1HB       PHE  68  11.990  -1.648   1.258
 1648   2HB   PHE  68          2HB       PHE  68  13.633  -2.283   1.209
 1649    HD1  PHE  68           HD1      PHE  68  10.848  -2.510  -0.595
 1650    HD2  PHE  68           HD2      PHE  68  13.314  -5.122   1.758
 1651    HE1  PHE  68           HE1      PHE  68  10.053  -4.453  -1.918
 1652    HE2  PHE  68           HE2      PHE  68  12.520  -7.064   0.436
 1653    HZ   PHE  68           HZ       PHE  68  10.890  -6.729  -1.402
 1654    H    ASN  69           H        ASN  69  14.423  -3.365   4.589
 1655    HA   ASN  69           HA       ASN  69  14.709  -0.578   5.577
 1656   1HB   ASN  69          1HB       ASN  69  15.739  -3.312   6.398
 1657   2HB   ASN  69          2HB       ASN  69  16.254  -1.830   7.204
 1658   1HD2  ASN  69          1HD2      ASN  69  14.221  -4.283   7.764
 1659   2HD2  ASN  69          2HD2      ASN  69  12.925  -3.472   8.502
 1660    H    HIS  70           H        HIS  70  17.157  -0.021   6.047
 1661    HA   HIS  70           HA       HIS  70  18.602  -0.286   3.464
 1662   1HB   HIS  70          1HB       HIS  70  18.123   1.911   4.640
 1663   2HB   HIS  70          2HB       HIS  70  19.205   1.386   5.929
 1664    HD1  HIS  70           HD1      HIS  70  20.727   3.478   5.197
 1665    HD2  HIS  70           HD2      HIS  70  20.435   0.403   2.398
 1666    HE1  HIS  70           HE1      HIS  70  22.605   3.841   3.537
 1667    H    SER  71           H        SER  71  19.838  -2.152   3.436
 1668    HA   SER  71           HA       SER  71  21.460  -2.778   5.881
 1669   1HB   SER  71          1HB       SER  71  19.815  -4.482   5.313
 1670   2HB   SER  71          2HB       SER  71  20.338  -4.485   3.629
 1671    HG   SER  71           HG       SER  71  21.517  -5.612   5.872
 1672    H    LYS  72           H        LYS  72  23.659  -2.636   5.638
 1673    HA   LYS  72           HA       LYS  72  24.960  -1.578   3.377
 1674   1HB   LYS  72          1HB       LYS  72  25.663  -3.072   5.853
 1675   2HB   LYS  72          2HB       LYS  72  26.902  -3.049   4.598
 1676   1HG   LYS  72          1HG       LYS  72  25.609  -0.441   5.062
 1677   2HG   LYS  72          2HG       LYS  72  26.519  -1.050   6.444
 1678   1HD   LYS  72          1HD       LYS  72  28.540  -1.013   5.303
 1679   2HD   LYS  72          2HD       LYS  72  27.772  -1.211   3.728
 1680   1HE   LYS  72          1HE       LYS  72  28.306   1.048   3.598
 1681   2HE   LYS  72          2HE       LYS  72  26.730   1.187   4.402
 1682   1HZ   LYS  72          1HZ       LYS  72  27.983   0.900   6.545
 1683   2HZ   LYS  72          2HZ       LYS  72  28.274   2.367   5.740
 1684   3HZ   LYS  72          3HZ       LYS  72  29.419   1.115   5.664
 1685    H    ASP  73           H        ASP  73  23.991  -4.881   4.051
 1686    HA   ASP  73           HA       ASP  73  25.474  -5.836   1.634
 1687   1HB   ASP  73          1HB       ASP  73  24.153  -7.261   3.975
 1688   2HB   ASP  73          2HB       ASP  73  25.005  -8.075   2.663
 1689    HA   PRO  74           HA       PRO  74  21.001  -5.358   0.402
 1690   1HB   PRO  74          1HB       PRO  74  21.679  -4.699  -2.226
 1691   2HB   PRO  74          2HB       PRO  74  21.346  -3.524  -0.943
 1692   1HG   PRO  74          1HG       PRO  74  23.945  -4.483  -2.013
 1693   2HG   PRO  74          2HG       PRO  74  23.488  -2.879  -1.423
 1694   1HD   PRO  74          1HD       PRO  74  24.993  -4.606   0.023
 1695   2HD   PRO  74          2HD       PRO  74  23.889  -3.432   0.772
 1696    H    ASN  75           H        ASN  75  20.463  -7.544   0.342
 1697    HA   ASN  75           HA       ASN  75  21.805  -9.327  -1.617
 1698   1HB   ASN  75          1HB       ASN  75  19.790  -9.712   0.625
 1699   2HB   ASN  75          2HB       ASN  75  20.404 -11.034  -0.368
 1700   1HD2  ASN  75          1HD2      ASN  75  21.021 -11.354   2.246
 1701   2HD2  ASN  75          2HD2      ASN  75  22.631 -10.932   2.578
 1702    H    ALA  76           H        ALA  76  18.863  -7.518  -1.223
 1703    HA   ALA  76           HA       ALA  76  17.732  -8.884  -3.643
 1704   1HB   ALA  76          1HB       ALA  76  15.818  -7.542  -1.879
 1705   2HB   ALA  76          2HB       ALA  76  16.745  -8.775  -1.025
 1706   3HB   ALA  76          3HB       ALA  76  15.815  -9.207  -2.459
 1707    H    ARG  77           H        ARG  77  15.943  -7.294  -4.603
 1708    HA   ARG  77           HA       ARG  77  16.741  -4.442  -4.363
 1709   1HB   ARG  77          1HB       ARG  77  17.621  -6.283  -6.398
 1710   2HB   ARG  77          2HB       ARG  77  16.579  -5.072  -7.143
 1711   1HG   ARG  77          1HG       ARG  77  18.268  -3.706  -5.303
 1712   2HG   ARG  77          2HG       ARG  77  19.293  -4.782  -6.251
 1713   1HD   ARG  77          1HD       ARG  77  17.323  -2.752  -7.369
 1714   2HD   ARG  77          2HD       ARG  77  19.092  -2.643  -7.429
 1715    HE   ARG  77           HE       ARG  77  17.419  -4.389  -9.084
 1716   1HH1  ARG  77          1HH1      ARG  77  20.552  -3.904  -7.642
 1717   2HH1  ARG  77          2HH1      ARG  77  21.360  -4.902  -8.799
 1718   1HH2  ARG  77          1HH2      ARG  77  18.492  -5.680 -10.573
 1719   2HH2  ARG  77          2HH2      ARG  77  20.205  -5.901 -10.446
 1720    H    HIS  78           H        HIS  78  15.227  -3.060  -5.736
 1721    HA   HIS  78           HA       HIS  78  12.532  -4.364  -5.948
 1722   1HB   HIS  78          1HB       HIS  78  11.681  -2.114  -5.256
 1723   2HB   HIS  78          2HB       HIS  78  12.750  -2.819  -4.043
 1724    HD1  HIS  78           HD1      HIS  78  15.062  -1.718  -3.695
 1725    HD2  HIS  78           HD2      HIS  78  12.783   0.121  -6.663
 1726    HE1  HIS  78           HE1      HIS  78  16.231   0.460  -4.251
 1727    H    GLU  79           H        GLU  79  11.683  -4.279  -7.983
 1728    HA   GLU  79           HA       GLU  79  12.874  -2.345  -9.934
 1729   1HB   GLU  79          1HB       GLU  79  12.873  -4.971 -10.127
 1730   2HB   GLU  79          2HB       GLU  79  11.190  -4.755 -10.602
 1731   1HG   GLU  79          1HG       GLU  79  11.771  -3.476 -12.505
 1732   2HG   GLU  79          2HG       GLU  79  13.404  -3.177 -11.911
 1733    H    LEU  80           H        LEU  80  11.195  -1.714 -11.696
 1734    HA   LEU  80           HA       LEU  80   8.552  -1.169 -10.383
 1735   1HB   LEU  80          1HB       LEU  80  10.509   0.492 -11.935
 1736   2HB   LEU  80          2HB       LEU  80   8.794   0.875 -12.090
 1737    HG   LEU  80           HG       LEU  80   9.939   0.452  -9.351
 1738   1HD1  LEU  80          1HD1      LEU  80  10.819   2.486 -11.223
 1739   2HD1  LEU  80          2HD1      LEU  80  11.391   2.161  -9.587
 1740   3HD1  LEU  80          3HD1      LEU  80  10.004   3.220  -9.842
 1741   1HD2  LEU  80          1HD2      LEU  80   7.451   0.865 -10.054
 1742   2HD2  LEU  80          2HD2      LEU  80   7.966   2.541 -10.243
 1743   3HD2  LEU  80          3HD2      LEU  80   8.106   1.747  -8.674
 1744    H    THR  81           H        THR  81   6.716  -1.384 -11.688
 1745    HA   THR  81           HA       THR  81   7.174  -2.657 -14.364
 1746    HB   THR  81           HB       THR  81   5.059  -3.000 -12.208
 1747    HG1  THR  81           HG1      THR  81   6.185  -4.690 -11.701
 1748   1HG2  THR  81          1HG2      THR  81   4.797  -5.021 -14.143
 1749   2HG2  THR  81          2HG2      THR  81   4.928  -3.517 -15.056
 1750   3HG2  THR  81          3HG2      THR  81   3.669  -3.700 -13.834
 1751    H    ALA  82           H        ALA  82   5.905  -1.903 -16.099
 1752    HA   ALA  82           HA       ALA  82   4.655  -0.313 -17.321
 1753   1HB   ALA  82          1HB       ALA  82   3.214  -0.936 -14.779
 1754   2HB   ALA  82          2HB       ALA  82   2.688  -1.166 -16.446
 1755   3HB   ALA  82          3HB       ALA  82   2.615   0.435 -15.712
 1756    H    GLY  83           H        GLY  83   6.931   0.673 -15.707
 1757   1HA   GLY  83          1HA       GLY  83   7.812   2.872 -15.480
 1758   2HA   GLY  83          2HA       GLY  83   6.186   3.518 -15.699
 1759    H    LEU  84           H        LEU  84   4.879   3.828 -13.872
 1760    HA   LEU  84           HA       LEU  84   6.177   3.252 -11.227
 1761   1HB   LEU  84          1HB       LEU  84   5.397   5.696 -12.538
 1762   2HB   LEU  84          2HB       LEU  84   4.397   5.487 -11.103
 1763    HG   LEU  84           HG       LEU  84   6.384   5.225  -9.707
 1764   1HD1  LEU  84          1HD1      LEU  84   7.608   4.564 -12.183
 1765   2HD1  LEU  84          2HD1      LEU  84   8.346   4.553 -10.581
 1766   3HD1  LEU  84          3HD1      LEU  84   8.422   6.006 -11.578
 1767   1HD2  LEU  84          1HD2      LEU  84   6.099   7.593 -11.498
 1768   2HD2  LEU  84          2HD2      LEU  84   7.537   7.511 -10.481
 1769   3HD2  LEU  84          3HD2      LEU  84   5.934   7.485  -9.746
 1770    H    LYS  85           H        LYS  85   4.062   1.766 -12.842
 1771    HA   LYS  85           HA       LYS  85   1.602   2.157 -11.252
 1772   1HB   LYS  85          1HB       LYS  85   2.513   0.582 -13.646
 1773   2HB   LYS  85          2HB       LYS  85   1.034   0.092 -12.820
 1774   1HG   LYS  85          1HG       LYS  85   1.586   2.898 -13.832
 1775   2HG   LYS  85          2HG       LYS  85   0.613   1.701 -14.688
 1776   1HD   LYS  85          1HD       LYS  85  -1.181   2.217 -13.431
 1777   2HD   LYS  85          2HD       LYS  85  -0.279   1.865 -11.957
 1778   1HE   LYS  85          1HE       LYS  85  -0.750   4.136 -11.640
 1779   2HE   LYS  85          2HE       LYS  85   0.808   4.252 -12.481
 1780   1HZ   LYS  85          1HZ       LYS  85  -1.899   4.337 -13.716
 1781   2HZ   LYS  85          2HZ       LYS  85  -0.448   4.276 -14.596
 1782   3HZ   LYS  85          3HZ       LYS  85  -0.792   5.622 -13.620
 1783    H    ARG  86           H        ARG  86   3.267  -0.871 -12.162
 1784    HA   ARG  86           HA       ARG  86   2.685  -1.917  -9.427
 1785   1HB   ARG  86          1HB       ARG  86   2.903  -2.954 -12.195
 1786   2HB   ARG  86          2HB       ARG  86   3.570  -4.017 -10.956
 1787   1HG   ARG  86          1HG       ARG  86   1.520  -4.505 -10.110
 1788   2HG   ARG  86          2HG       ARG  86   0.975  -2.832 -10.233
 1789   1HD   ARG  86          1HD       ARG  86  -0.091  -3.251 -12.195
 1790   2HD   ARG  86          2HD       ARG  86   1.338  -4.060 -12.866
 1791    HE   ARG  86           HE       ARG  86   0.186  -5.726 -10.843
 1792   1HH1  ARG  86          1HH1      ARG  86  -0.438  -4.539 -14.055
 1793   2HH1  ARG  86          2HH1      ARG  86  -1.377  -5.921 -14.502
 1794   1HH2  ARG  86          1HH2      ARG  86  -1.037  -7.509 -11.446
 1795   2HH2  ARG  86          2HH2      ARG  86  -1.715  -7.591 -13.038
 1796    H    MET  87           H        MET  87   4.481  -3.647  -8.786
 1797    HA   MET  87           HA       MET  87   7.197  -2.563  -9.416
 1798   1HB   MET  87          1HB       MET  87   5.760  -2.862  -6.787
 1799   2HB   MET  87          2HB       MET  87   7.518  -3.003  -6.828
 1800   1HG   MET  87          1HG       MET  87   7.598  -0.792  -8.029
 1801   2HG   MET  87          2HG       MET  87   5.858  -0.648  -7.776
 1802   1HE   MET  87          1HE       MET  87   8.608  -2.092  -4.950
 1803   2HE   MET  87          2HE       MET  87   9.322  -0.480  -4.902
 1804   3HE   MET  87          3HE       MET  87   9.168  -1.331  -6.439
 1805    H    ARG  88           H        ARG  88   8.873  -4.124  -9.229
 1806    HA   ARG  88           HA       ARG  88   8.004  -6.949  -8.728
 1807   1HB   ARG  88          1HB       ARG  88   8.005  -6.522 -11.113
 1808   2HB   ARG  88          2HB       ARG  88   9.569  -5.720 -11.023
 1809   1HG   ARG  88          1HG       ARG  88  10.321  -8.074 -10.022
 1810   2HG   ARG  88          2HG       ARG  88   8.920  -8.636 -10.932
 1811   1HD   ARG  88          1HD       ARG  88  11.182  -6.962 -12.080
 1812   2HD   ARG  88          2HD       ARG  88  10.981  -8.705 -12.325
 1813    HE   ARG  88           HE       ARG  88   8.536  -7.319 -12.959
 1814   1HH1  ARG  88          1HH1      ARG  88  11.744  -7.959 -14.150
 1815   2HH1  ARG  88          2HH1      ARG  88  11.282  -7.787 -15.807
 1816   1HH2  ARG  88          1HH2      ARG  88   7.961  -7.101 -15.119
 1817   2HH2  ARG  88          2HH2      ARG  88   9.158  -7.306 -16.355
 1818    H    ILE  89           H        ILE  89   9.154  -7.297  -6.814
 1819    HA   ILE  89           HA       ILE  89  11.914  -6.289  -6.527
 1820    HB   ILE  89           HB       ILE  89  10.134  -8.006  -4.755
 1821   1HG1  ILE  89          1HG1      ILE  89  10.646  -5.188  -4.054
 1822   2HG1  ILE  89          2HG1      ILE  89   9.696  -5.405  -5.524
 1823   1HG2  ILE  89          1HG2      ILE  89  11.671  -7.618  -3.011
 1824   2HG2  ILE  89          2HG2      ILE  89  12.444  -6.284  -3.868
 1825   3HG2  ILE  89          3HG2      ILE  89  12.709  -7.945  -4.399
 1826   1HD1  ILE  89          1HD1      ILE  89   8.466  -5.326  -3.208
 1827   2HD1  ILE  89          2HD1      ILE  89   9.023  -6.992  -3.059
 1828   3HD1  ILE  89          3HD1      ILE  89   7.976  -6.530  -4.400
 1829    H    PHE  90           H        PHE  90  13.751  -7.586  -6.629
 1830    HA   PHE  90           HA       PHE  90  13.334 -10.509  -7.158
 1831   1HB   PHE  90          1HB       PHE  90  14.576  -8.343  -8.725
 1832   2HB   PHE  90          2HB       PHE  90  15.603  -9.768  -8.564
 1833    HD1  PHE  90           HD1      PHE  90  15.324 -11.484 -10.117
 1834    HD2  PHE  90           HD2      PHE  90  12.005  -8.914  -9.211
 1835    HE1  PHE  90           HE1      PHE  90  13.949 -12.662 -11.811
 1836    HE2  PHE  90           HE2      PHE  90  10.632 -10.091 -10.906
 1837    HZ   PHE  90           HZ       PHE  90  11.601 -11.962 -12.204
 1838    H    THR  91           H        THR  91  15.941 -11.318  -7.262
 1839    HA   THR  91           HA       THR  91  17.096 -10.434  -4.638
 1840    HB   THR  91           HB       THR  91  17.768 -12.890  -4.475
 1841    HG1  THR  91           HG1      THR  91  17.563 -13.782  -6.383
 1842   1HG2  THR  91          1HG2      THR  91  15.926 -12.310  -3.138
 1843   2HG2  THR  91          2HG2      THR  91  15.286 -13.622  -4.127
 1844   3HG2  THR  91          3HG2      THR  91  14.909 -11.948  -4.533
 1845    H    ILE  92           H        ILE  92  18.739  -9.121  -5.546
 1846    HA   ILE  92           HA       ILE  92  20.324  -9.733  -7.828
 1847    HB   ILE  92           HB       ILE  92  21.821  -8.021  -6.842
 1848   1HG1  ILE  92          1HG1      ILE  92  20.087  -8.279  -4.367
 1849   2HG1  ILE  92          2HG1      ILE  92  21.704  -8.966  -4.512
 1850   1HG2  ILE  92          1HG2      ILE  92  20.254  -6.558  -7.522
 1851   2HG2  ILE  92          2HG2      ILE  92  19.469  -6.689  -5.949
 1852   3HG2  ILE  92          3HG2      ILE  92  18.995  -7.764  -7.263
 1853   1HD1  ILE  92          1HD1      ILE  92  22.696  -6.954  -4.198
 1854   2HD1  ILE  92          2HD1      ILE  92  21.121  -6.406  -3.625
 1855   3HD1  ILE  92          3HD1      ILE  92  21.587  -6.146  -5.306
 1856    H    LYS  93           H        LYS  93  20.350 -11.116  -4.657
 1857    HA   LYS  93           HA       LYS  93  22.760 -12.708  -5.379
 1858   1HB   LYS  93          1HB       LYS  93  22.272 -11.064  -2.875
 1859   2HB   LYS  93          2HB       LYS  93  23.520 -12.305  -2.972
 1860   1HG   LYS  93          1HG       LYS  93  23.938 -10.821  -5.275
 1861   2HG   LYS  93          2HG       LYS  93  23.493  -9.595  -4.088
 1862   1HD   LYS  93          1HD       LYS  93  25.501 -11.734  -3.399
 1863   2HD   LYS  93          2HD       LYS  93  26.000 -10.289  -4.278
 1864   1HE   LYS  93          1HE       LYS  93  24.794  -8.964  -2.403
 1865   2HE   LYS  93          2HE       LYS  93  24.844 -10.485  -1.491
 1866   1HZ   LYS  93          1HZ       LYS  93  27.143  -9.038  -2.705
 1867   2HZ   LYS  93          2HZ       LYS  93  27.250 -10.603  -2.056
 1868   3HZ   LYS  93          3HZ       LYS  93  26.858  -9.292  -1.050
 1869    HA   PRO  94           HA       PRO  94  20.097 -16.052  -4.156
 1870   1HB   PRO  94          1HB       PRO  94  22.728 -17.110  -3.152
 1871   2HB   PRO  94          2HB       PRO  94  21.469 -17.943  -4.088
 1872   1HG   PRO  94          1HG       PRO  94  23.636 -17.060  -5.289
 1873   2HG   PRO  94          2HG       PRO  94  22.056 -16.866  -6.056
 1874   1HD   PRO  94          1HD       PRO  94  23.774 -14.832  -4.716
 1875   2HD   PRO  94          2HD       PRO  94  22.688 -14.657  -6.111
 1876    H    ILE  95           H        ILE  95  18.957 -16.387  -2.255
 1877    HA   ILE  95           HA       ILE  95  20.222 -15.407   0.282
 1878    HB   ILE  95           HB       ILE  95  17.368 -15.420  -0.758
 1879   1HG1  ILE  95          1HG1      ILE  95  19.054 -13.093   0.177
 1880   2HG1  ILE  95          2HG1      ILE  95  19.087 -13.658  -1.492
 1881   1HG2  ILE  95          1HG2      ILE  95  17.088 -15.858   1.550
 1882   2HG2  ILE  95          2HG2      ILE  95  16.976 -14.102   1.439
 1883   3HG2  ILE  95          3HG2      ILE  95  18.470 -14.857   1.995
 1884   1HD1  ILE  95          1HD1      ILE  95  17.443 -11.955  -1.490
 1885   2HD1  ILE  95          2HD1      ILE  95  16.766 -12.494   0.047
 1886   3HD1  ILE  95          3HD1      ILE  95  16.513 -13.452  -1.412
 1887    H    ALA  96           H        ALA  96  20.111 -16.768   2.081
 1888    HA   ALA  96           HA       ALA  96  19.420 -19.589   1.551
 1889   1HB   ALA  96          1HB       ALA  96  21.520 -18.989   2.654
 1890   2HB   ALA  96          2HB       ALA  96  20.499 -19.842   3.811
 1891   3HB   ALA  96          3HB       ALA  96  20.645 -18.087   3.892
 1892    H    ILE  97           H        ILE  97  18.111 -20.792   3.179
 1893    HA   ILE  97           HA       ILE  97  15.566 -19.575   3.665
 1894    HB   ILE  97           HB       ILE  97  16.921 -22.034   4.835
 1895   1HG1  ILE  97          1HG1      ILE  97  14.886 -22.073   2.635
 1896   2HG1  ILE  97          2HG1      ILE  97  16.551 -21.647   2.241
 1897   1HG2  ILE  97          1HG2      ILE  97  14.484 -20.831   5.559
 1898   2HG2  ILE  97          2HG2      ILE  97  15.014 -22.466   5.956
 1899   3HG2  ILE  97          3HG2      ILE  97  14.043 -22.180   4.512
 1900   1HD1  ILE  97          1HD1      ILE  97  17.063 -23.801   3.732
 1901   2HD1  ILE  97          2HD1      ILE  97  16.687 -23.943   2.015
 1902   3HD1  ILE  97          3HD1      ILE  97  15.434 -24.241   3.220
 1903    H    GLY  98           H        GLY  98  15.233 -17.987   5.171
 1904   1HA   GLY  98          1HA       GLY  98  14.986 -17.365   7.507
 1905   2HA   GLY  98          2HA       GLY  98  16.370 -18.388   7.891
 1906    H    GLU  99           H        GLU  99  16.111 -15.952   5.310
 1907    HA   GLU  99           HA       GLU  99  18.435 -14.539   6.570
 1908   1HB   GLU  99          1HB       GLU  99  17.659 -15.392   3.862
 1909   2HB   GLU  99          2HB       GLU  99  18.208 -13.717   3.925
 1910   1HG   GLU  99          1HG       GLU  99  19.890 -15.476   5.536
 1911   2HG   GLU  99          2HG       GLU  99  19.843 -15.977   3.846
 1912    H    GLU 100           H        GLU 100  18.433 -12.104   5.733
 1913    HA   GLU 100           HA       GLU 100  15.693 -11.011   6.273
 1914   1HB   GLU 100          1HB       GLU 100  17.984 -10.683   7.680
 1915   2HB   GLU 100          2HB       GLU 100  18.163  -9.356   6.533
 1916   1HG   GLU 100          1HG       GLU 100  15.451  -9.521   7.607
 1917   2HG   GLU 100          2HG       GLU 100  16.654  -9.302   8.878
 1918    H    ILE 101           H        ILE 101  14.755 -10.236   4.433
 1919    HA   ILE 101           HA       ILE 101  16.428  -9.386   2.147
 1920    HB   ILE 101           HB       ILE 101  13.430  -9.640   2.575
 1921   1HG1  ILE 101          1HG1      ILE 101  15.428 -11.449   1.188
 1922   2HG1  ILE 101          2HG1      ILE 101  14.652 -11.777   2.736
 1923   1HG2  ILE 101          1HG2      ILE 101  13.124  -9.195   0.305
 1924   2HG2  ILE 101          2HG2      ILE 101  14.795  -9.590  -0.098
 1925   3HG2  ILE 101          3HG2      ILE 101  14.419  -8.069   0.711
 1926   1HD1  ILE 101          1HD1      ILE 101  12.705 -11.090   0.678
 1927   2HD1  ILE 101          2HD1      ILE 101  12.765 -12.504   1.730
 1928   3HD1  ILE 101          3HD1      ILE 101  13.674 -12.490   0.218
 1929    H    THR 102           H        THR 102  16.953  -7.291   1.846
 1930    HA   THR 102           HA       THR 102  15.095  -5.110   2.544
 1931    HB   THR 102           HB       THR 102  16.985  -4.053   3.940
 1932    HG1  THR 102           HG1      THR 102  17.862  -6.730   4.119
 1933   1HG2  THR 102          1HG2      THR 102  15.933  -6.642   5.094
 1934   2HG2  THR 102          2HG2      THR 102  14.896  -5.239   4.832
 1935   3HG2  THR 102          3HG2      THR 102  16.264  -5.130   5.940
 1936    H    ILE 103           H        ILE 103  15.431  -3.415   1.087
 1937    HA   ILE 103           HA       ILE 103  17.765  -3.680  -0.753
 1938    HB   ILE 103           HB       ILE 103  16.380  -2.289  -2.237
 1939   1HG1  ILE 103          1HG1      ILE 103  13.924  -2.161  -0.826
 1940   2HG1  ILE 103          2HG1      ILE 103  15.163  -1.537   0.263
 1941   1HG2  ILE 103          1HG2      ILE 103  15.132  -4.082  -2.816
 1942   2HG2  ILE 103          2HG2      ILE 103  14.222  -4.024  -1.307
 1943   3HG2  ILE 103          3HG2      ILE 103  15.772  -4.863  -1.369
 1944   1HD1  ILE 103          1HD1      ILE 103  15.870  -0.382  -2.134
 1945   2HD1  ILE 103          2HD1      ILE 103  14.911   0.408  -0.883
 1946   3HD1  ILE 103          3HD1      ILE 103  14.110  -0.391  -2.236
 1947    H    SER 104           H        SER 104  18.652  -1.482  -1.533
 1948    HA   SER 104           HA       SER 104  19.093   0.254   0.862
 1949   1HB   SER 104          1HB       SER 104  21.168   0.856  -0.348
 1950   2HB   SER 104          2HB       SER 104  21.024  -0.896  -0.211
 1951    HG   SER 104           HG       SER 104  21.500   0.215  -2.369
 1952    H    TYR 105           H        TYR 105  19.988   2.554  -0.357
 1953    HA   TYR 105           HA       TYR 105  17.634   3.454  -1.991
 1954   1HB   TYR 105          1HB       TYR 105  19.244   5.049   0.037
 1955   2HB   TYR 105          2HB       TYR 105  17.738   5.538  -0.735
 1956    HD1  TYR 105           HD1      TYR 105  16.242   2.916  -0.568
 1957    HD2  TYR 105           HD2      TYR 105  18.614   5.023   2.329
 1958    HE1  TYR 105           HE1      TYR 105  14.959   1.844   1.264
 1959    HE2  TYR 105           HE2      TYR 105  17.330   3.951   4.159
 1960    HH   TYR 105           HH       TYR 105  15.474   1.283   3.783
 1961    H    GLY 106           H        GLY 106  20.926   4.541  -1.065
 1962   1HA   GLY 106          1HA       GLY 106  22.671   5.384  -2.385
 1963   2HA   GLY 106          2HA       GLY 106  21.935   4.536  -3.744
 1964    H    ASP 107           H        ASP 107  23.106   7.113  -3.971
 1965    HA   ASP 107           HA       ASP 107  22.634   9.222  -4.909
 1966   1HB   ASP 107          1HB       ASP 107  20.877   7.276  -5.922
 1967   2HB   ASP 107          2HB       ASP 107  19.843   8.651  -5.535
 1968    H    ASP 108           H        ASP 108  22.516  10.794  -3.368
 1969    HA   ASP 108           HA       ASP 108  21.612  12.295  -1.806
 1970   1HB   ASP 108          1HB       ASP 108  20.087  12.665  -3.668
 1971   2HB   ASP 108          2HB       ASP 108  19.123  11.265  -3.208
 1972    H    TYR 109           H        TYR 109  18.890  10.004  -1.744
 1973    HA   TYR 109           HA       TYR 109  18.335  10.001   0.953
 1974   1HB   TYR 109          1HB       TYR 109  17.789   8.438  -1.347
 1975   2HB   TYR 109          2HB       TYR 109  18.225   7.298  -0.073
 1976    HD1  TYR 109           HD1      TYR 109  16.651   6.710   1.564
 1977    HD2  TYR 109           HD2      TYR 109  16.087  10.305  -0.719
 1978    HE1  TYR 109           HE1      TYR 109  14.422   7.022   2.606
 1979    HE2  TYR 109           HE2      TYR 109  13.858  10.617   0.323
 1980    HH   TYR 109           HH       TYR 109  12.101   8.607   1.539
 1981    H    TRP 110           H        TRP 110  19.804   9.834   2.603
 1982    HA   TRP 110           HA       TRP 110  21.561   8.986   3.934
 1983   1HB   TRP 110          1HB       TRP 110  19.770   6.933   3.001
 1984   2HB   TRP 110          2HB       TRP 110  21.391   6.251   3.135
 1985    HD1  TRP 110           HD1      TRP 110  22.572   6.333   5.539
 1986    HE1  TRP 110           HE1      TRP 110  21.581   6.489   7.914
 1987    HE3  TRP 110           HE3      TRP 110  17.842   7.898   4.419
 1988    HZ2  TRP 110           HZ2      TRP 110  19.108   7.186   9.172
 1989    HZ3  TRP 110           HZ3      TRP 110  16.191   8.300   6.222
 1990    HH2  TRP 110           HH2      TRP 110  16.817   7.946   8.595
 1991    H    LEU 111           H        LEU 111  23.271   6.793   3.485
 1992    HA   LEU 111           HA       LEU 111  25.406   7.859   2.027
 1993   1HB   LEU 111          1HB       LEU 111  24.931   5.678   3.569
 1994   2HB   LEU 111          2HB       LEU 111  25.009   4.903   1.987
 1995    HG   LEU 111           HG       LEU 111  27.126   6.899   2.696
 1996   1HD1  LEU 111          1HD1      LEU 111  27.489   5.701   4.625
 1997   2HD1  LEU 111          2HD1      LEU 111  28.327   4.627   3.505
 1998   3HD1  LEU 111          3HD1      LEU 111  26.676   4.263   4.008
 1999   1HD2  LEU 111          1HD2      LEU 111  28.479   5.271   1.347
 2000   2HD2  LEU 111          2HD2      LEU 111  27.109   5.943   0.461
 2001   3HD2  LEU 111          3HD2      LEU 111  27.018   4.310   1.121
 2002    H    SER 112           H        SER 112  26.023   7.818  -0.134
 2003    HA   SER 112           HA       SER 112  23.999   7.277  -2.150
 2004   1HB   SER 112          1HB       SER 112  26.237   8.851  -1.881
 2005   2HB   SER 112          2HB       SER 112  26.839   7.574  -2.937
 2006    HG   SER 112           HG       SER 112  24.820   9.456  -3.365
 2007    H    ARG 113           H        ARG 113  25.960   6.195  -4.110
 2008    HA   ARG 113           HA       ARG 113  25.378   3.474  -4.115
 2009   1HB   ARG 113          1HB       ARG 113  27.888   4.923  -5.028
 2010   2HB   ARG 113          2HB       ARG 113  27.393   3.326  -5.589
 2011   1HG   ARG 113          1HG       ARG 113  25.133   4.543  -6.165
 2012   2HG   ARG 113          2HG       ARG 113  26.128   5.999  -6.124
 2013   1HD   ARG 113          1HD       ARG 113  27.608   5.107  -7.838
 2014   2HD   ARG 113          2HD       ARG 113  26.777   3.541  -7.792
 2015    HE   ARG 113           HE       ARG 113  25.800   5.950  -9.111
 2016   1HH1  ARG 113          1HH1      ARG 113  24.880   3.037  -7.442
 2017   2HH1  ARG 113          2HH1      ARG 113  23.326   2.964  -8.198
 2018   1HH2  ARG 113          1HH2      ARG 113  23.778   5.833 -10.079
 2019   2HH2  ARG 113          2HH2      ARG 113  22.705   4.533  -9.680
 2020    HA   PRO 114           HA       PRO 114  27.877   2.442  -0.472
 2021   1HB   PRO 114          1HB       PRO 114  26.681   0.000  -0.038
 2022   2HB   PRO 114          2HB       PRO 114  26.005   1.532   0.545
 2023   1HG   PRO 114          1HG       PRO 114  25.231  -0.118  -1.801
 2024   2HG   PRO 114          2HG       PRO 114  24.221   0.846  -0.715
 2025   1HD   PRO 114          1HD       PRO 114  24.982   1.627  -3.239
 2026   2HD   PRO 114          2HD       PRO 114  24.514   2.744  -1.943
 2027    H    ARG 115           H        ARG 115  29.832   2.103  -1.655
 2028    HA   ARG 115           HA       ARG 115  30.165  -0.245  -3.377
 2029   1HB   ARG 115          1HB       ARG 115  31.530   2.238  -2.654
 2030   2HB   ARG 115          2HB       ARG 115  32.657   0.886  -2.763
 2031   1HG   ARG 115          1HG       ARG 115  32.608   1.144  -5.004
 2032   2HG   ARG 115          2HG       ARG 115  30.938   0.578  -4.963
 2033   1HD   ARG 115          1HD       ARG 115  30.065   2.750  -5.036
 2034   2HD   ARG 115          2HD       ARG 115  31.536   3.468  -4.353
 2035    HE   ARG 115           HE       ARG 115  32.088   2.141  -6.867
 2036   1HH1  ARG 115          1HH1      ARG 115  30.752   5.030  -5.458
 2037   2HH1  ARG 115          2HH1      ARG 115  31.108   6.002  -6.843
 2038   1HH2  ARG 115          1HH2      ARG 115  32.539   3.423  -8.653
 2039   2HH2  ARG 115          2HH2      ARG 115  32.112   5.101  -8.640
 2040    H    LEU 116           H        LEU 116  30.007  -2.140  -2.122
 2041    HA   LEU 116           HA       LEU 116  32.139  -2.481  -0.047
 2042   1HB   LEU 116          1HB       LEU 116  29.338  -2.293   0.330
 2043   2HB   LEU 116          2HB       LEU 116  29.734  -4.001   0.521
 2044    HG   LEU 116           HG       LEU 116  31.760  -2.937   1.940
 2045   1HD1  LEU 116          1HD1      LEU 116  29.623  -1.119   2.889
 2046   2HD1  LEU 116          2HD1      LEU 116  30.376  -0.665   1.361
 2047   3HD1  LEU 116          3HD1      LEU 116  31.366  -0.861   2.807
 2048   1HD2  LEU 116          1HD2      LEU 116  30.526  -3.528   3.910
 2049   2HD2  LEU 116          2HD2      LEU 116  29.950  -4.594   2.628
 2050   3HD2  LEU 116          3HD2      LEU 116  28.984  -3.202   3.118
 2051    H    THR 117           H        THR 117  32.939  -4.655   0.108
 2052    HA   THR 117           HA       THR 117  32.098  -6.455  -2.143
 2053    HB   THR 117           HB       THR 117  34.849  -6.337  -0.894
 2054    HG1  THR 117           HG1      THR 117  33.966  -4.820  -3.116
 2055   1HG2  THR 117          1HG2      THR 117  33.603  -7.372  -3.422
 2056   2HG2  THR 117          2HG2      THR 117  34.735  -8.170  -2.330
 2057   3HG2  THR 117          3HG2      THR 117  35.306  -6.913  -3.428
 2058    H    GLN 118           H        GLN 118  32.510  -8.794  -1.671
 2059    HA   GLN 118           HA       GLN 118  31.356  -9.700   0.734
 2060   1HB   GLN 118          1HB       GLN 118  32.293 -10.746  -1.652
 2061   2HB   GLN 118          2HB       GLN 118  33.385 -11.470  -0.470
 2062   1HG   GLN 118          1HG       GLN 118  31.746 -12.772   0.416
 2063   2HG   GLN 118          2HG       GLN 118  30.556 -11.471   0.354
 2064   1HE2  GLN 118          1HE2      GLN 118  29.186 -11.340  -1.518
 2065   2HE2  GLN 118          2HE2      GLN 118  29.202 -12.508  -2.750
 2066    H    ASN 119           H        ASN 119  32.262  -8.902   2.657
 2067    HA   ASN 119           HA       ASN 119  33.840  -8.684   4.402
 2068   1HB   ASN 119          1HB       ASN 119  33.906 -11.296   3.219
 2069   2HB   ASN 119          2HB       ASN 119  35.556 -10.862   3.665
 2070   1HD2  ASN 119          1HD2      ASN 119  32.263 -10.481   5.125
 2071   2HD2  ASN 119          2HD2      ASN 119  32.745 -10.951   6.683
 2072   1H    GLY 201          1H        GLY 201  29.216  38.165  17.787
 2073   2H    GLY 201          2H        GLY 201  28.560  38.370  16.234
 2074   3H    GLY 201          3H        GLY 201  29.910  37.365  16.460
 2075   1HA   GLY 201          1HA       GLY 201  28.628  35.789  17.699
 2076   2HA   GLY 201          2HA       GLY 201  27.230  36.863  17.634
 2077    H    LYS 202           H        LYS 202  26.713  37.563  15.240
 2078    HA   LYS 202           HA       LYS 202  25.888  36.823  13.153
 2079   1HB   LYS 202          1HB       LYS 202  28.679  36.378  13.422
 2080   2HB   LYS 202          2HB       LYS 202  28.031  34.949  12.617
 2081   1HG   LYS 202          1HG       LYS 202  27.301  36.150  10.772
 2082   2HG   LYS 202          2HG       LYS 202  27.104  37.642  11.692
 2083   1HD   LYS 202          1HD       LYS 202  29.103  38.299  10.880
 2084   2HD   LYS 202          2HD       LYS 202  29.840  37.040  11.872
 2085   1HE   LYS 202          1HE       LYS 202  29.594  35.420  10.025
 2086   2HE   LYS 202          2HE       LYS 202  28.825  36.670   9.027
 2087   1HZ   LYS 202          1HZ       LYS 202  30.801  38.046   9.305
 2088   2HZ   LYS 202          2HZ       LYS 202  31.214  36.557   8.600
 2089   3HZ   LYS 202          3HZ       LYS 202  31.538  36.837  10.244
 2090    H    ALA 203           H        ALA 203  25.973  34.399  11.854
 2091    HA   ALA 203           HA       ALA 203  24.973  32.405  13.855
 2092   1HB   ALA 203          1HB       ALA 203  23.346  33.946  12.353
 2093   2HB   ALA 203          2HB       ALA 203  22.942  32.274  12.746
 2094   3HB   ALA 203          3HB       ALA 203  23.658  32.665  11.182
 2095    HA   PRO 204           HA       PRO 204  27.419  29.438  11.742
 2096   1HB   PRO 204          1HB       PRO 204  25.100  27.585  11.660
 2097   2HB   PRO 204          2HB       PRO 204  26.670  27.380  12.454
 2098   1HG   PRO 204          1HG       PRO 204  24.403  27.852  13.823
 2099   2HG   PRO 204          2HG       PRO 204  25.985  28.427  14.366
 2100   1HD   PRO 204          1HD       PRO 204  23.747  29.936  13.118
 2101   2HD   PRO 204          2HD       PRO 204  24.938  30.464  14.326
 2102    H    ARG 205           H        ARG 205  27.883  29.462   9.580
 2103    HA   ARG 205           HA       ARG 205  25.767  30.022   7.614
 2104   1HB   ARG 205          1HB       ARG 205  28.484  30.558   7.934
 2105   2HB   ARG 205          2HB       ARG 205  28.456  29.355   6.644
 2106   1HG   ARG 205          1HG       ARG 205  26.390  30.978   5.890
 2107   2HG   ARG 205          2HG       ARG 205  27.476  32.145   6.645
 2108   1HD   ARG 205          1HD       ARG 205  28.913  30.249   4.933
 2109   2HD   ARG 205          2HD       ARG 205  27.708  31.198   4.041
 2110    HE   ARG 205           HE       ARG 205  28.901  33.080   5.663
 2111   1HH1  ARG 205          1HH1      ARG 205  30.118  30.686   3.449
 2112   2HH1  ARG 205          2HH1      ARG 205  31.519  31.615   3.043
 2113   1HH2  ARG 205          1HH2      ARG 205  30.727  34.267   5.120
 2114   2HH2  ARG 205          2HH2      ARG 205  31.864  33.627   3.981
 2115    H    LYS 206           H        LYS 206  24.515  28.213   7.156
 2116    HA   LYS 206           HA       LYS 206  25.969  25.803   6.147
 2117   1HB   LYS 206          1HB       LYS 206  24.334  26.127   8.535
 2118   2HB   LYS 206          2HB       LYS 206  23.639  24.912   7.461
 2119   1HG   LYS 206          1HG       LYS 206  26.559  24.950   8.271
 2120   2HG   LYS 206          2HG       LYS 206  25.329  24.006   9.113
 2121   1HD   LYS 206          1HD       LYS 206  25.667  23.771   6.128
 2122   2HD   LYS 206          2HD       LYS 206  26.695  22.846   7.223
 2123   1HE   LYS 206          1HE       LYS 206  24.952  21.500   7.927
 2124   2HE   LYS 206          2HE       LYS 206  23.750  22.792   7.747
 2125   1HZ   LYS 206          1HZ       LYS 206  24.262  22.642   5.282
 2126   2HZ   LYS 206          2HZ       LYS 206  23.380  21.349   5.941
 2127   3HZ   LYS 206          3HZ       LYS 206  25.039  21.170   5.623
 2128    H    GLN 207           H        GLN 207  24.865  24.728   4.453
 2129    HA   GLN 207           HA       GLN 207  23.103  26.253   2.809
 2130   1HB   GLN 207          1HB       GLN 207  24.208  23.501   2.989
 2131   2HB   GLN 207          2HB       GLN 207  22.738  23.659   2.028
 2132   1HG   GLN 207          1HG       GLN 207  23.742  25.219   0.549
 2133   2HG   GLN 207          2HG       GLN 207  25.077  25.533   1.657
 2134   1HE2  GLN 207          1HE2      GLN 207  26.843  24.794   0.385
 2135   2HE2  GLN 207          2HE2      GLN 207  26.982  23.204  -0.193
 2136    H    LEU 208           H        LEU 208  20.834  25.671   2.255
 2137    HA   LEU 208           HA       LEU 208  19.344  24.644   4.649
 2138   1HB   LEU 208          1HB       LEU 208  18.832  26.809   2.598
 2139   2HB   LEU 208          2HB       LEU 208  17.522  26.163   3.587
 2140    HG   LEU 208           HG       LEU 208  20.072  27.072   4.896
 2141   1HD1  LEU 208          1HD1      LEU 208  18.654  28.776   3.257
 2142   2HD1  LEU 208          2HD1      LEU 208  19.632  29.283   4.634
 2143   3HD1  LEU 208          3HD1      LEU 208  17.895  29.049   4.825
 2144   1HD2  LEU 208          1HD2      LEU 208  17.300  26.369   5.648
 2145   2HD2  LEU 208          2HD2      LEU 208  17.959  27.780   6.476
 2146   3HD2  LEU 208          3HD2      LEU 208  18.789  26.227   6.581
 2147    H    ALA 209           H        ALA 209  19.808  24.403   1.189
 2148    HA   ALA 209           HA       ALA 209  18.009  22.033   1.148
 2149   1HB   ALA 209          1HB       ALA 209  16.466  23.040  -0.202
 2150   2HB   ALA 209          2HB       ALA 209  17.712  23.826  -1.173
 2151   3HB   ALA 209          3HB       ALA 209  17.185  24.555   0.344
 2152    H    THR 210           H        THR 210  18.894  20.426  -0.117
 2153    HA   THR 210           HA       THR 210  20.948  21.190  -2.155
 2154    HB   THR 210           HB       THR 210  21.161  18.992  -0.063
 2155    HG1  THR 210           HG1      THR 210  22.624  20.346   0.919
 2156   1HG2  THR 210          1HG2      THR 210  22.423  19.257  -2.539
 2157   2HG2  THR 210          2HG2      THR 210  22.969  18.251  -1.196
 2158   3HG2  THR 210          3HG2      THR 210  23.601  19.887  -1.387
 2159    H    LYS 211           H        LYS 211  18.784  20.686  -3.383
 2160    HA   LYS 211           HA       LYS 211  17.568  19.214  -4.774
 2161   1HB   LYS 211          1HB       LYS 211  20.181  17.702  -4.403
 2162   2HB   LYS 211          2HB       LYS 211  19.018  17.409  -5.696
 2163   1HG   LYS 211          1HG       LYS 211  19.469  19.455  -6.740
 2164   2HG   LYS 211          2HG       LYS 211  20.109  20.178  -5.264
 2165   1HD   LYS 211          1HD       LYS 211  22.174  19.132  -5.488
 2166   2HD   LYS 211          2HD       LYS 211  21.511  17.800  -6.435
 2167   1HE   LYS 211          1HE       LYS 211  21.907  18.897  -8.385
 2168   2HE   LYS 211          2HE       LYS 211  21.154  20.381  -7.772
 2169   1HZ   LYS 211          1HZ       LYS 211  23.117  20.996  -6.671
 2170   2HZ   LYS 211          2HZ       LYS 211  23.652  20.452  -8.189
 2171   3HZ   LYS 211          3HZ       LYS 211  23.804  19.450  -6.825
 2172    H    ALA 212           H        ALA 212  16.087  18.748  -2.913
 2173    HA   ALA 212           HA       ALA 212  16.544  16.407  -1.241
 2174   1HB   ALA 212          1HB       ALA 212  14.062  18.038  -1.903
 2175   2HB   ALA 212          2HB       ALA 212  15.185  18.370  -0.584
 2176   3HB   ALA 212          3HB       ALA 212  14.202  16.905  -0.558
 2177    H    ALA 213           H        ALA 213  16.804  14.564  -2.579
 2178    HA   ALA 213           HA       ALA 213  14.583  13.945  -4.485
 2179   1HB   ALA 213          1HB       ALA 213  16.911  13.999  -5.331
 2180   2HB   ALA 213          2HB       ALA 213  16.262  12.361  -5.414
 2181   3HB   ALA 213          3HB       ALA 213  17.379  12.802  -4.123
 2182    H    ARG 214           H        ARG 214  13.795  11.684  -4.485
 2183    HA   ARG 214           HA       ARG 214  13.499  10.648  -1.733
 2184   1HB   ARG 214          1HB       ARG 214  12.336   9.754  -4.399
 2185   2HB   ARG 214          2HB       ARG 214  11.749   9.284  -2.804
 2186   1HG   ARG 214          1HG       ARG 214  11.897  12.173  -3.689
 2187   2HG   ARG 214          2HG       ARG 214  10.467  11.175  -3.948
 2188   1HD   ARG 214          1HD       ARG 214   9.936  12.079  -1.869
 2189   2HD   ARG 214          2HD       ARG 214  10.848  10.654  -1.334
 2190    HE   ARG 214           HE       ARG 214  12.594  12.903  -1.912
 2191   1HH1  ARG 214          1HH1      ARG 214  10.458  11.520   0.463
 2192   2HH1  ARG 214          2HH1      ARG 214  11.251  12.296   1.790
 2193   1HH2  ARG 214          1HH2      ARG 214  13.608  13.899  -0.173
 2194   2HH2  ARG 214          2HH2      ARG 214  13.021  13.632   1.434
 2195   1HN   MLZ 215          1HN       MLZ 215  13.069   7.880  -2.710
 2196    HA   MLZ 215           HA       MLZ 215  15.774   6.887  -2.394
 2197   1HB   MLZ 215          1HB       MLZ 215  12.999   5.860  -2.748
 2198   2HB   MLZ 215          2HB       MLZ 215  14.298   4.751  -3.189
 2199   1HG   MLZ 215          1HG       MLZ 215  14.681   6.205  -0.636
 2200   2HG   MLZ 215          2HG       MLZ 215  15.004   4.516  -1.029
 2201   1HD   MLZ 215          1HD       MLZ 215  12.213   5.645  -0.681
 2202   2HD   MLZ 215          2HD       MLZ 215  12.668   3.947  -0.820
 2203   1HE   MLZ 215          1HE       MLZ 215  12.634   5.642   1.552
 2204   2HE   MLZ 215          2HE       MLZ 215  14.225   4.896   1.308
 2205    HZ   MLZ 215           HZ       MLZ 215  13.226   2.763   1.097
 2206   1HCM  MLZ 215          1HCM      MLZ 215  11.613   3.853   3.291
 2207   2HCM  MLZ 215          2HCM      MLZ 215  13.369   3.991   3.378
 2208   3HCM  MLZ 215          3HCM      MLZ 215  12.615   2.402   3.253
 2209    H    SER 216           H        SER 216  17.177   6.126  -3.985
 2210    HA   SER 216           HA       SER 216  18.047   5.750  -6.149
 2211   1HB   SER 216          1HB       SER 216  16.112   7.620  -7.371
 2212   2HB   SER 216          2HB       SER 216  16.918   8.261  -5.939
 2213    HG   SER 216           HG       SER 216  18.437   8.671  -7.339
 2214    H    ALA 217           H        ALA 217  17.149   5.394  -8.578
 2215    HA   ALA 217           HA       ALA 217  14.962   3.389  -8.306
 2216   1HB   ALA 217          1HB       ALA 217  14.867   6.009  -9.581
 2217   2HB   ALA 217          2HB       ALA 217  13.547   4.882  -9.267
 2218   3HB   ALA 217          3HB       ALA 217  14.508   4.728 -10.738
 2219    HA   PRO 218           HA       PRO 218  17.817   1.203 -10.899
 2220   1HB   PRO 218          1HB       PRO 218  16.131  -0.814 -11.727
 2221   2HB   PRO 218          2HB       PRO 218  16.890  -0.775 -10.125
 2222   1HG   PRO 218          1HG       PRO 218  14.123  -0.041 -10.936
 2223   2HG   PRO 218          2HG       PRO 218  14.690  -0.850  -9.470
 2224   1HD   PRO 218          1HD       PRO 218  13.989   1.787  -9.574
 2225   2HD   PRO 218          2HD       PRO 218  15.162   1.127  -8.416
 2226    H    ALA 219           H        ALA 219  17.308  -0.079 -13.258
 2227    HA   ALA 219           HA       ALA 219  16.289   2.128 -15.000
 2228   1HB   ALA 219          1HB       ALA 219  17.689   0.043 -16.398
 2229   2HB   ALA 219          2HB       ALA 219  18.600   0.441 -14.941
 2230   3HB   ALA 219          3HB       ALA 219  18.216   1.702 -16.113
 2231    H    THR 220           H        THR 220  14.782   1.624 -16.665
 2232    HA   THR 220           HA       THR 220  13.697  -1.159 -16.715
 2233    HB   THR 220           HB       THR 220  12.034   1.375 -16.498
 2234    HG1  THR 220           HG1      THR 220  12.261   1.231 -14.430
 2235   1HG2  THR 220          1HG2      THR 220  11.191  -1.455 -15.887
 2236   2HG2  THR 220          2HG2      THR 220  11.132  -0.829 -17.535
 2237   3HG2  THR 220          3HG2      THR 220  10.178  -0.061 -16.266
 2238    H    GLY 221           H        GLY 221  14.240  -1.603 -18.854
 2239   1HA   GLY 221          1HA       GLY 221  12.997   0.155 -20.912
 2240   2HA   GLY 221          2HA       GLY 221  14.692  -0.300 -21.086
 2241   1HN   SAH 301          1HN       SAH 301 -10.724  -1.302  -7.926
 2242   2HN   SAH 301          2HN       SAH 301  -9.201  -0.754  -7.408
 2243    HA   SAH 301           HA       SAH 301 -11.362   0.921  -8.582
 2244   1HB   SAH 301          1HB       SAH 301 -10.959  -0.128  -6.042
 2245   2HB   SAH 301          2HB       SAH 301 -10.249   1.483  -5.928
 2246   1HG   SAH 301          1HG       SAH 301 -12.843   1.116  -5.500
 2247   2HG   SAH 301          2HG       SAH 301 -12.917   1.183  -7.261
 2248   1H5*  SAH 301          1H5*      SAH 301 -14.544   2.734  -6.530
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.311   4.350  -5.864
 2250    H4*  SAH 301           H4*      SAH 301 -13.232   4.742  -8.224
 2251    H3*  SAH 301           H3*      SAH 301 -15.778   5.205  -6.947
 2252   *HO3  SAH 301          *HO3      SAH 301 -13.929   6.470  -8.416
 2253    H2*  SAH 301           H2*      SAH 301 -17.239   4.428  -8.453
 2254   *HO2  SAH 301          *HO2      SAH 301 -17.465   5.823  -9.981
 2255    H1*  SAH 301           H1*      SAH 301 -15.541   3.504 -10.586
 2256    H8   SAH 301           H8       SAH 301 -16.018   1.542  -7.344
 2257   1HN6  SAH 301          1HN6      SAH 301 -20.608  -1.198  -9.614
 2258   2HN6  SAH 301          2HN6      SAH 301 -20.949   0.002  -8.388
 2259    H2   SAH 301           H2       SAH 301 -19.487   2.230 -12.672
 2260   1HN   SAH 302          1HN       SAH 302  10.957  -1.326   7.995
 2261   2HN   SAH 302          2HN       SAH 302   9.422  -0.777   7.517
 2262    HA   SAH 302           HA       SAH 302  11.619   0.883   8.645
 2263   1HB   SAH 302          1HB       SAH 302  11.141  -0.148   6.109
 2264   2HB   SAH 302          2HB       SAH 302  10.430   1.464   6.021
 2265   1HG   SAH 302          1HG       SAH 302  13.012   1.095   5.521
 2266   2HG   SAH 302          2HG       SAH 302  13.133   1.158   7.279
 2267   1H5*  SAH 302          1H5*      SAH 302  14.741   2.708   6.512
 2268   2H5*  SAH 302          2H5*      SAH 302  14.493   4.326   5.857
 2269    H4*  SAH 302           H4*      SAH 302  13.475   4.712   8.246
 2270    H3*  SAH 302           H3*      SAH 302  15.988   5.177   6.904
 2271   *HO3  SAH 302          *HO3      SAH 302  14.180   6.439   8.424
 2272    H2*  SAH 302           H2*      SAH 302  17.488   4.394   8.369
 2273   *HO2  SAH 302          *HO2      SAH 302  17.755   5.785   9.894
 2274    H1*  SAH 302           H1*      SAH 302  15.845   3.466  10.543
 2275    H8   SAH 302           H8       SAH 302  16.235   1.512   7.281
 2276   1HN6  SAH 302          1HN6      SAH 302  20.880  -1.238   9.425
 2277   2HN6  SAH 302          2HN6      SAH 302  21.191  -0.035   8.194
 2278    H2   SAH 302           H2       SAH 302  19.842   2.181  12.522
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1   1.219 -10.664  -4.566
    2   2H    MET   1          2H        MET   1   1.000 -12.267  -5.082
    3   3H    MET   1          3H        MET   1   0.081 -11.658  -3.791
    4    HA   MET   1           HA       MET   1  -0.886  -9.992  -5.390
    5   1HB   MET   1          1HB       MET   1   0.956 -11.674  -7.048
    6   2HB   MET   1          2HB       MET   1  -0.534 -11.111  -7.804
    7   1HG   MET   1          1HG       MET   1   0.912  -9.051  -6.259
    8   2HG   MET   1          2HG       MET   1   1.777  -9.645  -7.677
    9   1HE   MET   1          1HE       MET   1  -0.498  -7.126  -6.367
   10   2HE   MET   1          2HE       MET   1  -0.688  -6.222  -7.869
   11   3HE   MET   1          3HE       MET   1   0.920  -6.696  -7.322
   12    H    PHE   2           H        PHE   2  -0.452 -13.517  -5.471
   13    HA   PHE   2           HA       PHE   2  -3.434 -13.781  -5.670
   14   1HB   PHE   2          1HB       PHE   2  -2.965 -15.834  -7.002
   15   2HB   PHE   2          2HB       PHE   2  -2.269 -14.402  -7.759
   16    HD1  PHE   2           HD1      PHE   2  -1.573 -17.580  -6.094
   17    HD2  PHE   2           HD2      PHE   2   0.172 -13.959  -7.610
   18    HE1  PHE   2           HE1      PHE   2   0.672 -18.629  -6.015
   19    HE2  PHE   2           HE2      PHE   2   2.417 -15.008  -7.532
   20    HZ   PHE   2           HZ       PHE   2   2.668 -17.343  -6.734
   21    H    ASN   3           H        ASN   3  -4.251 -14.745  -3.873
   22    HA   ASN   3           HA       ASN   3  -2.507 -16.663  -2.363
   23   1HB   ASN   3          1HB       ASN   3  -4.513 -14.626  -1.334
   24   2HB   ASN   3          2HB       ASN   3  -3.561 -15.716  -0.327
   25   1HD2  ASN   3          1HD2      ASN   3  -1.021 -15.568  -1.186
   26   2HD2  ASN   3          2HD2      ASN   3  -0.443 -13.973  -1.237
   27    H    ASP   4           H        ASP   4  -3.596 -18.498  -1.517
   28    HA   ASP   4           HA       ASP   4  -5.649 -19.716  -2.923
   29   1HB   ASP   4          1HB       ASP   4  -4.099 -20.562  -1.048
   30   2HB   ASP   4          2HB       ASP   4  -5.306 -19.943   0.080
   31    H    ARG   5           H        ARG   5  -6.080 -17.783   0.068
   32    HA   ARG   5           HA       ARG   5  -8.909 -17.994   0.238
   33   1HB   ARG   5          1HB       ARG   5  -6.893 -15.884   1.055
   34   2HB   ARG   5          2HB       ARG   5  -8.590 -15.816   1.535
   35   1HG   ARG   5          1HG       ARG   5  -7.055 -18.353   1.976
   36   2HG   ARG   5          2HG       ARG   5  -6.821 -17.009   3.091
   37   1HD   ARG   5          1HD       ARG   5  -9.171 -16.971   3.657
   38   2HD   ARG   5          2HD       ARG   5  -9.549 -18.124   2.363
   39    HE   ARG   5           HE       ARG   5  -8.733 -19.857   3.754
   40   1HH1  ARG   5          1HH1      ARG   5  -7.638 -16.749   4.877
   41   2HH1  ARG   5          2HH1      ARG   5  -6.922 -17.397   6.311
   42   1HH2  ARG   5          1HH2      ARG   5  -7.797 -20.674   5.623
   43   2HH2  ARG   5          2HH2      ARG   5  -7.010 -19.602   6.732
   44    H    VAL   6           H        VAL   6  -6.887 -15.521  -1.384
   45    HA   VAL   6           HA       VAL   6  -9.095 -14.972  -3.274
   46    HB   VAL   6           HB       VAL   6  -9.032 -12.534  -2.650
   47   1HG1  VAL   6          1HG1      VAL   6 -10.460 -12.751  -0.763
   48   2HG1  VAL   6          2HG1      VAL   6  -9.634 -14.207  -0.207
   49   3HG1  VAL   6          3HG1      VAL   6 -10.650 -14.265  -1.647
   50   1HG2  VAL   6          1HG2      VAL   6  -7.902 -11.843  -0.622
   51   2HG2  VAL   6          2HG2      VAL   6  -6.726 -12.668  -1.646
   52   3HG2  VAL   6          3HG2      VAL   6  -7.434 -13.505  -0.264
   53    H    ILE   7           H        ILE   7  -8.338 -13.842  -5.155
   54    HA   ILE   7           HA       ILE   7  -5.350 -13.601  -5.336
   55    HB   ILE   7           HB       ILE   7  -6.295 -15.445  -6.651
   56   1HG1  ILE   7          1HG1      ILE   7  -5.793 -13.180  -8.589
   57   2HG1  ILE   7          2HG1      ILE   7  -4.497 -13.888  -7.625
   58   1HG2  ILE   7          1HG2      ILE   7  -7.935 -14.823  -8.503
   59   2HG2  ILE   7          2HG2      ILE   7  -8.146 -13.281  -7.672
   60   3HG2  ILE   7          3HG2      ILE   7  -8.585 -14.787  -6.864
   61   1HD1  ILE   7          1HD1      ILE   7  -4.412 -15.152  -9.602
   62   2HD1  ILE   7          2HD1      ILE   7  -6.166 -15.172  -9.776
   63   3HD1  ILE   7          3HD1      ILE   7  -5.391 -16.164  -8.541
   64    H    VAL   8           H        VAL   8  -4.673 -11.939  -7.033
   65    HA   VAL   8           HA       VAL   8  -6.275  -9.483  -6.660
   66    HB   VAL   8           HB       VAL   8  -3.823  -9.508  -6.342
   67   1HG1  VAL   8          1HG1      VAL   8  -3.890 -11.159  -8.627
   68   2HG1  VAL   8          2HG1      VAL   8  -2.457 -10.615  -7.754
   69   3HG1  VAL   8          3HG1      VAL   8  -3.056  -9.689  -9.129
   70   1HG2  VAL   8          1HG2      VAL   8  -4.233  -7.353  -6.975
   71   2HG2  VAL   8          2HG2      VAL   8  -5.173  -7.842  -8.385
   72   3HG2  VAL   8          3HG2      VAL   8  -3.411  -7.826  -8.461
   73    H    LYS   9           H        LYS   9  -7.642  -8.725  -8.188
   74    HA   LYS   9           HA       LYS   9  -7.185  -9.393 -11.041
   75   1HB   LYS   9          1HB       LYS   9  -9.471 -10.165  -9.274
   76   2HB   LYS   9          2HB       LYS   9  -9.792  -9.868 -10.979
   77   1HG   LYS   9          1HG       LYS   9  -7.565 -11.384 -11.198
   78   2HG   LYS   9          2HG       LYS   9  -8.214 -12.027  -9.697
   79   1HD   LYS   9          1HD       LYS   9 -10.180 -12.744 -10.733
   80   2HD   LYS   9          2HD       LYS   9  -9.992 -11.662 -12.093
   81   1HE   LYS   9          1HE       LYS   9  -7.730 -13.172 -12.262
   82   2HE   LYS   9          2HE       LYS   9  -8.883 -14.357 -11.653
   83   1HZ   LYS   9          1HZ       LYS   9 -10.458 -13.433 -13.375
   84   2HZ   LYS   9          2HZ       LYS   9  -9.156 -14.332 -13.991
   85   3HZ   LYS   9          3HZ       LYS   9  -9.124 -12.636 -14.060
   86    H    LYS  10           H        LYS  10  -8.577  -6.125 -11.688
   87    HA   LYS  10           HA       LYS  10  -7.795  -7.027 -13.684
   88   1HB   LYS  10          1HB       LYS  10  -5.987  -7.712 -11.555
   89   2HB   LYS  10          2HB       LYS  10  -6.019  -9.029 -12.728
   90   1HG   LYS  10          1HG       LYS  10  -5.204  -7.703 -14.443
   91   2HG   LYS  10          2HG       LYS  10  -5.879  -6.224 -13.760
   92   1HD   LYS  10          1HD       LYS  10  -3.423  -6.239 -13.545
   93   2HD   LYS  10          2HD       LYS  10  -4.186  -6.293 -11.956
   94   1HE   LYS  10          1HE       LYS  10  -2.533  -7.985 -11.816
   95   2HE   LYS  10          2HE       LYS  10  -3.991  -8.900 -12.243
   96   1HZ   LYS  10          1HZ       LYS  10  -3.399  -8.628 -14.590
   97   2HZ   LYS  10          2HZ       LYS  10  -2.180  -9.455 -13.745
   98   3HZ   LYS  10          3HZ       LYS  10  -1.974  -7.818 -14.147
   99    H    SER  11           H        SER  11 -10.045  -7.912 -13.752
  100    HA   SER  11           HA       SER  11  -9.989 -10.902 -13.844
  101   1HB   SER  11          1HB       SER  11 -11.755 -10.926 -12.381
  102   2HB   SER  11          2HB       SER  11 -11.325  -9.256 -12.038
  103    HG   SER  11           HG       SER  11 -13.304  -8.946 -12.696
  104    HA   PRO  12           HA       PRO  12 -11.834 -10.679 -17.822
  105   1HB   PRO  12          1HB       PRO  12 -14.228 -12.077 -17.606
  106   2HB   PRO  12          2HB       PRO  12 -12.637 -12.840 -17.777
  107   1HG   PRO  12          1HG       PRO  12 -14.304 -12.441 -15.352
  108   2HG   PRO  12          2HG       PRO  12 -13.235 -13.784 -15.779
  109   1HD   PRO  12          1HD       PRO  12 -12.576 -11.853 -13.978
  110   2HD   PRO  12          2HD       PRO  12 -11.377 -12.732 -14.948
  111    H    LEU  13           H        LEU  13 -14.180 -10.028 -15.228
  112    HA   LEU  13           HA       LEU  13 -16.056  -8.547 -16.831
  113   1HB   LEU  13          1HB       LEU  13 -15.545  -9.283 -14.066
  114   2HB   LEU  13          2HB       LEU  13 -16.086  -7.607 -14.163
  115    HG   LEU  13           HG       LEU  13 -18.009  -9.140 -13.956
  116   1HD1  LEU  13          1HD1      LEU  13 -19.184  -7.756 -15.294
  117   2HD1  LEU  13          2HD1      LEU  13 -18.443  -8.439 -16.742
  118   3HD1  LEU  13          3HD1      LEU  13 -17.643  -7.127 -15.876
  119   1HD2  LEU  13          1HD2      LEU  13 -18.069 -11.102 -15.062
  120   2HD2  LEU  13          2HD2      LEU  13 -16.463 -10.738 -15.695
  121   3HD2  LEU  13          3HD2      LEU  13 -17.898 -10.277 -16.612
  122    H    GLY  14           H        GLY  14 -13.100  -7.650 -15.104
  123   1HA   GLY  14          1HA       GLY  14 -11.781  -5.731 -15.845
  124   2HA   GLY  14          2HA       GLY  14 -13.274  -4.963 -16.383
  125    H    GLY  15           H        GLY  15 -10.980  -4.744 -14.060
  126   1HA   GLY  15          1HA       GLY  15 -11.828  -2.786 -12.475
  127   2HA   GLY  15          2HA       GLY  15 -12.840  -4.085 -11.843
  128    H    TYR  16           H        TYR  16 -10.284  -2.481 -10.910
  129    HA   TYR  16           HA       TYR  16  -8.433  -4.722 -10.364
  130   1HB   TYR  16          1HB       TYR  16  -8.483  -1.755 -10.234
  131   2HB   TYR  16          2HB       TYR  16  -7.455  -2.552  -9.045
  132    HD1  TYR  16           HD1      TYR  16  -8.012  -1.913 -12.622
  133    HD2  TYR  16           HD2      TYR  16  -5.554  -3.940  -9.740
  134    HE1  TYR  16           HE1      TYR  16  -6.295  -2.313 -14.367
  135    HE2  TYR  16           HE2      TYR  16  -3.838  -4.340 -11.484
  136    HH   TYR  16           HH       TYR  16  -3.639  -2.725 -14.269
  137    H    GLY  17           H        GLY  17 -10.426  -5.680  -9.075
  138   1HA   GLY  17          1HA       GLY  17 -10.321  -4.640  -6.270
  139   2HA   GLY  17          2HA       GLY  17 -11.700  -5.517  -6.932
  140    H    VAL  18           H        VAL  18 -11.308  -6.990  -5.027
  141    HA   VAL  18           HA       VAL  18  -8.971  -8.820  -5.513
  142    HB   VAL  18           HB       VAL  18  -8.957  -7.914  -3.275
  143   1HG1  VAL  18          1HG1      VAL  18 -11.304  -8.688  -2.025
  144   2HG1  VAL  18          2HG1      VAL  18 -11.848  -8.099  -3.592
  145   3HG1  VAL  18          3HG1      VAL  18 -10.900  -7.052  -2.545
  146   1HG2  VAL  18          1HG2      VAL  18  -8.970 -10.572  -3.712
  147   2HG2  VAL  18          2HG2      VAL  18 -10.365 -10.456  -2.639
  148   3HG2  VAL  18          3HG2      VAL  18  -8.787  -9.875  -2.102
  149    H    PHE  19           H        PHE  19  -9.418 -10.899  -6.196
  150    HA   PHE  19           HA       PHE  19 -12.243 -11.543  -6.768
  151   1HB   PHE  19          1HB       PHE  19  -9.800 -11.914  -8.026
  152   2HB   PHE  19          2HB       PHE  19 -10.184 -13.525  -7.416
  153    HD1  PHE  19           HD1      PHE  19 -11.453 -14.888  -8.812
  154    HD2  PHE  19           HD2      PHE  19 -11.971 -10.629  -9.013
  155    HE1  PHE  19           HE1      PHE  19 -13.112 -15.176 -10.633
  156    HE2  PHE  19           HE2      PHE  19 -13.630 -10.916 -10.833
  157    HZ   PHE  19           HZ       PHE  19 -14.201 -13.190 -11.644
  158    H    ALA  20           H        ALA  20 -13.339 -13.303  -5.840
  159    HA   ALA  20           HA       ALA  20 -12.137 -14.416  -3.358
  160   1HB   ALA  20          1HB       ALA  20 -14.710 -13.542  -4.282
  161   2HB   ALA  20          2HB       ALA  20 -14.266 -14.075  -2.660
  162   3HB   ALA  20          3HB       ALA  20 -14.837 -15.247  -3.848
  163    H    ARG  21           H        ARG  21 -10.726 -16.008  -4.362
  164    HA   ARG  21           HA       ARG  21 -11.578 -17.940  -6.298
  165   1HB   ARG  21          1HB       ARG  21  -9.299 -17.289  -4.673
  166   2HB   ARG  21          2HB       ARG  21  -9.605 -19.019  -4.546
  167   1HG   ARG  21          1HG       ARG  21  -9.310 -19.378  -6.834
  168   2HG   ARG  21          2HG       ARG  21  -9.675 -17.702  -7.243
  169   1HD   ARG  21          1HD       ARG  21  -7.518 -16.996  -6.821
  170   2HD   ARG  21          2HD       ARG  21  -7.279 -18.180  -5.521
  171    HE   ARG  21           HE       ARG  21  -7.640 -19.487  -8.082
  172   1HH1  ARG  21          1HH1      ARG  21  -5.340 -17.777  -6.106
  173   2HH1  ARG  21          2HH1      ARG  21  -3.975 -18.542  -6.841
  174   1HH2  ARG  21          1HH2      ARG  21  -5.852 -20.466  -9.020
  175   2HH2  ARG  21          2HH2      ARG  21  -4.259 -20.052  -8.478
  176    H    LYS  22           H        LYS  22 -12.230 -17.630  -2.908
  177    HA   LYS  22           HA       LYS  22 -12.896 -20.481  -2.535
  178   1HB   LYS  22          1HB       LYS  22 -12.233 -18.167  -0.977
  179   2HB   LYS  22          2HB       LYS  22 -13.796 -18.749  -0.430
  180   1HG   LYS  22          1HG       LYS  22 -12.830 -20.474   0.633
  181   2HG   LYS  22          2HG       LYS  22 -12.060 -21.000  -0.861
  182   1HD   LYS  22          1HD       LYS  22 -10.726 -18.650   0.096
  183   2HD   LYS  22          2HD       LYS  22 -10.841 -19.811   1.415
  184   1HE   LYS  22          1HE       LYS  22  -8.777 -20.175   0.059
  185   2HE   LYS  22          2HE       LYS  22  -9.870 -21.567  -0.052
  186   1HZ   LYS  22          1HZ       LYS  22 -10.605 -20.931  -2.138
  187   2HZ   LYS  22          2HZ       LYS  22  -8.963 -20.505  -2.220
  188   3HZ   LYS  22          3HZ       LYS  22 -10.136 -19.311  -1.939
  189    H    SER  23           H        SER  23 -16.535 -19.990  -2.186
  190    HA   SER  23           HA       SER  23 -14.102 -21.376  -1.175
  191   1HB   SER  23          1HB       SER  23 -16.723 -22.335  -0.302
  192   2HB   SER  23          2HB       SER  23 -16.646 -22.145  -2.053
  193    HG   SER  23           HG       SER  23 -15.810 -24.177  -0.854
  194    H    PHE  24           H        PHE  24 -16.245 -18.899  -0.214
  195    HA   PHE  24           HA       PHE  24 -15.321 -19.188   2.614
  196   1HB   PHE  24          1HB       PHE  24 -16.183 -16.914   0.811
  197   2HB   PHE  24          2HB       PHE  24 -16.072 -16.695   2.557
  198    HD1  PHE  24           HD1      PHE  24 -13.762 -18.260   3.336
  199    HD2  PHE  24           HD2      PHE  24 -14.345 -15.839  -0.163
  200    HE1  PHE  24           HE1      PHE  24 -11.311 -17.941   3.149
  201    HE2  PHE  24           HE2      PHE  24 -11.893 -15.520  -0.352
  202    HZ   PHE  24           HZ       PHE  24 -10.375 -16.571   1.304
  203    H    GLU  25           H        GLU  25 -16.914 -18.501   4.298
  204    HA   GLU  25           HA       GLU  25 -19.678 -19.380   3.572
  205   1HB   GLU  25          1HB       GLU  25 -17.981 -20.253   5.495
  206   2HB   GLU  25          2HB       GLU  25 -18.787 -18.966   6.391
  207   1HG   GLU  25          1HG       GLU  25 -20.901 -20.207   5.132
  208   2HG   GLU  25          2HG       GLU  25 -19.835 -21.565   5.493
  209    H    LYS  26           H        LYS  26 -20.690 -18.128   6.084
  210    HA   LYS  26           HA       LYS  26 -20.864 -15.319   5.069
  211   1HB   LYS  26          1HB       LYS  26 -22.911 -16.766   5.191
  212   2HB   LYS  26          2HB       LYS  26 -22.666 -16.901   6.929
  213   1HG   LYS  26          1HG       LYS  26 -22.955 -14.519   7.210
  214   2HG   LYS  26          2HG       LYS  26 -23.000 -14.268   5.476
  215   1HD   LYS  26          1HD       LYS  26 -24.957 -16.134   5.862
  216   2HD   LYS  26          2HD       LYS  26 -25.102 -15.168   7.321
  217   1HE   LYS  26          1HE       LYS  26 -24.750 -13.273   5.309
  218   2HE   LYS  26          2HE       LYS  26 -25.839 -14.471   4.580
  219   1HZ   LYS  26          1HZ       LYS  26 -27.174 -12.973   5.847
  220   2HZ   LYS  26          2HZ       LYS  26 -26.152 -13.096   7.198
  221   3HZ   LYS  26          3HZ       LYS  26 -27.096 -14.426   6.723
  222    H    GLY  27           H        GLY  27 -18.819 -14.774   6.223
  223   1HA   GLY  27          1HA       GLY  27 -18.557 -13.230   8.227
  224   2HA   GLY  27          2HA       GLY  27 -19.221 -14.557   9.180
  225    H    GLU  28           H        GLU  28 -16.783 -14.572   6.563
  226    HA   GLU  28           HA       GLU  28 -14.841 -15.719   8.545
  227   1HB   GLU  28          1HB       GLU  28 -15.253 -16.495   5.637
  228   2HB   GLU  28          2HB       GLU  28 -14.167 -17.281   6.780
  229   1HG   GLU  28          1HG       GLU  28 -16.485 -17.437   8.171
  230   2HG   GLU  28          2HG       GLU  28 -17.120 -17.487   6.526
  231    H    LEU  29           H        LEU  29 -12.698 -15.039   8.294
  232    HA   LEU  29           HA       LEU  29 -12.241 -12.538   6.871
  233   1HB   LEU  29          1HB       LEU  29 -11.274 -13.651   9.097
  234   2HB   LEU  29          2HB       LEU  29 -10.059 -14.279   7.983
  235    HG   LEU  29           HG       LEU  29  -9.341 -12.127   8.958
  236   1HD1  LEU  29          1HD1      LEU  29  -9.995 -11.275   6.203
  237   2HD1  LEU  29          2HD1      LEU  29  -9.212 -12.851   6.332
  238   3HD1  LEU  29          3HD1      LEU  29  -8.426 -11.418   6.994
  239   1HD2  LEU  29          1HD2      LEU  29 -10.854 -10.502   9.314
  240   2HD2  LEU  29          2HD2      LEU  29 -12.082 -11.467   8.495
  241   3HD2  LEU  29          3HD2      LEU  29 -11.087 -10.342   7.573
  242    H    VAL  30           H        VAL  30 -11.089 -12.263   4.932
  243    HA   VAL  30           HA       VAL  30 -10.288 -14.780   3.516
  244    HB   VAL  30           HB       VAL  30 -11.005 -13.503   1.460
  245   1HG1  VAL  30          1HG1      VAL  30 -13.244 -13.586   3.478
  246   2HG1  VAL  30          2HG1      VAL  30 -12.489 -15.068   2.893
  247   3HG1  VAL  30          3HG1      VAL  30 -13.300 -13.986   1.761
  248   1HG2  VAL  30          1HG2      VAL  30 -11.715 -11.360   1.561
  249   2HG2  VAL  30          2HG2      VAL  30 -10.818 -11.325   3.078
  250   3HG2  VAL  30          3HG2      VAL  30 -12.557 -11.612   3.090
  251    H    GLU  31           H        GLU  31  -9.390 -11.515   4.383
  252    HA   GLU  31           HA       GLU  31  -6.611 -11.996   3.726
  253   1HB   GLU  31          1HB       GLU  31  -8.155 -11.444   1.559
  254   2HB   GLU  31          2HB       GLU  31  -7.731  -9.804   2.050
  255   1HG   GLU  31          1HG       GLU  31  -5.316 -10.548   2.128
  256   2HG   GLU  31          2HG       GLU  31  -5.829 -12.069   1.398
  257    H    GLU  32           H        GLU  32  -5.270 -10.235   4.466
  258    HA   GLU  32           HA       GLU  32  -6.646  -7.907   5.716
  259   1HB   GLU  32          1HB       GLU  32  -5.547 -10.289   6.985
  260   2HB   GLU  32          2HB       GLU  32  -4.771  -8.829   7.596
  261   1HG   GLU  32          1HG       GLU  32  -6.894  -7.886   8.223
  262   2HG   GLU  32          2HG       GLU  32  -7.768  -9.160   7.372
  263    H    CYS  33           H        CYS  33  -5.208  -6.109   6.050
  264    HA   CYS  33           HA       CYS  33  -2.359  -6.439   5.287
  265   1HB   CYS  33          1HB       CYS  33  -2.614  -4.698   3.525
  266   2HB   CYS  33          2HB       CYS  33  -3.608  -6.113   3.181
  267    HG   CYS  33           HG       CYS  33  -4.840  -3.580   3.132
  268    H    LEU  34           H        LEU  34  -1.804  -3.689   4.979
  269    HA   LEU  34           HA       LEU  34  -2.452  -2.656   7.719
  270   1HB   LEU  34          1HB       LEU  34  -0.058  -2.263   5.884
  271   2HB   LEU  34          2HB       LEU  34  -0.233  -1.517   7.473
  272    HG   LEU  34           HG       LEU  34  -0.403  -4.510   7.078
  273   1HD1  LEU  34          1HD1      LEU  34   1.786  -4.094   6.329
  274   2HD1  LEU  34          2HD1      LEU  34   2.012  -4.363   8.057
  275   3HD1  LEU  34          3HD1      LEU  34   1.997  -2.720   7.415
  276   1HD2  LEU  34          1HD2      LEU  34  -1.076  -4.274   9.232
  277   2HD2  LEU  34          2HD2      LEU  34  -0.504  -2.608   9.319
  278   3HD2  LEU  34          3HD2      LEU  34   0.621  -3.942   9.576
  279    H    CYS  35           H        CYS  35  -2.001  -0.102   7.671
  280    HA   CYS  35           HA       CYS  35  -3.011   1.154   5.173
  281   1HB   CYS  35          1HB       CYS  35  -4.388   1.054   7.868
  282   2HB   CYS  35          2HB       CYS  35  -4.775   2.292   6.674
  283    HG   CYS  35           HG       CYS  35  -5.699  -0.590   6.564
  284    H    ILE  36           H        ILE  36  -3.070   3.632   5.515
  285    HA   ILE  36           HA       ILE  36  -0.698   4.403   7.186
  286    HB   ILE  36           HB       ILE  36  -2.055   5.857   4.887
  287   1HG1  ILE  36          1HG1      ILE  36   0.414   4.092   4.874
  288   2HG1  ILE  36          2HG1      ILE  36  -1.147   3.661   4.177
  289   1HG2  ILE  36          1HG2      ILE  36  -0.537   7.070   6.622
  290   2HG2  ILE  36          2HG2      ILE  36  -0.214   7.319   4.906
  291   3HG2  ILE  36          3HG2      ILE  36   0.782   6.200   5.837
  292   1HD1  ILE  36          1HD1      ILE  36  -0.125   6.276   3.291
  293   2HD1  ILE  36          2HD1      ILE  36  -0.814   4.959   2.343
  294   3HD1  ILE  36          3HD1      ILE  36   0.886   4.913   2.810
  295    H    VAL  37           H        VAL  37  -0.928   6.112   8.696
  296    HA   VAL  37           HA       VAL  37  -3.727   7.138   9.053
  297    HB   VAL  37           HB       VAL  37  -1.626   6.503  11.154
  298   1HG1  VAL  37          1HG1      VAL  37  -4.588   6.927  11.558
  299   2HG1  VAL  37          2HG1      VAL  37  -3.453   8.278  11.595
  300   3HG1  VAL  37          3HG1      VAL  37  -3.302   6.966  12.766
  301   1HG2  VAL  37          1HG2      VAL  37  -4.121   4.966  10.381
  302   2HG2  VAL  37          2HG2      VAL  37  -2.980   4.526  11.653
  303   3HG2  VAL  37          3HG2      VAL  37  -2.477   4.486   9.962
  304    H    ARG  38           H        ARG  38  -3.203   9.082   7.876
  305    HA   ARG  38           HA       ARG  38  -1.221  10.877   9.237
  306   1HB   ARG  38          1HB       ARG  38  -1.973  10.256   6.428
  307   2HB   ARG  38          2HB       ARG  38  -1.676  11.961   6.769
  308   1HG   ARG  38          1HG       ARG  38   0.236   9.742   7.545
  309   2HG   ARG  38          2HG       ARG  38   0.373  10.670   6.051
  310   1HD   ARG  38          1HD       ARG  38   0.276  12.760   7.635
  311   2HD   ARG  38          2HD       ARG  38   0.746  11.602   8.893
  312    HE   ARG  38           HE       ARG  38   2.461  11.014   6.805
  313   1HH1  ARG  38          1HH1      ARG  38   1.617  13.924   8.518
  314   2HH1  ARG  38          2HH1      ARG  38   3.170  14.647   8.278
  315   1HH2  ARG  38          1HH2      ARG  38   4.468  11.973   6.506
  316   2HH2  ARG  38          2HH2      ARG  38   4.774  13.553   7.147
  317    H    HIS  39           H        HIS  39  -1.912  13.305   8.711
  318    HA   HIS  39           HA       HIS  39  -4.669  13.619   9.739
  319   1HB   HIS  39          1HB       HIS  39  -2.128  15.058   9.706
  320   2HB   HIS  39          2HB       HIS  39  -3.466  16.120   9.269
  321    HD1  HIS  39           HD1      HIS  39  -3.721  17.371  11.471
  322    HD2  HIS  39           HD2      HIS  39  -3.795  13.232  11.961
  323    HE1  HIS  39           HE1      HIS  39  -4.404  16.946  13.873
  324    H    ASN  40           H        ASN  40  -5.889  15.585   8.651
  325    HA   ASN  40           HA       ASN  40  -6.331  14.889   5.861
  326   1HB   ASN  40          1HB       ASN  40  -7.896  15.772   7.792
  327   2HB   ASN  40          2HB       ASN  40  -7.362  17.358   7.239
  328   1HD2  ASN  40          1HD2      ASN  40  -9.475  14.696   6.528
  329   2HD2  ASN  40          2HD2      ASN  40 -10.061  15.283   5.047
  330    H    ASP  41           H        ASP  41  -6.819  17.980   5.400
  331    HA   ASP  41           HA       ASP  41  -5.640  19.776   4.431
  332   1HB   ASP  41          1HB       ASP  41  -4.219  19.015   6.640
  333   2HB   ASP  41          2HB       ASP  41  -3.008  18.779   5.380
  334    H    ASP  42           H        ASP  42  -2.783  19.458   3.522
  335    HA   ASP  42           HA       ASP  42  -3.088  18.774   0.855
  336   1HB   ASP  42          1HB       ASP  42  -0.616  18.351   0.953
  337   2HB   ASP  42          2HB       ASP  42  -1.089  19.796   1.847
  338    H    TRP  43           H        TRP  43  -2.746  16.558   3.568
  339    HA   TRP  43           HA       TRP  43  -2.140  14.191   2.030
  340   1HB   TRP  43          1HB       TRP  43  -1.719  14.332   4.421
  341   2HB   TRP  43          2HB       TRP  43  -3.408  14.720   4.741
  342    HD1  TRP  43           HD1      TRP  43  -4.971  12.760   5.228
  343    HE1  TRP  43           HE1      TRP  43  -4.817  10.194   5.011
  344    HE3  TRP  43           HE3      TRP  43  -0.484  12.341   2.825
  345    HZ2  TRP  43           HZ2      TRP  43  -3.027   8.231   3.942
  346    HZ3  TRP  43           HZ3      TRP  43   0.406  10.114   2.209
  347    HH2  TRP  43           HH2      TRP  43  -0.846   8.058   2.789
  348    H    GLY  44           H        GLY  44  -5.207  15.398   3.451
  349   1HA   GLY  44          1HA       GLY  44  -6.884  13.380   2.372
  350   2HA   GLY  44          2HA       GLY  44  -7.431  14.993   2.828
  351    H    THR  45           H        THR  45  -5.399  16.146   0.861
  352    HA   THR  45           HA       THR  45  -7.216  16.144  -1.446
  353    HB   THR  45           HB       THR  45  -4.545  17.479  -0.873
  354    HG1  THR  45           HG1      THR  45  -5.895  19.266  -0.455
  355   1HG2  THR  45          1HG2      THR  45  -4.593  18.283  -2.977
  356   2HG2  THR  45          2HG2      THR  45  -6.254  18.837  -2.768
  357   3HG2  THR  45          3HG2      THR  45  -5.936  17.189  -3.317
  358    H    ALA  46           H        ALA  46  -3.652  15.735  -1.298
  359    HA   ALA  46           HA       ALA  46  -3.215  14.619  -3.800
  360   1HB   ALA  46          1HB       ALA  46  -1.488  13.217  -2.168
  361   2HB   ALA  46          2HB       ALA  46  -1.970  14.553  -1.122
  362   3HB   ALA  46          3HB       ALA  46  -1.234  14.882  -2.690
  363    H    LEU  47           H        LEU  47  -3.985  12.764  -0.831
  364    HA   LEU  47           HA       LEU  47  -4.354  10.299  -2.438
  365   1HB   LEU  47          1HB       LEU  47  -4.511  10.929   0.527
  366   2HB   LEU  47          2HB       LEU  47  -4.584   9.309  -0.165
  367    HG   LEU  47           HG       LEU  47  -2.322  10.259  -1.339
  368   1HD1  LEU  47          1HD1      LEU  47  -2.663  11.641   1.298
  369   2HD1  LEU  47          2HD1      LEU  47  -2.167  12.333  -0.246
  370   3HD1  LEU  47          3HD1      LEU  47  -1.063  11.287   0.645
  371   1HD2  LEU  47          1HD2      LEU  47  -2.802   8.762   1.198
  372   2HD2  LEU  47          2HD2      LEU  47  -1.161   9.071   0.631
  373   3HD2  LEU  47          3HD2      LEU  47  -2.283   8.150  -0.372
  374    H    GLU  48           H        GLU  48  -6.308  12.582  -2.708
  375    HA   GLU  48           HA       GLU  48  -8.696  11.941  -1.216
  376   1HB   GLU  48          1HB       GLU  48  -9.732  13.459  -2.932
  377   2HB   GLU  48          2HB       GLU  48  -8.273  14.138  -2.215
  378   1HG   GLU  48          1HG       GLU  48  -7.529  14.425  -4.328
  379   2HG   GLU  48          2HG       GLU  48  -7.317  12.679  -4.384
  380    H    ASP  49           H        ASP  49  -8.218   9.463  -1.842
  381    HA   ASP  49           HA       ASP  49 -10.306   8.734  -3.774
  382   1HB   ASP  49          1HB       ASP  49  -7.734   9.176  -4.706
  383   2HB   ASP  49          2HB       ASP  49  -7.746   7.433  -4.439
  384    H    TYR  50           H        TYR  50  -7.370   7.080  -2.560
  385    HA   TYR  50           HA       TYR  50  -9.106   4.897  -1.512
  386   1HB   TYR  50          1HB       TYR  50  -6.079   5.083  -1.742
  387   2HB   TYR  50          2HB       TYR  50  -7.037   3.617  -1.546
  388    HD1  TYR  50           HD1      TYR  50  -5.058   4.871  -3.856
  389    HD2  TYR  50           HD2      TYR  50  -9.262   4.084  -3.440
  390    HE1  TYR  50           HE1      TYR  50  -5.269   4.686  -6.321
  391    HE2  TYR  50           HE2      TYR  50  -9.471   3.902  -5.903
  392    HH   TYR  50           HH       TYR  50  -7.728   3.269  -7.850
  393    H    LEU  51           H        LEU  51  -8.921   7.487  -0.119
  394    HA   LEU  51           HA       LEU  51  -7.288   6.854   2.288
  395   1HB   LEU  51          1HB       LEU  51  -7.842   9.134   0.745
  396   2HB   LEU  51          2HB       LEU  51  -8.763   9.380   2.228
  397    HG   LEU  51           HG       LEU  51  -6.750   9.023   3.575
  398   1HD1  LEU  51          1HD1      LEU  51  -4.573   9.045   1.976
  399   2HD1  LEU  51          2HD1      LEU  51  -5.685   8.151   0.939
  400   3HD1  LEU  51          3HD1      LEU  51  -5.312   7.551   2.555
  401   1HD2  LEU  51          1HD2      LEU  51  -5.304  10.906   2.339
  402   2HD2  LEU  51          2HD2      LEU  51  -6.835  11.286   3.131
  403   3HD2  LEU  51          3HD2      LEU  51  -6.781  11.052   1.383
  404    H    PHE  52           H        PHE  52  -8.364   5.790   3.901
  405    HA   PHE  52           HA       PHE  52 -11.310   6.007   4.159
  406   1HB   PHE  52          1HB       PHE  52  -9.075   4.373   5.380
  407   2HB   PHE  52          2HB       PHE  52 -10.687   4.357   6.095
  408    HD1  PHE  52           HD1      PHE  52 -12.504   3.197   5.054
  409    HD2  PHE  52           HD2      PHE  52  -8.755   3.638   3.004
  410    HE1  PHE  52           HE1      PHE  52 -13.250   1.568   3.340
  411    HE2  PHE  52           HE2      PHE  52  -9.501   2.009   1.290
  412    HZ   PHE  52           HZ       PHE  52 -11.748   0.974   1.457
  413    H    SER  53           H        SER  53 -11.810   8.006   5.100
  414    HA   SER  53           HA       SER  53 -10.103   9.074   7.250
  415   1HB   SER  53          1HB       SER  53 -11.008  10.452   5.385
  416   2HB   SER  53          2HB       SER  53 -12.644  10.098   5.938
  417    HG   SER  53           HG       SER  53 -12.146  11.118   7.895
  418    H    ARG  54           H        ARG  54 -10.667   9.208   9.389
  419    HA   ARG  54           HA       ARG  54 -13.331   8.088  10.191
  420   1HB   ARG  54          1HB       ARG  54 -10.986   6.873  10.591
  421   2HB   ARG  54          2HB       ARG  54 -10.901   7.990  11.954
  422   1HG   ARG  54          1HG       ARG  54 -12.814   7.084  12.976
  423   2HG   ARG  54          2HG       ARG  54 -13.390   6.362  11.473
  424   1HD   ARG  54          1HD       ARG  54 -12.303   4.435  11.961
  425   2HD   ARG  54          2HD       ARG  54 -10.769   5.312  12.123
  426    HE   ARG  54           HE       ARG  54 -12.101   5.983  14.437
  427   1HH1  ARG  54          1HH1      ARG  54 -11.416   2.954  12.863
  428   2HH1  ARG  54          2HH1      ARG  54 -11.376   2.067  14.347
  429   1HH2  ARG  54          1HH2      ARG  54 -12.044   4.809  16.349
  430   2HH2  ARG  54          2HH2      ARG  54 -11.728   3.107  16.306
  431    H    LYS  55           H        LYS  55 -13.627   8.824  12.691
  432    HA   LYS  55           HA       LYS  55 -13.731  11.726  12.627
  433   1HB   LYS  55          1HB       LYS  55 -14.912   9.497  13.997
  434   2HB   LYS  55          2HB       LYS  55 -14.292  10.611  15.215
  435   1HG   LYS  55          1HG       LYS  55 -16.093  11.387  12.900
  436   2HG   LYS  55          2HG       LYS  55 -16.626  11.159  14.565
  437   1HD   LYS  55          1HD       LYS  55 -14.404  12.894  14.701
  438   2HD   LYS  55          2HD       LYS  55 -15.388  13.478  13.359
  439   1HE   LYS  55          1HE       LYS  55 -17.248  13.886  14.734
  440   2HE   LYS  55          2HE       LYS  55 -16.700  12.742  15.974
  441   1HZ   LYS  55          1HZ       LYS  55 -14.776  14.199  16.361
  442   2HZ   LYS  55          2HZ       LYS  55 -16.240  14.998  16.681
  443   3HZ   LYS  55          3HZ       LYS  55 -15.396  15.316  15.243
  444    H    ASN  56           H        ASN  56 -11.364  12.061  12.486
  445    HA   ASN  56           HA       ASN  56  -9.675  11.381  14.777
  446   1HB   ASN  56          1HB       ASN  56  -9.416  14.014  15.079
  447   2HB   ASN  56          2HB       ASN  56 -11.050  14.023  14.418
  448   1HD2  ASN  56          1HD2      ASN  56  -9.091  12.504  17.031
  449   2HD2  ASN  56          2HD2      ASN  56 -10.393  12.311  18.101
  450    H    MET  57           H        MET  57  -9.717  11.272  11.742
  451    HA   MET  57           HA       MET  57  -7.868  13.220  10.691
  452   1HB   MET  57          1HB       MET  57  -5.811  11.827  10.786
  453   2HB   MET  57          2HB       MET  57  -6.405  12.173  12.406
  454   1HG   MET  57          1HG       MET  57  -7.608   9.759  11.285
  455   2HG   MET  57          2HG       MET  57  -5.850   9.652  11.365
  456   1HE   MET  57          1HE       MET  57  -4.479   9.365  13.449
  457   2HE   MET  57          2HE       MET  57  -4.919  10.109  14.986
  458   3HE   MET  57          3HE       MET  57  -4.768  11.103  13.537
  459    H    SER  58           H        SER  58  -6.386  11.607   8.943
  460    HA   SER  58           HA       SER  58  -8.488  10.067   7.460
  461   1HB   SER  58          1HB       SER  58  -6.319  11.800   6.244
  462   2HB   SER  58          2HB       SER  58  -7.756  11.159   5.448
  463    HG   SER  58           HG       SER  58  -7.522  13.247   7.310
  464    H    ALA  59           H        ALA  59  -7.750   8.121   6.545
  465    HA   ALA  59           HA       ALA  59  -4.825   7.521   6.858
  466   1HB   ALA  59          1HB       ALA  59  -5.661   6.184   8.525
  467   2HB   ALA  59          2HB       ALA  59  -6.086   5.112   7.188
  468   3HB   ALA  59          3HB       ALA  59  -7.294   6.213   7.855
  469    H    MET  60           H        MET  60  -4.322   5.406   5.546
  470    HA   MET  60           HA       MET  60  -5.658   5.617   2.866
  471   1HB   MET  60          1HB       MET  60  -3.239   6.318   3.101
  472   2HB   MET  60          2HB       MET  60  -2.863   4.672   3.611
  473   1HG   MET  60          1HG       MET  60  -2.405   4.970   1.208
  474   2HG   MET  60          2HG       MET  60  -3.703   3.806   1.462
  475   1HE   MET  60          1HE       MET  60  -3.569   5.256  -1.586
  476   2HE   MET  60          2HE       MET  60  -2.387   6.037  -0.535
  477   3HE   MET  60          3HE       MET  60  -3.608   7.006  -1.360
  478    H    ALA  61           H        ALA  61  -5.614   3.472   1.643
  479    HA   ALA  61           HA       ALA  61  -6.558   1.325   3.394
  480   1HB   ALA  61          1HB       ALA  61  -6.268   0.432   0.725
  481   2HB   ALA  61          2HB       ALA  61  -6.636   2.153   0.607
  482   3HB   ALA  61          3HB       ALA  61  -7.734   1.072   1.466
  483    H    LEU  62           H        LEU  62  -3.699   1.876   1.338
  484    HA   LEU  62           HA       LEU  62  -2.120   0.047   2.946
  485   1HB   LEU  62          1HB       LEU  62  -0.927   0.785   0.418
  486   2HB   LEU  62          2HB       LEU  62  -1.770   2.174   1.104
  487    HG   LEU  62           HG       LEU  62  -0.600   1.589   3.314
  488   1HD1  LEU  62          1HD1      LEU  62   0.495  -0.388   3.292
  489   2HD1  LEU  62          2HD1      LEU  62   1.724   0.425   2.324
  490   3HD1  LEU  62          3HD1      LEU  62   0.437  -0.483   1.532
  491   1HD2  LEU  62          1HD2      LEU  62   1.200   2.989   2.782
  492   2HD2  LEU  62          2HD2      LEU  62   0.042   3.379   1.510
  493   3HD2  LEU  62          3HD2      LEU  62   1.391   2.294   1.173
  494    H    GLY  63           H        GLY  63  -2.944  -2.073   2.699
  495   1HA   GLY  63          1HA       GLY  63  -1.943  -3.555   0.460
  496   2HA   GLY  63          2HA       GLY  63  -3.019  -4.193   1.701
  497    H    PHE  64           H        PHE  64  -4.753  -5.070   0.707
  498    HA   PHE  64           HA       PHE  64  -5.727  -4.028  -1.866
  499   1HB   PHE  64          1HB       PHE  64  -6.514  -6.295  -0.003
  500   2HB   PHE  64          2HB       PHE  64  -7.275  -6.020  -1.569
  501    HD1  PHE  64           HD1      PHE  64  -5.983  -6.277  -3.663
  502    HD2  PHE  64           HD2      PHE  64  -4.254  -7.145   0.172
  503    HE1  PHE  64           HE1      PHE  64  -4.126  -7.489  -4.774
  504    HE2  PHE  64           HE2      PHE  64  -2.397  -8.356  -0.939
  505    HZ   PHE  64           HZ       PHE  64  -2.333  -8.528  -3.412
  506    H    GLY  65           H        GLY  65  -6.079  -2.081   0.162
  507   1HA   GLY  65          1HA       GLY  65  -8.899  -2.280   1.035
  508   2HA   GLY  65          2HA       GLY  65  -7.766  -1.005   1.486
  509    H    ALA  66           H        ALA  66  -6.929  -0.716  -1.388
  510    HA   ALA  66           HA       ALA  66  -9.075   1.166  -2.154
  511   1HB   ALA  66          1HB       ALA  66  -6.450   0.563  -3.547
  512   2HB   ALA  66          2HB       ALA  66  -6.533   1.575  -2.105
  513   3HB   ALA  66          3HB       ALA  66  -7.368   2.068  -3.576
  514    H    ILE  67           H        ILE  67  -7.544  -1.798  -3.369
  515    HA   ILE  67           HA       ILE  67  -8.507  -1.993  -5.967
  516    HB   ILE  67           HB       ILE  67  -8.570  -4.479  -5.456
  517   1HG1  ILE  67          1HG1      ILE  67  -7.478  -4.699  -2.969
  518   2HG1  ILE  67          2HG1      ILE  67  -8.613  -3.379  -2.708
  519   1HG2  ILE  67          1HG2      ILE  67  -6.477  -3.354  -6.059
  520   2HG2  ILE  67          2HG2      ILE  67  -6.187  -4.610  -4.852
  521   3HG2  ILE  67          3HG2      ILE  67  -6.219  -2.914  -4.369
  522   1HD1  ILE  67          1HD1      ILE  67  -9.759  -5.536  -4.311
  523   2HD1  ILE  67          2HD1      ILE  67 -10.398  -4.752  -2.866
  524   3HD1  ILE  67          3HD1      ILE  67  -9.244  -6.076  -2.713
  525    H    PHE  68           H        PHE  68 -10.349  -2.568  -2.974
  526    HA   PHE  68           HA       PHE  68 -12.662  -3.794  -3.882
  527   1HB   PHE  68          1HB       PHE  68 -12.243  -1.493  -1.950
  528   2HB   PHE  68          2HB       PHE  68 -13.765  -2.371  -2.077
  529    HD1  PHE  68           HD1      PHE  68 -11.107  -2.139  -0.020
  530    HD2  PHE  68           HD2      PHE  68 -13.081  -5.128  -2.388
  531    HE1  PHE  68           HE1      PHE  68 -10.217  -3.910   1.471
  532    HE2  PHE  68           HE2      PHE  68 -12.193  -6.900  -0.898
  533    HZ   PHE  68           HZ       PHE  68 -10.762  -6.289   1.031
  534    H    ASN  69           H        ASN  69 -14.230  -3.271  -5.352
  535    HA   ASN  69           HA       ASN  69 -14.276  -0.476  -6.421
  536   1HB   ASN  69          1HB       ASN  69 -15.141  -3.174  -7.525
  537   2HB   ASN  69          2HB       ASN  69 -15.347  -1.648  -8.385
  538   1HD2  ASN  69          1HD2      ASN  69 -13.181  -4.235  -7.896
  539   2HD2  ASN  69          2HD2      ASN  69 -11.784  -3.497  -8.522
  540    H    HIS  70           H        HIS  70 -16.655  -0.142  -7.463
  541    HA   HIS  70           HA       HIS  70 -18.535  -0.331  -5.174
  542   1HB   HIS  70          1HB       HIS  70 -18.041   1.793  -6.444
  543   2HB   HIS  70          2HB       HIS  70 -18.758   1.051  -7.874
  544    HD1  HIS  70           HD1      HIS  70 -19.665   2.224  -4.392
  545    HD2  HIS  70           HD2      HIS  70 -21.568   1.026  -7.903
  546    HE1  HIS  70           HE1      HIS  70 -22.128   2.725  -4.079
  547    H    SER  71           H        SER  71 -20.064  -1.935  -5.150
  548    HA   SER  71           HA       SER  71 -21.140  -2.941  -7.741
  549   1HB   SER  71          1HB       SER  71 -20.130  -4.746  -5.519
  550   2HB   SER  71          2HB       SER  71 -20.584  -5.214  -7.158
  551    HG   SER  71           HG       SER  71 -18.385  -3.613  -6.368
  552    H    LYS  72           H        LYS  72 -23.193  -4.072  -7.465
  553    HA   LYS  72           HA       LYS  72 -24.711  -3.119  -5.107
  554   1HB   LYS  72          1HB       LYS  72 -25.528  -4.529  -7.661
  555   2HB   LYS  72          2HB       LYS  72 -26.625  -3.831  -6.483
  556   1HG   LYS  72          1HG       LYS  72 -24.922  -1.735  -6.955
  557   2HG   LYS  72          2HG       LYS  72 -24.977  -2.509  -8.541
  558   1HD   LYS  72          1HD       LYS  72 -27.008  -1.606  -8.885
  559   2HD   LYS  72          2HD       LYS  72 -27.607  -2.530  -7.505
  560   1HE   LYS  72          1HE       LYS  72 -27.981  -0.500  -6.521
  561   2HE   LYS  72          2HE       LYS  72 -26.220  -0.408  -6.327
  562   1HZ   LYS  72          1HZ       LYS  72 -27.311   1.462  -7.629
  563   2HZ   LYS  72          2HZ       LYS  72 -27.580   0.323  -8.859
  564   3HZ   LYS  72          3HZ       LYS  72 -25.994   0.694  -8.377
  565    H    ASP  73           H        ASP  73 -22.725  -5.448  -5.015
  566    HA   ASP  73           HA       ASP  73 -24.476  -7.286  -3.520
  567   1HB   ASP  73          1HB       ASP  73 -24.259  -7.745  -6.160
  568   2HB   ASP  73          2HB       ASP  73 -22.773  -8.538  -5.639
  569    HA   PRO  74           HA       PRO  74 -20.045  -6.629  -2.096
  570   1HB   PRO  74          1HB       PRO  74 -20.857  -6.247   0.557
  571   2HB   PRO  74          2HB       PRO  74 -20.483  -4.949  -0.590
  572   1HG   PRO  74          1HG       PRO  74 -23.111  -6.034   0.261
  573   2HG   PRO  74          2HG       PRO  74 -22.658  -4.381  -0.172
  574   1HD   PRO  74          1HD       PRO  74 -24.064  -6.003  -1.823
  575   2HD   PRO  74          2HD       PRO  74 -22.952  -4.754  -2.420
  576    H    ASN  75           H        ASN  75 -19.306  -8.727  -2.075
  577    HA   ASN  75           HA       ASN  75 -20.748 -10.820  -0.576
  578   1HB   ASN  75          1HB       ASN  75 -18.434 -10.652  -2.510
  579   2HB   ASN  75          2HB       ASN  75 -18.749 -12.144  -1.625
  580   1HD2  ASN  75          1HD2      ASN  75 -19.773 -13.504  -3.120
  581   2HD2  ASN  75          2HD2      ASN  75 -21.109 -13.059  -4.069
  582    H    ALA  76           H        ALA  76 -18.039  -8.686  -0.156
  583    HA   ALA  76           HA       ALA  76 -17.488  -9.926   2.476
  584   1HB   ALA  76          1HB       ALA  76 -15.138  -9.339   0.725
  585   2HB   ALA  76          2HB       ALA  76 -16.080 -10.782   0.351
  586   3HB   ALA  76          3HB       ALA  76 -15.336 -10.602   1.940
  587    H    ARG  77           H        ARG  77 -17.396  -8.258   3.900
  588    HA   ARG  77           HA       ARG  77 -16.789  -5.519   2.924
  589   1HB   ARG  77          1HB       ARG  77 -18.294  -6.835   5.068
  590   2HB   ARG  77          2HB       ARG  77 -17.336  -5.485   5.666
  591   1HG   ARG  77          1HG       ARG  77 -18.305  -4.077   3.814
  592   2HG   ARG  77          2HG       ARG  77 -19.379  -5.422   3.428
  593   1HD   ARG  77          1HD       ARG  77 -20.374  -5.326   5.660
  594   2HD   ARG  77          2HD       ARG  77 -19.224  -4.066   6.147
  595    HE   ARG  77           HE       ARG  77 -20.404  -3.101   3.806
  596   1HH1  ARG  77          1HH1      ARG  77 -21.512  -4.162   6.931
  597   2HH1  ARG  77          2HH1      ARG  77 -22.890  -3.118   6.919
  598   1HH2  ARG  77          1HH2      ARG  77 -22.201  -1.754   3.815
  599   2HH2  ARG  77          2HH2      ARG  77 -23.279  -1.765   5.170
  600    H    HIS  78           H        HIS  78 -15.616  -4.318   5.040
  601    HA   HIS  78           HA       HIS  78 -13.164  -5.935   5.641
  602   1HB   HIS  78          1HB       HIS  78 -11.881  -3.857   5.201
  603   2HB   HIS  78          2HB       HIS  78 -12.815  -4.330   3.782
  604    HD1  HIS  78           HD1      HIS  78 -14.917  -2.892   3.196
  605    HD2  HIS  78           HD2      HIS  78 -12.734  -1.452   6.442
  606    HE1  HIS  78           HE1      HIS  78 -15.765  -0.548   3.646
  607    H    GLU  79           H        GLU  79 -12.176  -5.440   7.672
  608    HA   GLU  79           HA       GLU  79 -13.896  -3.796   9.508
  609   1HB   GLU  79          1HB       GLU  79 -13.883  -6.252   9.914
  610   2HB   GLU  79          2HB       GLU  79 -12.128  -6.208  10.062
  611   1HG   GLU  79          1HG       GLU  79 -12.659  -6.000  12.292
  612   2HG   GLU  79          2HG       GLU  79 -12.732  -4.294  11.847
  613    H    LEU  80           H        LEU  80 -12.828  -2.263  10.795
  614    HA   LEU  80           HA       LEU  80  -9.894  -1.966  10.294
  615   1HB   LEU  80          1HB       LEU  80 -11.269  -0.190   9.355
  616   2HB   LEU  80          2HB       LEU  80 -12.138  -0.001  10.878
  617    HG   LEU  80           HG       LEU  80 -10.060   0.702  11.980
  618   1HD1  LEU  80          1HD1      LEU  80  -8.069   0.183  11.060
  619   2HD1  LEU  80          2HD1      LEU  80  -8.424   1.254   9.705
  620   3HD1  LEU  80          3HD1      LEU  80  -8.890  -0.444   9.631
  621   1HD2  LEU  80          1HD2      LEU  80 -11.529   2.386  10.871
  622   2HD2  LEU  80          2HD2      LEU  80 -10.554   2.235   9.408
  623   3HD2  LEU  80          3HD2      LEU  80  -9.837   2.882  10.884
  624    H    THR  81           H        THR  81  -8.579  -2.082  12.081
  625    HA   THR  81           HA       THR  81  -9.448  -2.944  14.624
  626    HB   THR  81           HB       THR  81  -7.135  -2.022  15.283
  627    HG1  THR  81           HG1      THR  81  -5.921  -1.319  13.453
  628   1HG2  THR  81          1HG2      THR  81  -6.607  -3.516  12.817
  629   2HG2  THR  81          2HG2      THR  81  -7.894  -4.230  13.788
  630   3HG2  THR  81          3HG2      THR  81  -6.297  -3.972  14.492
  631    H    ALA  82           H        ALA  82  -8.740  -1.454  16.659
  632    HA   ALA  82           HA       ALA  82 -10.717   0.499  17.063
  633   1HB   ALA  82          1HB       ALA  82  -8.343  -0.549  18.336
  634   2HB   ALA  82          2HB       ALA  82  -9.757   0.184  19.093
  635   3HB   ALA  82          3HB       ALA  82  -8.410   1.198  18.575
  636    H    GLY  83           H        GLY  83  -7.667   0.776  15.380
  637   1HA   GLY  83          1HA       GLY  83  -8.214   3.692  14.997
  638   2HA   GLY  83          2HA       GLY  83  -6.574   3.073  15.189
  639    H    LEU  84           H        LEU  84  -6.286   4.132  13.017
  640    HA   LEU  84           HA       LEU  84  -7.455   2.566  10.758
  641   1HB   LEU  84          1HB       LEU  84  -5.962   5.208  10.960
  642   2HB   LEU  84          2HB       LEU  84  -6.571   4.528   9.452
  643    HG   LEU  84           HG       LEU  84  -8.485   4.781  11.729
  644   1HD1  LEU  84          1HD1      LEU  84  -8.311   7.169  10.010
  645   2HD1  LEU  84          2HD1      LEU  84  -6.945   6.969  11.108
  646   3HD1  LEU  84          3HD1      LEU  84  -8.587   7.052  11.748
  647   1HD2  LEU  84          1HD2      LEU  84 -10.056   4.719  10.050
  648   2HD2  LEU  84          2HD2      LEU  84  -8.740   3.917   9.194
  649   3HD2  LEU  84          3HD2      LEU  84  -9.047   5.634   8.930
  650    H    LYS  85           H        LYS  85  -5.419   1.293  12.322
  651    HA   LYS  85           HA       LYS  85  -2.890   1.645  10.853
  652   1HB   LYS  85          1HB       LYS  85  -3.865   0.571  13.366
  653   2HB   LYS  85          2HB       LYS  85  -2.616  -0.435  12.646
  654   1HG   LYS  85          1HG       LYS  85  -1.156   1.547  12.440
  655   2HG   LYS  85          2HG       LYS  85  -2.420   2.555  13.144
  656   1HD   LYS  85          1HD       LYS  85  -2.167   0.476  14.970
  657   2HD   LYS  85          2HD       LYS  85  -0.504   0.784  14.469
  658   1HE   LYS  85          1HE       LYS  85  -1.863   3.305  14.857
  659   2HE   LYS  85          2HE       LYS  85  -2.030   2.301  16.311
  660   1HZ   LYS  85          1HZ       LYS  85   0.365   1.814  16.152
  661   2HZ   LYS  85          2HZ       LYS  85   0.070   3.472  16.375
  662   3HZ   LYS  85          3HZ       LYS  85   0.492   2.884  14.839
  663    H    ARG  86           H        ARG  86  -4.732  -1.275  11.806
  664    HA   ARG  86           HA       ARG  86  -3.780  -2.579   9.293
  665   1HB   ARG  86          1HB       ARG  86  -4.441  -3.364  12.085
  666   2HB   ARG  86          2HB       ARG  86  -4.864  -4.543  10.844
  667   1HG   ARG  86          1HG       ARG  86  -2.681  -4.996  10.352
  668   2HG   ARG  86          2HG       ARG  86  -2.185  -3.315  10.554
  669   1HD   ARG  86          1HD       ARG  86  -1.509  -3.704  12.687
  670   2HD   ARG  86          2HD       ARG  86  -3.042  -4.503  13.087
  671    HE   ARG  86           HE       ARG  86  -0.595  -5.836  12.200
  672   1HH1  ARG  86          1HH1      ARG  86  -4.073  -5.963  12.293
  673   2HH1  ARG  86          2HH1      ARG  86  -4.124  -7.685  12.135
  674   1HH2  ARG  86          1HH2      ARG  86  -0.688  -8.072  11.995
  675   2HH2  ARG  86          2HH2      ARG  86  -2.224  -8.871  11.968
  676    H    MET  87           H        MET  87  -5.274  -3.598   7.894
  677    HA   MET  87           HA       MET  87  -8.155  -2.905   8.364
  678   1HB   MET  87          1HB       MET  87  -6.304  -2.474   6.200
  679   2HB   MET  87          2HB       MET  87  -7.597  -3.532   5.635
  680   1HG   MET  87          1HG       MET  87  -9.189  -1.836   6.797
  681   2HG   MET  87          2HG       MET  87  -7.806  -0.744   6.764
  682   1HE   MET  87          1HE       MET  87 -10.469  -2.729   4.482
  683   2HE   MET  87          2HE       MET  87 -10.862  -1.171   3.753
  684   3HE   MET  87          3HE       MET  87 -10.800  -1.332   5.509
  685    H    ARG  88           H        ARG  88  -9.717  -4.527   7.645
  686    HA   ARG  88           HA       ARG  88  -8.572  -7.294   7.427
  687   1HB   ARG  88          1HB       ARG  88 -10.265  -6.021   9.397
  688   2HB   ARG  88          2HB       ARG  88 -11.141  -7.343   8.623
  689   1HG   ARG  88          1HG       ARG  88  -9.313  -8.890   9.129
  690   2HG   ARG  88          2HG       ARG  88  -8.363  -7.575   9.821
  691   1HD   ARG  88          1HD       ARG  88  -9.644  -7.491  11.751
  692   2HD   ARG  88          2HD       ARG  88 -11.118  -8.021  10.915
  693    HE   ARG  88           HE       ARG  88 -10.437 -10.268  11.261
  694   1HH1  ARG  88          1HH1      ARG  88  -7.788  -8.069  11.777
  695   2HH1  ARG  88          2HH1      ARG  88  -6.734  -9.306  12.368
  696   1HH2  ARG  88          1HH2      ARG  88  -9.049 -11.855  12.031
  697   2HH2  ARG  88          2HH2      ARG  88  -7.439 -11.433  12.512
  698    H    ILE  89           H        ILE  89 -10.311  -8.853   6.594
  699    HA   ILE  89           HA       ILE  89 -12.272  -7.572   4.752
  700    HB   ILE  89           HB       ILE  89 -10.180  -9.623   3.931
  701   1HG1  ILE  89          1HG1      ILE  89 -10.285  -6.611   3.561
  702   2HG1  ILE  89          2HG1      ILE  89  -9.059  -7.531   4.425
  703   1HG2  ILE  89          1HG2      ILE  89 -11.719  -7.897   2.030
  704   2HG2  ILE  89          2HG2      ILE  89 -12.550  -9.269   2.764
  705   3HG2  ILE  89          3HG2      ILE  89 -11.094  -9.533   1.804
  706   1HD1  ILE  89          1HD1      ILE  89  -9.019  -6.810   1.695
  707   2HD1  ILE  89          2HD1      ILE  89  -9.310  -8.548   1.729
  708   3HD1  ILE  89          3HD1      ILE  89  -7.893  -7.876   2.535
  709    H    PHE  90           H        PHE  90 -13.928  -8.518   6.064
  710    HA   PHE  90           HA       PHE  90 -13.925 -11.477   6.393
  711   1HB   PHE  90          1HB       PHE  90 -15.103  -9.079   7.668
  712   2HB   PHE  90          2HB       PHE  90 -16.180 -10.472   7.608
  713    HD1  PHE  90           HD1      PHE  90 -15.076 -12.771   8.310
  714    HD2  PHE  90           HD2      PHE  90 -13.577  -8.902   9.418
  715    HE1  PHE  90           HE1      PHE  90 -13.851 -13.790  10.211
  716    HE2  PHE  90           HE2      PHE  90 -12.354  -9.920  11.321
  717    HZ   PHE  90           HZ       PHE  90 -12.491 -12.364  11.717
  718    H    THR  91           H        THR  91 -15.667 -12.756   5.572
  719    HA   THR  91           HA       THR  91 -17.017 -11.637   3.194
  720    HB   THR  91           HB       THR  91 -17.807 -14.137   3.175
  721    HG1  THR  91           HG1      THR  91 -15.576 -14.532   4.819
  722   1HG2  THR  91          1HG2      THR  91 -15.007 -13.098   2.804
  723   2HG2  THR  91          2HG2      THR  91 -16.192 -13.554   1.580
  724   3HG2  THR  91          3HG2      THR  91 -15.365 -14.801   2.514
  725    H    ILE  92           H        ILE  92 -18.947 -10.577   3.556
  726    HA   ILE  92           HA       ILE  92 -20.540 -11.031   5.948
  727    HB   ILE  92           HB       ILE  92 -21.995  -9.339   4.884
  728   1HG1  ILE  92          1HG1      ILE  92 -20.177  -9.305   2.492
  729   2HG1  ILE  92          2HG1      ILE  92 -21.533 -10.431   2.537
  730   1HG2  ILE  92          1HG2      ILE  92 -20.299  -8.154   5.880
  731   2HG2  ILE  92          2HG2      ILE  92 -19.938  -7.739   4.204
  732   3HG2  ILE  92          3HG2      ILE  92 -19.038  -9.025   5.008
  733   1HD1  ILE  92          1HD1      ILE  92 -22.866  -8.741   1.869
  734   2HD1  ILE  92          2HD1      ILE  92 -21.555  -7.576   2.048
  735   3HD1  ILE  92          3HD1      ILE  92 -22.575  -7.974   3.430
  736    H    LYS  93           H        LYS  93 -20.368 -12.581   2.883
  737    HA   LYS  93           HA       LYS  93 -22.800 -14.149   3.546
  738   1HB   LYS  93          1HB       LYS  93 -23.643 -13.781   1.227
  739   2HB   LYS  93          2HB       LYS  93 -23.532 -12.268   2.126
  740   1HG   LYS  93          1HG       LYS  93 -21.558 -11.613   0.994
  741   2HG   LYS  93          2HG       LYS  93 -21.261 -13.244   0.394
  742   1HD   LYS  93          1HD       LYS  93 -22.135 -11.937  -1.443
  743   2HD   LYS  93          2HD       LYS  93 -23.401 -13.053  -0.933
  744   1HE   LYS  93          1HE       LYS  93 -24.757 -11.356  -0.206
  745   2HE   LYS  93          2HE       LYS  93 -23.398 -10.438   0.471
  746   1HZ   LYS  93          1HZ       LYS  93 -22.750  -9.743  -1.694
  747   2HZ   LYS  93          2HZ       LYS  93 -24.418  -9.445  -1.578
  748   3HZ   LYS  93          3HZ       LYS  93 -23.854 -10.793  -2.445
  749    HA   PRO  94           HA       PRO  94 -20.382 -17.523   2.134
  750   1HB   PRO  94          1HB       PRO  94 -22.724 -18.535   0.608
  751   2HB   PRO  94          2HB       PRO  94 -21.835 -19.301   1.937
  752   1HG   PRO  94          1HG       PRO  94 -24.298 -18.275   2.253
  753   2HG   PRO  94          2HG       PRO  94 -23.089 -18.262   3.545
  754   1HD   PRO  94          1HD       PRO  94 -24.027 -16.036   1.806
  755   2HD   PRO  94          2HD       PRO  94 -23.499 -16.005   3.501
  756    H    ILE  95           H        ILE  95 -18.912 -17.424   0.481
  757    HA   ILE  95           HA       ILE  95 -19.855 -16.456  -2.194
  758    HB   ILE  95           HB       ILE  95 -17.125 -16.436  -0.852
  759   1HG1  ILE  95          1HG1      ILE  95 -19.097 -14.205  -1.436
  760   2HG1  ILE  95          2HG1      ILE  95 -18.740 -14.868   0.158
  761   1HG2  ILE  95          1HG2      ILE  95 -16.372 -16.220  -2.977
  762   2HG2  ILE  95          2HG2      ILE  95 -17.121 -14.624  -2.957
  763   3HG2  ILE  95          3HG2      ILE  95 -18.002 -16.003  -3.615
  764   1HD1  ILE  95          1HD1      ILE  95 -17.411 -12.881  -0.065
  765   2HD1  ILE  95          2HD1      ILE  95 -16.865 -13.353  -1.674
  766   3HD1  ILE  95          3HD1      ILE  95 -16.309 -14.243  -0.258
  767    H    ALA  96           H        ALA  96 -19.279 -17.664  -4.039
  768    HA   ALA  96           HA       ALA  96 -18.339 -20.444  -3.501
  769   1HB   ALA  96          1HB       ALA  96 -19.259 -20.709  -5.886
  770   2HB   ALA  96          2HB       ALA  96 -19.816 -19.042  -5.749
  771   3HB   ALA  96          3HB       ALA  96 -20.443 -20.274  -4.653
  772    H    ILE  97           H        ILE  97 -16.712 -21.372  -4.925
  773    HA   ILE  97           HA       ILE  97 -14.422 -19.747  -5.371
  774    HB   ILE  97           HB       ILE  97 -15.239 -22.359  -6.703
  775   1HG1  ILE  97          1HG1      ILE  97 -13.507 -22.778  -4.498
  776   2HG1  ILE  97          2HG1      ILE  97 -14.782 -21.702  -3.937
  777   1HG2  ILE  97          1HG2      ILE  97 -12.446 -21.921  -5.909
  778   2HG2  ILE  97          2HG2      ILE  97 -13.007 -20.794  -7.143
  779   3HG2  ILE  97          3HG2      ILE  97 -13.097 -22.532  -7.430
  780   1HD1  ILE  97          1HD1      ILE  97 -15.085 -24.367  -3.960
  781   2HD1  ILE  97          2HD1      ILE  97 -15.602 -24.029  -5.612
  782   3HD1  ILE  97          3HD1      ILE  97 -16.437 -23.274  -4.255
  783    H    GLY  98           H        GLY  98 -14.399 -18.068  -6.820
  784   1HA   GLY  98          1HA       GLY  98 -14.107 -17.595  -9.261
  785   2HA   GLY  98          2HA       GLY  98 -15.543 -18.581  -9.537
  786    H    GLU  99           H        GLU  99 -15.234 -16.304  -6.867
  787    HA   GLU  99           HA       GLU  99 -17.409 -14.664  -8.128
  788   1HB   GLU  99          1HB       GLU  99 -16.817 -15.732  -5.411
  789   2HB   GLU  99          2HB       GLU  99 -17.507 -14.110  -5.466
  790   1HG   GLU  99          1HG       GLU  99 -18.681 -16.522  -6.880
  791   2HG   GLU  99          2HG       GLU  99 -19.247 -15.903  -5.330
  792    H    GLU 100           H        GLU 100 -17.359 -12.317  -7.267
  793    HA   GLU 100           HA       GLU 100 -14.517 -11.365  -7.224
  794   1HB   GLU 100          1HB       GLU 100 -16.350 -10.812  -9.062
  795   2HB   GLU 100          2HB       GLU 100 -16.911  -9.652  -7.858
  796   1HG   GLU 100          1HG       GLU 100 -14.062  -9.455  -8.015
  797   2HG   GLU 100          2HG       GLU 100 -14.701  -9.401  -9.657
  798    H    ILE 101           H        ILE 101 -13.874 -10.034  -5.529
  799    HA   ILE 101           HA       ILE 101 -15.892  -9.606  -3.367
  800    HB   ILE 101           HB       ILE 101 -12.861  -9.668  -3.254
  801   1HG1  ILE 101          1HG1      ILE 101 -14.895 -11.820  -2.618
  802   2HG1  ILE 101          2HG1      ILE 101 -13.769 -11.831  -3.967
  803   1HG2  ILE 101          1HG2      ILE 101 -13.048  -9.271  -1.032
  804   2HG2  ILE 101          2HG2      ILE 101 -14.460 -10.316  -0.883
  805   3HG2  ILE 101          3HG2      ILE 101 -14.650  -8.651  -1.432
  806   1HD1  ILE 101          1HD1      ILE 101 -13.289 -12.859  -1.411
  807   2HD1  ILE 101          2HD1      ILE 101 -12.390 -11.341  -1.456
  808   3HD1  ILE 101          3HD1      ILE 101 -12.085 -12.585  -2.669
  809    H    THR 102           H        THR 102 -16.567  -7.570  -3.101
  810    HA   THR 102           HA       THR 102 -14.700  -5.286  -3.420
  811    HB   THR 102           HB       THR 102 -16.384  -4.183  -4.925
  812    HG1  THR 102           HG1      THR 102 -18.061  -5.416  -5.706
  813   1HG2  THR 102          1HG2      THR 102 -15.769  -5.389  -6.912
  814   2HG2  THR 102          2HG2      THR 102 -15.536  -6.883  -6.003
  815   3HG2  THR 102          3HG2      THR 102 -14.418  -5.536  -5.787
  816    H    ILE 103           H        ILE 103 -15.309  -3.553  -2.042
  817    HA   ILE 103           HA       ILE 103 -17.723  -4.074  -0.342
  818    HB   ILE 103           HB       ILE 103 -16.472  -2.855   1.385
  819   1HG1  ILE 103          1HG1      ILE 103 -13.923  -2.600   0.078
  820   2HG1  ILE 103          2HG1      ILE 103 -15.142  -1.743  -0.865
  821   1HG2  ILE 103          1HG2      ILE 103 -15.697  -5.305   0.222
  822   2HG2  ILE 103          2HG2      ILE 103 -15.344  -4.746   1.857
  823   3HG2  ILE 103          3HG2      ILE 103 -14.197  -4.438   0.554
  824   1HD1  ILE 103          1HD1      ILE 103 -14.062  -1.132   1.808
  825   2HD1  ILE 103          2HD1      ILE 103 -15.820  -1.036   1.701
  826   3HD1  ILE 103          3HD1      ILE 103 -14.817  -0.061   0.628
  827    H    SER 104           H        SER 104 -18.696  -1.976   0.559
  828    HA   SER 104           HA       SER 104 -19.069  -0.072  -1.693
  829   1HB   SER 104          1HB       SER 104 -20.723  -1.340   0.149
  830   2HB   SER 104          2HB       SER 104 -20.604   0.299   0.789
  831    HG   SER 104           HG       SER 104 -22.263   0.269  -0.679
  832    H    TYR 105           H        TYR 105 -19.754   2.242  -0.418
  833    HA   TYR 105           HA       TYR 105 -17.293   2.973   1.145
  834   1HB   TYR 105          1HB       TYR 105 -18.868   4.743  -0.757
  835   2HB   TYR 105          2HB       TYR 105 -17.269   5.051  -0.086
  836    HD1  TYR 105           HD1      TYR 105 -15.856   2.529  -0.442
  837    HD2  TYR 105           HD2      TYR 105 -18.624   4.500  -3.071
  838    HE1  TYR 105           HE1      TYR 105 -14.824   1.387  -2.387
  839    HE2  TYR 105           HE2      TYR 105 -17.591   3.358  -5.014
  840    HH   TYR 105           HH       TYR 105 -14.627   1.855  -4.896
  841    H    GLY 106           H        GLY 106 -20.493   4.384   0.334
  842   1HA   GLY 106          1HA       GLY 106 -22.171   5.224   1.747
  843   2HA   GLY 106          2HA       GLY 106 -21.405   4.349   3.072
  844    H    ASP 107           H        ASP 107 -22.099   6.479   4.155
  845    HA   ASP 107           HA       ASP 107 -21.385   8.428   5.268
  846   1HB   ASP 107          1HB       ASP 107 -19.213   6.923   5.075
  847   2HB   ASP 107          2HB       ASP 107 -18.707   8.161   3.928
  848    H    ASP 108           H        ASP 108 -19.501   8.565   2.212
  849    HA   ASP 108           HA       ASP 108 -21.142  10.908   1.380
  850   1HB   ASP 108          1HB       ASP 108 -18.499  10.903   2.534
  851   2HB   ASP 108          2HB       ASP 108 -18.384  11.449   0.865
  852    H    TYR 109           H        TYR 109 -18.575   8.582   0.529
  853    HA   TYR 109           HA       TYR 109 -18.216   9.039  -2.178
  854   1HB   TYR 109          1HB       TYR 109 -18.111   6.781  -0.297
  855   2HB   TYR 109          2HB       TYR 109 -18.346   6.276  -1.970
  856    HD1  TYR 109           HD1      TYR 109 -16.727   7.032  -3.738
  857    HD2  TYR 109           HD2      TYR 109 -16.027   7.688   0.449
  858    HE1  TYR 109           HE1      TYR 109 -14.329   7.461  -4.206
  859    HE2  TYR 109           HE2      TYR 109 -13.629   8.116  -0.020
  860    HH   TYR 109           HH       TYR 109 -11.991   7.843  -1.612
  861    H    TRP 110           H        TRP 110 -19.884   9.542  -3.558
  862    HA   TRP 110           HA       TRP 110 -21.855   9.294  -4.817
  863   1HB   TRP 110          1HB       TRP 110 -21.059   6.441  -4.151
  864   2HB   TRP 110          2HB       TRP 110 -22.284   6.851  -5.352
  865    HD1  TRP 110           HD1      TRP 110 -18.680   8.080  -4.603
  866    HE1  TRP 110           HE1      TRP 110 -17.419   8.255  -6.845
  867    HE3  TRP 110           HE3      TRP 110 -22.363   6.580  -7.806
  868    HZ2  TRP 110           HZ2      TRP 110 -17.908   7.817  -9.629
  869    HZ3  TRP 110           HZ3      TRP 110 -21.938   6.467 -10.244
  870    HH2  TRP 110           HH2      TRP 110 -19.719   7.084 -11.159
  871    H    LEU 111           H        LEU 111 -22.787   6.361  -3.129
  872    HA   LEU 111           HA       LEU 111 -25.187   7.770  -2.130
  873   1HB   LEU 111          1HB       LEU 111 -24.356   5.087  -2.958
  874   2HB   LEU 111          2HB       LEU 111 -25.299   5.056  -1.467
  875    HG   LEU 111           HG       LEU 111 -26.352   6.864  -3.552
  876   1HD1  LEU 111          1HD1      LEU 111 -25.487   4.306  -4.365
  877   2HD1  LEU 111          2HD1      LEU 111 -26.566   5.391  -5.243
  878   3HD1  LEU 111          3HD1      LEU 111 -27.233   4.174  -4.155
  879   1HD2  LEU 111          1HD2      LEU 111 -27.353   4.894  -1.524
  880   2HD2  LEU 111          2HD2      LEU 111 -28.418   5.373  -2.846
  881   3HD2  LEU 111          3HD2      LEU 111 -27.784   6.591  -1.739
  882    H    SER 112           H        SER 112 -25.926   6.586   0.106
  883    HA   SER 112           HA       SER 112 -23.617   6.556   2.001
  884   1HB   SER 112          1HB       SER 112 -25.514   8.658   1.581
  885   2HB   SER 112          2HB       SER 112 -25.864   7.934   3.151
  886    HG   SER 112           HG       SER 112 -24.084   8.730   3.903
  887    H    ARG 113           H        ARG 113 -27.164   6.148   1.690
  888    HA   ARG 113           HA       ARG 113 -26.932   3.676   3.341
  889   1HB   ARG 113          1HB       ARG 113 -27.751   5.994   4.410
  890   2HB   ARG 113          2HB       ARG 113 -29.280   5.505   3.680
  891   1HG   ARG 113          1HG       ARG 113 -28.242   3.190   4.916
  892   2HG   ARG 113          2HG       ARG 113 -28.009   4.498   6.075
  893   1HD   ARG 113          1HD       ARG 113 -30.360   5.066   6.020
  894   2HD   ARG 113          2HD       ARG 113 -30.644   3.966   4.658
  895    HE   ARG 113           HE       ARG 113 -29.507   2.321   6.556
  896   1HH1  ARG 113          1HH1      ARG 113 -32.165   4.569   6.594
  897   2HH1  ARG 113          2HH1      ARG 113 -33.030   3.695   7.809
  898   1HH2  ARG 113          1HH2      ARG 113 -30.651   1.204   8.133
  899   2HH2  ARG 113          2HH2      ARG 113 -32.182   1.805   8.675
  900    HA   PRO 114           HA       PRO 114 -29.552   3.451  -0.604
  901   1HB   PRO 114          1HB       PRO 114 -28.113   1.315  -1.670
  902   2HB   PRO 114          2HB       PRO 114 -27.864   3.014  -2.108
  903   1HG   PRO 114          1HG       PRO 114 -26.320   1.284  -0.252
  904   2HG   PRO 114          2HG       PRO 114 -25.757   2.564  -1.334
  905   1HD   PRO 114          1HD       PRO 114 -26.008   2.895   1.347
  906   2HD   PRO 114          2HD       PRO 114 -26.214   4.223   0.187
  907    H    ARG 115           H        ARG 115 -28.240   1.198   1.738
  908    HA   ARG 115           HA       ARG 115 -29.168  -0.747   2.710
  909   1HB   ARG 115          1HB       ARG 115 -31.400   1.096   1.933
  910   2HB   ARG 115          2HB       ARG 115 -31.833  -0.518   2.494
  911   1HG   ARG 115          1HG       ARG 115 -30.013   1.388   3.996
  912   2HG   ARG 115          2HG       ARG 115 -31.727   1.164   4.346
  913   1HD   ARG 115          1HD       ARG 115 -30.691  -1.442   4.266
  914   2HD   ARG 115          2HD       ARG 115 -29.469  -0.497   5.138
  915    HE   ARG 115           HE       ARG 115 -32.120   0.236   6.008
  916   1HH1  ARG 115          1HH1      ARG 115 -29.712  -2.265   6.265
  917   2HH1  ARG 115          2HH1      ARG 115 -30.258  -2.781   7.823
  918   1HH2  ARG 115          1HH2      ARG 115 -32.809  -0.452   8.029
  919   2HH2  ARG 115          2HH2      ARG 115 -31.997  -1.764   8.816
  920    H    LEU 116           H        LEU 116 -28.209  -2.009   0.852
  921    HA   LEU 116           HA       LEU 116 -29.990  -2.733  -1.371
  922   1HB   LEU 116          1HB       LEU 116 -27.238  -2.686  -0.805
  923   2HB   LEU 116          2HB       LEU 116 -27.633  -4.400  -0.932
  924    HG   LEU 116           HG       LEU 116 -28.787  -2.587  -2.998
  925   1HD1  LEU 116          1HD1      LEU 116 -26.668  -1.675  -3.238
  926   2HD1  LEU 116          2HD1      LEU 116 -26.503  -3.110  -4.250
  927   3HD1  LEU 116          3HD1      LEU 116 -25.865  -3.112  -2.605
  928   1HD2  LEU 116          1HD2      LEU 116 -29.280  -4.650  -3.766
  929   2HD2  LEU 116          2HD2      LEU 116 -28.229  -5.404  -2.568
  930   3HD2  LEU 116          3HD2      LEU 116 -27.562  -4.856  -4.106
  931    H    THR 117           H        THR 117 -30.331  -5.150  -1.796
  932    HA   THR 117           HA       THR 117 -31.343  -7.173  -1.121
  933    HB   THR 117           HB       THR 117 -29.351  -6.659   1.120
  934    HG1  THR 117           HG1      THR 117 -28.515  -6.778  -1.018
  935   1HG2  THR 117          1HG2      THR 117 -31.027  -9.044   0.386
  936   2HG2  THR 117          2HG2      THR 117 -30.692  -8.372   1.982
  937   3HG2  THR 117          3HG2      THR 117 -29.442  -9.276   1.125
  938    H    GLN 118           H        GLN 118 -32.337  -4.444   0.024
  939    HA   GLN 118           HA       GLN 118 -34.479  -5.537   1.625
  940   1HB   GLN 118          1HB       GLN 118 -32.450  -5.679   3.141
  941   2HB   GLN 118          2HB       GLN 118 -32.357  -3.921   3.080
  942   1HG   GLN 118          1HG       GLN 118 -33.600  -4.388   5.047
  943   2HG   GLN 118          2HG       GLN 118 -34.816  -3.941   3.850
  944   1HE2  GLN 118          1HE2      GLN 118 -34.066  -6.294   6.146
  945   2HE2  GLN 118          2HE2      GLN 118 -35.031  -7.557   5.549
  946    H    ASN 119           H        ASN 119 -36.074  -3.925   2.067
  947    HA   ASN 119           HA       ASN 119 -37.242  -1.920   1.617
  948   1HB   ASN 119          1HB       ASN 119 -35.276  -1.377   3.256
  949   2HB   ASN 119          2HB       ASN 119 -34.531  -0.606   1.856
  950   1HD2  ASN 119          1HD2      ASN 119 -37.609  -0.600   3.733
  951   2HD2  ASN 119          2HD2      ASN 119 -37.958   1.035   3.442
  952   1H    GLY 201          1H        GLY 201 -25.629  36.090 -12.718
  953   2H    GLY 201          2H        GLY 201 -25.551  36.213 -14.410
  954   3H    GLY 201          3H        GLY 201 -24.167  35.778 -13.525
  955   1HA   GLY 201          1HA       GLY 201 -26.580  34.112 -13.328
  956   2HA   GLY 201          2HA       GLY 201 -25.532  33.958 -14.738
  957    H    LYS 202           H        LYS 202 -24.438  34.800 -11.482
  958    HA   LYS 202           HA       LYS 202 -22.910  32.217 -11.436
  959   1HB   LYS 202          1HB       LYS 202 -22.297  35.072 -10.876
  960   2HB   LYS 202          2HB       LYS 202 -21.585  33.911  -9.754
  961   1HG   LYS 202          1HG       LYS 202 -20.399  32.803 -11.475
  962   2HG   LYS 202          2HG       LYS 202 -21.397  33.519 -12.741
  963   1HD   LYS 202          1HD       LYS 202 -19.643  35.187 -10.926
  964   2HD   LYS 202          2HD       LYS 202 -19.059  34.522 -12.452
  965   1HE   LYS 202          1HE       LYS 202 -21.151  35.633 -13.513
  966   2HE   LYS 202          2HE       LYS 202 -21.241  36.568 -12.008
  967   1HZ   LYS 202          1HZ       LYS 202 -18.813  37.034 -12.334
  968   2HZ   LYS 202          2HZ       LYS 202 -19.830  37.765 -13.481
  969   3HZ   LYS 202          3HZ       LYS 202 -18.950  36.372 -13.892
  970    H    ALA 203           H        ALA 203 -24.971  34.425  -9.629
  971    HA   ALA 203           HA       ALA 203 -26.021  34.194  -7.526
  972   1HB   ALA 203          1HB       ALA 203 -26.907  31.983  -7.202
  973   2HB   ALA 203          2HB       ALA 203 -25.550  31.244  -8.051
  974   3HB   ALA 203          3HB       ALA 203 -26.747  32.180  -8.947
  975    HA   PRO 204           HA       PRO 204 -21.750  33.281  -5.700
  976   1HB   PRO 204          1HB       PRO 204 -22.170  35.993  -4.561
  977   2HB   PRO 204          2HB       PRO 204 -20.739  35.325  -5.366
  978   1HG   PRO 204          1HG       PRO 204 -22.342  37.142  -6.533
  979   2HG   PRO 204          2HG       PRO 204 -21.489  35.893  -7.450
  980   1HD   PRO 204          1HD       PRO 204 -24.365  36.068  -6.711
  981   2HD   PRO 204          2HD       PRO 204 -23.605  35.381  -8.162
  982    H    ARG 205           H        ARG 205 -24.618  34.934  -4.376
  983    HA   ARG 205           HA       ARG 205 -24.256  34.480  -1.628
  984   1HB   ARG 205          1HB       ARG 205 -26.468  34.891  -3.547
  985   2HB   ARG 205          2HB       ARG 205 -26.955  34.112  -2.042
  986   1HG   ARG 205          1HG       ARG 205 -25.656  35.960  -0.836
  987   2HG   ARG 205          2HG       ARG 205 -25.586  36.787  -2.393
  988   1HD   ARG 205          1HD       ARG 205 -28.287  35.836  -1.766
  989   2HD   ARG 205          2HD       ARG 205 -27.673  36.993  -0.570
  990    HE   ARG 205           HE       ARG 205 -26.955  37.967  -3.134
  991   1HH1  ARG 205          1HH1      ARG 205 -29.824  37.323  -1.270
  992   2HH1  ARG 205          2HH1      ARG 205 -30.743  38.561  -2.053
  993   1HH2  ARG 205          1HH2      ARG 205 -28.169  39.567  -4.136
  994   2HH2  ARG 205          2HH2      ARG 205 -29.816  39.823  -3.663
  995    H    LYS 206           H        LYS 206 -26.471  32.436  -3.553
  996    HA   LYS 206           HA       LYS 206 -26.268  30.226  -1.695
  997   1HB   LYS 206          1HB       LYS 206 -27.978  31.087  -3.666
  998   2HB   LYS 206          2HB       LYS 206 -27.183  29.733  -4.469
  999   1HG   LYS 206          1HG       LYS 206 -27.650  28.499  -2.183
 1000   2HG   LYS 206          2HG       LYS 206 -28.892  29.738  -2.001
 1001   1HD   LYS 206          1HD       LYS 206 -28.610  27.979  -4.454
 1002   2HD   LYS 206          2HD       LYS 206 -29.709  27.632  -3.120
 1003   1HE   LYS 206          1HE       LYS 206 -30.160  30.344  -3.810
 1004   2HE   LYS 206          2HE       LYS 206 -30.098  29.443  -5.337
 1005   1HZ   LYS 206          1HZ       LYS 206 -31.627  28.587  -2.931
 1006   2HZ   LYS 206          2HZ       LYS 206 -31.640  27.844  -4.458
 1007   3HZ   LYS 206          3HZ       LYS 206 -32.317  29.388  -4.260
 1008    H    GLN 207           H        GLN 207 -26.097  28.072  -3.613
 1009    HA   GLN 207           HA       GLN 207 -24.504  26.669  -4.640
 1010   1HB   GLN 207          1HB       GLN 207 -24.149  29.326  -5.618
 1011   2HB   GLN 207          2HB       GLN 207 -22.541  28.646  -5.368
 1012   1HG   GLN 207          1HG       GLN 207 -22.837  27.633  -7.373
 1013   2HG   GLN 207          2HG       GLN 207 -23.928  26.543  -6.518
 1014   1HE2  GLN 207          1HE2      GLN 207 -24.345  27.204  -9.280
 1015   2HE2  GLN 207          2HE2      GLN 207 -25.769  28.120  -9.400
 1016    H    LEU 208           H        LEU 208 -22.292  29.241  -3.527
 1017    HA   LEU 208           HA       LEU 208 -20.435  29.110  -2.074
 1018   1HB   LEU 208          1HB       LEU 208 -22.543  27.328  -0.820
 1019   2HB   LEU 208          2HB       LEU 208 -21.019  27.681  -0.007
 1020    HG   LEU 208           HG       LEU 208 -22.700  29.925  -1.099
 1021   1HD1  LEU 208          1HD1      LEU 208 -24.365  29.078   0.254
 1022   2HD1  LEU 208          2HD1      LEU 208 -23.441  29.956   1.473
 1023   3HD1  LEU 208          3HD1      LEU 208 -23.228  28.215   1.290
 1024   1HD2  LEU 208          1HD2      LEU 208 -20.332  29.570   0.582
 1025   2HD2  LEU 208          2HD2      LEU 208 -21.539  30.615   1.332
 1026   3HD2  LEU 208          3HD2      LEU 208 -20.899  31.010  -0.264
 1027    H    ALA 209           H        ALA 209 -19.028  27.266  -0.867
 1028    HA   ALA 209           HA       ALA 209 -18.280  25.368  -3.002
 1029   1HB   ALA 209          1HB       ALA 209 -16.959  25.548  -0.311
 1030   2HB   ALA 209          2HB       ALA 209 -16.845  26.937  -1.393
 1031   3HB   ALA 209          3HB       ALA 209 -16.221  25.368  -1.903
 1032    H    THR 210           H        THR 210 -17.768  23.074  -2.343
 1033    HA   THR 210           HA       THR 210 -18.987  21.943   0.043
 1034    HB   THR 210           HB       THR 210 -20.996  22.519  -1.253
 1035    HG1  THR 210           HG1      THR 210 -21.084  20.563  -0.162
 1036   1HG2  THR 210          1HG2      THR 210 -21.239  21.202  -3.490
 1037   2HG2  THR 210          2HG2      THR 210 -19.479  21.106  -3.439
 1038   3HG2  THR 210          3HG2      THR 210 -20.275  22.679  -3.486
 1039    H    LYS 211           H        LYS 211 -18.701  19.569   0.081
 1040    HA   LYS 211           HA       LYS 211 -17.363  18.221  -2.137
 1041   1HB   LYS 211          1HB       LYS 211 -15.195  17.999  -0.917
 1042   2HB   LYS 211          2HB       LYS 211 -15.574  19.685  -1.273
 1043   1HG   LYS 211          1HG       LYS 211 -16.727  19.619   1.096
 1044   2HG   LYS 211          2HG       LYS 211 -15.665  18.235   1.356
 1045   1HD   LYS 211          1HD       LYS 211 -14.405  20.098   2.112
 1046   2HD   LYS 211          2HD       LYS 211 -13.769  19.761   0.502
 1047   1HE   LYS 211          1HE       LYS 211 -16.025  21.524   0.234
 1048   2HE   LYS 211          2HE       LYS 211 -14.907  22.201   1.433
 1049   1HZ   LYS 211          1HZ       LYS 211 -13.109  22.007  -0.063
 1050   2HZ   LYS 211          2HZ       LYS 211 -14.368  22.691  -0.975
 1051   3HZ   LYS 211          3HZ       LYS 211 -13.995  21.043  -1.143
 1052    H    ALA 212           H        ALA 212 -17.927  16.097  -1.927
 1053    HA   ALA 212           HA       ALA 212 -18.277  14.978   0.831
 1054   1HB   ALA 212          1HB       ALA 212 -20.047  14.141  -1.444
 1055   2HB   ALA 212          2HB       ALA 212 -20.352  15.707  -0.691
 1056   3HB   ALA 212          3HB       ALA 212 -20.417  14.235   0.277
 1057    H    ALA 213           H        ALA 213 -16.661  13.448   0.945
 1058    HA   ALA 213           HA       ALA 213 -16.625  11.260  -1.018
 1059   1HB   ALA 213          1HB       ALA 213 -14.356  11.713  -1.777
 1060   2HB   ALA 213          2HB       ALA 213 -14.194  13.044  -0.631
 1061   3HB   ALA 213          3HB       ALA 213 -15.300  13.187  -1.996
 1062    H    ARG 214           H        ARG 214 -13.808  10.614  -0.227
 1063    HA   ARG 214           HA       ARG 214 -12.681   9.425   1.462
 1064   1HB   ARG 214          1HB       ARG 214 -14.465  11.044   3.316
 1065   2HB   ARG 214          2HB       ARG 214 -12.894  10.344   3.697
 1066   1HG   ARG 214          1HG       ARG 214 -12.617  11.981   1.358
 1067   2HG   ARG 214          2HG       ARG 214 -13.438  12.918   2.607
 1068   1HD   ARG 214          1HD       ARG 214 -11.613  12.127   4.220
 1069   2HD   ARG 214          2HD       ARG 214 -10.740  11.545   2.789
 1070    HE   ARG 214           HE       ARG 214 -11.155  14.346   3.522
 1071   1HH1  ARG 214          1HH1      ARG 214 -10.672  12.093   0.912
 1072   2HH1  ARG 214          2HH1      ARG 214 -10.018  13.293  -0.149
 1073   1HH2  ARG 214          1HH2      ARG 214 -10.303  15.885   2.127
 1074   2HH2  ARG 214          2HH2      ARG 214  -9.809  15.424   0.532
 1075   1HN   MLZ 215          1HN       MLZ 215 -13.077   7.317   1.936
 1076    HA   MLZ 215           HA       MLZ 215 -15.761   6.237   1.993
 1077   1HB   MLZ 215          1HB       MLZ 215 -12.935   5.301   2.312
 1078   2HB   MLZ 215          2HB       MLZ 215 -14.215   4.221   2.865
 1079   1HG   MLZ 215          1HG       MLZ 215 -14.768   5.429   0.247
 1080   2HG   MLZ 215          2HG       MLZ 215 -14.869   3.742   0.747
 1081   1HD   MLZ 215          1HD       MLZ 215 -12.202   5.088   0.320
 1082   2HD   MLZ 215          2HD       MLZ 215 -12.570   3.364   0.339
 1083   1HE   MLZ 215          1HE       MLZ 215 -12.622   5.204  -1.907
 1084   2HE   MLZ 215          2HE       MLZ 215 -14.203   4.426  -1.695
 1085    HZ   MLZ 215           HZ       MLZ 215 -13.232   2.305  -1.727
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -13.199   3.728  -3.878
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -12.410   2.155  -3.855
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -11.455   3.622  -3.668
 1089    H    SER 216           H        SER 216 -17.066   5.847   3.750
 1090    HA   SER 216           HA       SER 216 -17.822   5.875   5.985
 1091   1HB   SER 216          1HB       SER 216 -15.330   7.418   6.689
 1092   2HB   SER 216          2HB       SER 216 -16.542   8.157   5.642
 1093    HG   SER 216           HG       SER 216 -16.621   7.616   8.329
 1094    H    ALA 217           H        ALA 217 -17.518   4.601   7.848
 1095    HA   ALA 217           HA       ALA 217 -15.236   2.722   7.741
 1096   1HB   ALA 217          1HB       ALA 217 -14.435   4.701   9.009
 1097   2HB   ALA 217          2HB       ALA 217 -14.577   3.297  10.066
 1098   3HB   ALA 217          3HB       ALA 217 -15.812   4.556  10.100
 1099    HA   PRO 218           HA       PRO 218 -18.371   0.004   9.210
 1100   1HB   PRO 218          1HB       PRO 218 -16.789  -1.765  10.666
 1101   2HB   PRO 218          2HB       PRO 218 -17.008  -1.828   8.908
 1102   1HG   PRO 218          1HG       PRO 218 -14.757  -0.728  10.505
 1103   2HG   PRO 218          2HG       PRO 218 -14.734  -1.563   8.945
 1104   1HD   PRO 218          1HD       PRO 218 -14.442   1.126   9.198
 1105   2HD   PRO 218          2HD       PRO 218 -15.166   0.360   7.768
 1106    H    ALA 219           H        ALA 219 -19.078  -1.031  11.425
 1107    HA   ALA 219           HA       ALA 219 -19.564   0.975  13.335
 1108   1HB   ALA 219          1HB       ALA 219 -20.537  -0.786  14.541
 1109   2HB   ALA 219          2HB       ALA 219 -19.247  -1.914  14.122
 1110   3HB   ALA 219          3HB       ALA 219 -20.467  -1.482  12.923
 1111    H    THR 220           H        THR 220 -17.322  -1.776  13.864
 1112    HA   THR 220           HA       THR 220 -15.385  -1.912  15.210
 1113    HB   THR 220           HB       THR 220 -15.268   0.956  14.204
 1114    HG1  THR 220           HG1      THR 220 -14.444   0.117  12.433
 1115   1HG2  THR 220          1HG2      THR 220 -12.684   0.072  14.421
 1116   2HG2  THR 220          2HG2      THR 220 -13.434  -0.701  15.818
 1117   3HG2  THR 220          3HG2      THR 220 -13.502   1.052  15.638
 1118    H    GLY 221           H        GLY 221 -17.298  -1.808  16.974
 1119   1HA   GLY 221          1HA       GLY 221 -16.308  -0.023  19.073
 1120   2HA   GLY 221          2HA       GLY 221 -17.957   0.330  18.557
 1121   1H    MET   1          1H        MET   1  -1.083 -10.683   4.847
 1122   2H    MET   1          2H        MET   1  -0.850 -12.286   5.355
 1123   3H    MET   1          3H        MET   1   0.041 -11.673   4.046
 1124    HA   MET   1           HA       MET   1   1.038 -10.008   5.627
 1125   1HB   MET   1          1HB       MET   1  -0.766 -11.698   7.320
 1126   2HB   MET   1          2HB       MET   1   0.738 -11.133   8.046
 1127   1HG   MET   1          1HG       MET   1  -0.744  -9.073   6.537
 1128   2HG   MET   1          2HG       MET   1  -1.579  -9.672   7.970
 1129   1HE   MET   1          1HE       MET   1   0.663  -7.145   6.619
 1130   2HE   MET   1          2HE       MET   1   0.881  -6.243   8.119
 1131   3HE   MET   1          3HE       MET   1  -0.737  -6.720   7.605
 1132    H    PHE   2           H        PHE   2   0.614 -13.534   5.711
 1133    HA   PHE   2           HA       PHE   2   3.599 -13.791   5.847
 1134   1HB   PHE   2          1HB       PHE   2   3.164 -15.848   7.184
 1135   2HB   PHE   2          2HB       PHE   2   2.480 -14.419   7.958
 1136    HD1  PHE   2           HD1      PHE   2   1.758 -17.595   6.301
 1137    HD2  PHE   2           HD2      PHE   2   0.036 -13.982   7.861
 1138    HE1  PHE   2           HE1      PHE   2  -0.486 -18.650   6.266
 1139    HE2  PHE   2           HE2      PHE   2  -2.208 -15.037   7.826
 1140    HZ   PHE   2           HZ       PHE   2  -2.469 -17.371   7.029
 1141    H    ASN   3           H        ASN   3   4.383 -14.749   4.031
 1142    HA   ASN   3           HA       ASN   3   2.611 -16.669   2.554
 1143   1HB   ASN   3          1HB       ASN   3   4.592 -14.623   1.486
 1144   2HB   ASN   3          2HB       ASN   3   3.622 -15.714   0.498
 1145   1HD2  ASN   3          1HD2      ASN   3   1.100 -15.575   1.410
 1146   2HD2  ASN   3          2HD2      ASN   3   0.518 -13.982   1.476
 1147    H    ASP   4           H        ASP   4   3.689 -18.498   1.679
 1148    HA   ASP   4           HA       ASP   4   5.772 -19.715   3.042
 1149   1HB   ASP   4          1HB       ASP   4   4.186 -20.560   1.198
 1150   2HB   ASP   4          2HB       ASP   4   5.367 -19.936   0.046
 1151    H    ARG   5           H        ARG   5   6.137 -17.774   0.047
 1152    HA   ARG   5           HA       ARG   5   8.962 -17.977  -0.178
 1153   1HB   ARG   5          1HB       ARG   5   6.925 -15.870  -0.953
 1154   2HB   ARG   5          2HB       ARG   5   8.611 -15.797  -1.467
 1155   1HG   ARG   5          1HG       ARG   5   7.073 -18.337  -1.883
 1156   2HG   ARG   5          2HG       ARG   5   6.811 -16.991  -2.992
 1157   1HD   ARG   5          1HD       ARG   5   9.151 -16.946  -3.604
 1158   2HD   ARG   5          2HD       ARG   5   9.558 -18.101  -2.320
 1159    HE   ARG   5           HE       ARG   5   8.719 -19.833  -3.698
 1160   1HH1  ARG   5          1HH1      ARG   5   7.592 -16.725  -4.791
 1161   2HH1  ARG   5          2HH1      ARG   5   6.849 -17.373  -6.212
 1162   1HH2  ARG   5          1HH2      ARG   5   7.746 -20.648  -5.549
 1163   2HH2  ARG   5          2HH2      ARG   5   6.933 -19.576  -6.640
 1164    H    VAL   6           H        VAL   6   6.970 -15.508   1.481
 1165    HA   VAL   6           HA       VAL   6   9.214 -14.962   3.332
 1166    HB   VAL   6           HB       VAL   6   9.131 -12.523   2.715
 1167   1HG1  VAL   6          1HG1      VAL   6  10.520 -12.733   0.799
 1168   2HG1  VAL   6          2HG1      VAL   6   9.686 -14.190   0.257
 1169   3HG1  VAL   6          3HG1      VAL   6  10.732 -14.249   1.675
 1170   1HG2  VAL   6          1HG2      VAL   6   7.958 -11.830   0.713
 1171   2HG2  VAL   6          2HG2      VAL   6   6.805 -12.660   1.758
 1172   3HG2  VAL   6          3HG2      VAL   6   7.487 -13.493   0.361
 1173    H    ILE   7           H        ILE   7   8.492 -13.839   5.231
 1174    HA   ILE   7           HA       ILE   7   5.509 -13.605   5.474
 1175    HB   ILE   7           HB       ILE   7   6.484 -15.450   6.766
 1176   1HG1  ILE   7          1HG1      ILE   7   6.017 -13.191   8.718
 1177   2HG1  ILE   7          2HG1      ILE   7   4.704 -13.899   7.779
 1178   1HG2  ILE   7          1HG2      ILE   7   8.162 -14.827   8.585
 1179   2HG2  ILE   7          2HG2      ILE   7   8.351 -13.284   7.753
 1180   3HG2  ILE   7          3HG2      ILE   7   8.777 -14.785   6.933
 1181   1HD1  ILE   7          1HD1      ILE   7   4.662 -15.168   9.756
 1182   2HD1  ILE   7          2HD1      ILE   7   6.420 -15.184   9.893
 1183   3HD1  ILE   7          3HD1      ILE   7   5.622 -16.175   8.673
 1184    H    VAL   8           H        VAL   8   4.862 -11.949   7.187
 1185    HA   VAL   8           HA       VAL   8   6.448  -9.489   6.790
 1186    HB   VAL   8           HB       VAL   8   3.992  -9.518   6.521
 1187   1HG1  VAL   8          1HG1      VAL   8   4.110 -11.174   8.800
 1188   2HG1  VAL   8          2HG1      VAL   8   2.659 -10.632   7.958
 1189   3HG1  VAL   8          3HG1      VAL   8   3.284  -9.707   9.323
 1190   1HG2  VAL   8          1HG2      VAL   8   4.410  -7.364   7.149
 1191   2HG2  VAL   8          2HG2      VAL   8   5.380  -7.854   8.539
 1192   3HG2  VAL   8          3HG2      VAL   8   3.620  -7.842   8.651
 1193    H    LYS   9           H        LYS   9   7.845  -8.730   8.289
 1194    HA   LYS   9           HA       LYS   9   7.447  -9.396  11.151
 1195   1HB   LYS   9          1HB       LYS   9   9.705 -10.160   9.337
 1196   2HB   LYS   9          2HB       LYS   9  10.048  -9.862  11.044
 1197   1HG   LYS   9          1HG       LYS   9   7.837 -11.396  11.291
 1198   2HG   LYS   9          2HG       LYS   9   8.463 -12.038   9.774
 1199   1HD   LYS   9          1HD       LYS   9  10.461 -12.754  10.767
 1200   2HD   LYS   9          2HD       LYS   9  10.284 -11.671  12.138
 1201   1HE   LYS   9          1HE       LYS   9   8.017 -13.191  12.361
 1202   2HE   LYS   9          2HE       LYS   9   9.172 -14.372  11.719
 1203   1HZ   LYS   9          1HZ       LYS   9  10.781 -13.443  13.405
 1204   2HZ   LYS   9          2HZ       LYS   9   9.495 -14.346  14.048
 1205   3HZ   LYS   9          3HZ       LYS   9   9.460 -12.650  14.121
 1206    H    LYS  10           H        LYS  10   8.848  -6.134  11.776
 1207    HA   LYS  10           HA       LYS  10   8.109  -7.043  13.784
 1208   1HB   LYS  10          1HB       LYS  10   6.259  -7.728  11.691
 1209   2HB   LYS  10          2HB       LYS  10   6.319  -9.047  12.861
 1210   1HG   LYS  10          1HG       LYS  10   5.535  -7.728  14.595
 1211   2HG   LYS  10          2HG       LYS  10   6.193  -6.245  13.901
 1212   1HD   LYS  10          1HD       LYS  10   3.733  -6.266  13.738
 1213   2HD   LYS  10          2HD       LYS  10   4.464  -6.314  12.133
 1214   1HE   LYS  10          1HE       LYS  10   2.812  -8.011  12.023
 1215   2HE   LYS  10          2HE       LYS  10   4.281  -8.923  12.418
 1216   1HZ   LYS  10          1HZ       LYS  10   3.736  -8.657  14.778
 1217   2HZ   LYS  10          2HZ       LYS  10   2.503  -9.486  13.956
 1218   3HZ   LYS  10          3HZ       LYS  10   2.300  -7.850  14.366
 1219    H    SER  11           H        SER  11  10.362  -7.923  13.804
 1220    HA   SER  11           HA       SER  11  10.316 -10.913  13.891
 1221   1HB   SER  11          1HB       SER  11  12.051 -10.929  12.391
 1222   2HB   SER  11          2HB       SER  11  11.610  -9.259  12.061
 1223    HG   SER  11           HG       SER  11  13.601  -8.947  12.679
 1224    HA   PRO  12           HA       PRO  12  12.242 -10.695  17.830
 1225   1HB   PRO  12          1HB       PRO  12  14.634 -12.086  17.562
 1226   2HB   PRO  12          2HB       PRO  12  13.049 -12.853  17.763
 1227   1HG   PRO  12          1HG       PRO  12  14.664 -12.444  15.305
 1228   2HG   PRO  12          2HG       PRO  12  13.608 -13.791  15.752
 1229   1HD   PRO  12          1HD       PRO  12  12.907 -11.858  13.969
 1230   2HD   PRO  12          2HD       PRO  12  11.731 -12.743  14.961
 1231    H    LEU  13           H        LEU  13  14.531 -10.032  15.190
 1232    HA   LEU  13           HA       LEU  13  16.437  -8.549  16.756
 1233   1HB   LEU  13          1HB       LEU  13  15.871  -9.280  14.001
 1234   2HB   LEU  13          2HB       LEU  13  16.410  -7.604  14.091
 1235    HG   LEU  13           HG       LEU  13  18.332  -9.131  13.840
 1236   1HD1  LEU  13          1HD1      LEU  13  19.531  -7.748  15.157
 1237   2HD1  LEU  13          2HD1      LEU  13  18.821  -8.435  16.618
 1238   3HD1  LEU  13          3HD1      LEU  13  18.000  -7.123  15.772
 1239   1HD2  LEU  13          1HD2      LEU  13  18.419 -11.095  14.941
 1240   2HD2  LEU  13          2HD2      LEU  13  16.826 -10.737  15.608
 1241   3HD2  LEU  13          3HD2      LEU  13  18.278 -10.275  16.496
 1242    H    GLY  14           H        GLY  14  13.444  -7.656  15.093
 1243   1HA   GLY  14          1HA       GLY  14  12.135  -5.742  15.866
 1244   2HA   GLY  14          2HA       GLY  14  13.638  -4.972  16.374
 1245    H    GLY  15           H        GLY  15  11.296  -4.753  14.100
 1246   1HA   GLY  15          1HA       GLY  15  12.106  -2.790  12.502
 1247   2HA   GLY  15          2HA       GLY  15  13.108  -4.085  11.846
 1248    H    TYR  16           H        TYR  16  10.529  -2.485  10.970
 1249    HA   TYR  16           HA       TYR  16   8.673  -4.729  10.458
 1250   1HB   TYR  16          1HB       TYR  16   8.712  -1.760  10.335
 1251   2HB   TYR  16          2HB       TYR  16   7.662  -2.558   9.164
 1252    HD1  TYR  16           HD1      TYR  16   8.291  -1.926  12.729
 1253    HD2  TYR  16           HD2      TYR  16   5.780  -3.953   9.894
 1254    HE1  TYR  16           HE1      TYR  16   6.612  -2.335  14.508
 1255    HE2  TYR  16           HE2      TYR  16   4.101  -4.362  11.673
 1256    HH   TYR  16           HH       TYR  16   3.955  -2.753  14.465
 1257    H    GLY  17           H        GLY  17  10.641  -5.683   9.126
 1258   1HA   GLY  17          1HA       GLY  17  10.473  -4.635   6.326
 1259   2HA   GLY  17          2HA       GLY  17  11.868  -5.511   6.958
 1260    H    VAL  18           H        VAL  18  11.423  -6.974   5.059
 1261    HA   VAL  18           HA       VAL  18   9.119  -8.819   5.587
 1262    HB   VAL  18           HB       VAL  18   9.059  -7.904   3.358
 1263   1HG1  VAL  18          1HG1      VAL  18  11.384  -8.674   2.052
 1264   2HG1  VAL  18          2HG1      VAL  18  11.961  -8.085   3.608
 1265   3HG1  VAL  18          3HG1      VAL  18  10.991  -7.040   2.579
 1266   1HG2  VAL  18          1HG2      VAL  18   9.084 -10.564   3.783
 1267   2HG2  VAL  18          2HG2      VAL  18  10.455 -10.442   2.681
 1268   3HG2  VAL  18          3HG2      VAL  18   8.867  -9.863   2.179
 1269    H    PHE  19           H        PHE  19   9.588 -10.895   6.255
 1270    HA   PHE  19           HA       PHE  19  12.430 -11.537   6.759
 1271   1HB   PHE  19          1HB       PHE  19  10.010 -11.913   8.075
 1272   2HB   PHE  19          2HB       PHE  19  10.385 -13.522   7.455
 1273    HD1  PHE  19           HD1      PHE  19  11.685 -14.885   8.820
 1274    HD2  PHE  19           HD2      PHE  19  12.197 -10.625   9.020
 1275    HE1  PHE  19           HE1      PHE  19  13.382 -15.172  10.606
 1276    HE2  PHE  19           HE2      PHE  19  13.894 -10.912  10.805
 1277    HZ   PHE  19           HZ       PHE  19  14.486 -13.185  11.598
 1278    H    ALA  20           H        ALA  20  13.505 -13.289   5.814
 1279    HA   ALA  20           HA       ALA  20  12.255 -14.399   3.354
 1280   1HB   ALA  20          1HB       ALA  20  14.844 -13.520   4.227
 1281   2HB   ALA  20          2HB       ALA  20  14.368 -14.051   2.613
 1282   3HB   ALA  20          3HB       ALA  20  14.966 -15.224   3.787
 1283    H    ARG  21           H        ARG  21  10.868 -15.996   4.384
 1284    HA   ARG  21           HA       ARG  21  11.768 -17.929   6.299
 1285   1HB   ARG  21          1HB       ARG  21   9.452 -17.282   4.721
 1286   2HB   ARG  21          2HB       ARG  21   9.758 -19.013   4.582
 1287   1HG   ARG  21          1HG       ARG  21   9.513 -19.376   6.877
 1288   2HG   ARG  21          2HG       ARG  21   9.882 -17.700   7.282
 1289   1HD   ARG  21          1HD       ARG  21   7.715 -16.998   6.906
 1290   2HD   ARG  21          2HD       ARG  21   7.452 -18.179   5.609
 1291    HE   ARG  21           HE       ARG  21   7.869 -19.491   8.159
 1292   1HH1  ARG  21          1HH1      ARG  21   5.525 -17.783   6.235
 1293   2HH1  ARG  21          2HH1      ARG  21   4.177 -18.553   6.996
 1294   1HH2  ARG  21          1HH2      ARG  21   6.103 -20.477   9.132
 1295   2HH2  ARG  21          2HH2      ARG  21   4.498 -20.067   8.624
 1296    H    LYS  22           H        LYS  22  12.347 -17.612   2.895
 1297    HA   LYS  22           HA       LYS  22  13.012 -20.461   2.503
 1298   1HB   LYS  22          1HB       LYS  22  12.313 -18.143   0.963
 1299   2HB   LYS  22          2HB       LYS  22  13.873 -18.722   0.387
 1300   1HG   LYS  22          1HG       LYS  22  12.882 -20.448  -0.664
 1301   2HG   LYS  22          2HG       LYS  22  12.143 -20.977   0.845
 1302   1HD   LYS  22          1HD       LYS  22  10.777 -18.630  -0.080
 1303   2HD   LYS  22          2HD       LYS  22  10.870 -19.788  -1.405
 1304   1HE   LYS  22          1HE       LYS  22   8.839 -20.160  -0.005
 1305   2HE   LYS  22          2HE       LYS  22   9.938 -21.549   0.080
 1306   1HZ   LYS  22          1HZ       LYS  22  10.714 -20.915   2.152
 1307   2HZ   LYS  22          2HZ       LYS  22   9.074 -20.494   2.269
 1308   3HZ   LYS  22          3HZ       LYS  22  10.238 -19.296   1.966
 1309    H    SER  23           H        SER  23  16.642 -19.959   2.080
 1310    HA   SER  23           HA       SER  23  14.191 -21.350   1.115
 1311   1HB   SER  23          1HB       SER  23  16.797 -22.300   0.186
 1312   2HB   SER  23          2HB       SER  23  16.755 -22.114   1.940
 1313    HG   SER  23           HG       SER  23  15.900 -24.146   0.754
 1314    H    PHE  24           H        PHE  24  16.307 -18.864   0.115
 1315    HA   PHE  24           HA       PHE  24  15.326 -19.150  -2.693
 1316   1HB   PHE  24          1HB       PHE  24  16.220 -16.879  -0.903
 1317   2HB   PHE  24          2HB       PHE  24  16.072 -16.656  -2.646
 1318    HD1  PHE  24           HD1      PHE  24  13.751 -18.225  -3.380
 1319    HD2  PHE  24           HD2      PHE  24  14.400 -15.809   0.112
 1320    HE1  PHE  24           HE1      PHE  24  11.304 -17.913  -3.142
 1321    HE2  PHE  24           HE2      PHE  24  11.951 -15.497   0.352
 1322    HZ   PHE  24           HZ       PHE  24  10.402 -16.549  -1.275
 1323    H    GLU  25           H        GLU  25  16.883 -18.455  -4.408
 1324    HA   GLU  25           HA       GLU  25  19.663 -19.329  -3.741
 1325   1HB   GLU  25          1HB       GLU  25  17.929 -20.203  -5.630
 1326   2HB   GLU  25          2HB       GLU  25  18.714 -18.911  -6.540
 1327   1HG   GLU  25          1HG       GLU  25  20.856 -20.150  -5.328
 1328   2HG   GLU  25          2HG       GLU  25  19.786 -21.510  -5.670
 1329    H    LYS  26           H        LYS  26  20.620 -18.070  -6.270
 1330    HA   LYS  26           HA       LYS  26  20.808 -15.262  -5.253
 1331   1HB   LYS  26          1HB       LYS  26  22.856 -16.702  -5.421
 1332   2HB   LYS  26          2HB       LYS  26  22.575 -16.836  -7.154
 1333   1HG   LYS  26          1HG       LYS  26  22.837 -14.446  -7.444
 1334   2HG   LYS  26          2HG       LYS  26  22.931 -14.206  -5.702
 1335   1HD   LYS  26          1HD       LYS  26  24.898 -16.071  -6.126
 1336   2HD   LYS  26          2HD       LYS  26  25.001 -15.096  -7.591
 1337   1HE   LYS  26          1HE       LYS  26  24.689 -13.204  -5.564
 1338   2HE   LYS  26          2HE       LYS  26  25.793 -14.403  -4.865
 1339   1HZ   LYS  26          1HZ       LYS  26  27.096 -12.898  -6.157
 1340   2HZ   LYS  26          2HZ       LYS  26  26.046 -13.021  -7.486
 1341   3HZ   LYS  26          3HZ       LYS  26  27.003 -14.349  -7.034
 1342    H    GLY  27           H        GLY  27  18.738 -14.720  -6.363
 1343   1HA   GLY  27          1HA       GLY  27  18.432 -13.171  -8.358
 1344   2HA   GLY  27          2HA       GLY  27  19.078 -14.495  -9.328
 1345    H    GLU  28           H        GLU  28  16.695 -14.522  -6.661
 1346    HA   GLU  28           HA       GLU  28  14.716 -15.670  -8.604
 1347   1HB   GLU  28          1HB       GLU  28  15.193 -16.453  -5.705
 1348   2HB   GLU  28          2HB       GLU  28  14.083 -17.238  -6.828
 1349   1HG   GLU  28          1HG       GLU  28  16.371 -17.384  -8.269
 1350   2HG   GLU  28          2HG       GLU  28  17.041 -17.436  -6.638
 1351    H    LEU  29           H        LEU  29  12.574 -14.993  -8.312
 1352    HA   LEU  29           HA       LEU  29  12.142 -12.499  -6.870
 1353   1HB   LEU  29          1HB       LEU  29  11.132 -13.609  -9.078
 1354   2HB   LEU  29          2HB       LEU  29   9.943 -14.243  -7.941
 1355    HG   LEU  29           HG       LEU  29   9.199 -12.090  -8.896
 1356   1HD1  LEU  29          1HD1      LEU  29   9.908 -11.244  -6.154
 1357   2HD1  LEU  29          2HD1      LEU  29   9.126 -12.821  -6.270
 1358   3HD1  LEU  29          3HD1      LEU  29   8.323 -11.388  -6.912
 1359   1HD2  LEU  29          1HD2      LEU  29  10.702 -10.462  -9.280
 1360   2HD2  LEU  29          2HD2      LEU  29  11.948 -11.425  -8.488
 1361   3HD2  LEU  29          3HD2      LEU  29  10.970 -10.304  -7.544
 1362    H    VAL  30           H        VAL  30  11.030 -12.232  -4.907
 1363    HA   VAL  30           HA       VAL  30  10.263 -14.761  -3.483
 1364    HB   VAL  30           HB       VAL  30  11.021 -13.486  -1.437
 1365   1HG1  VAL  30          1HG1      VAL  30  13.218 -13.551  -3.501
 1366   2HG1  VAL  30          2HG1      VAL  30  12.480 -15.038  -2.905
 1367   3HG1  VAL  30          3HG1      VAL  30  13.311 -13.955  -1.787
 1368   1HG2  VAL  30          1HG2      VAL  30  11.725 -11.332  -1.546
 1369   2HG2  VAL  30          2HG2      VAL  30  10.797 -11.291  -3.044
 1370   3HG2  VAL  30          3HG2      VAL  30  12.536 -11.577  -3.092
 1371    H    GLU  31           H        GLU  31   9.342 -11.489  -4.321
 1372    HA   GLU  31           HA       GLU  31   6.579 -11.978  -3.608
 1373   1HB   GLU  31          1HB       GLU  31   8.164 -11.426  -1.472
 1374   2HB   GLU  31          2HB       GLU  31   7.727  -9.786  -1.951
 1375   1HG   GLU  31          1HG       GLU  31   5.313 -10.536  -1.981
 1376   2HG   GLU  31          2HG       GLU  31   5.844 -12.058  -1.265
 1377    H    GLU  32           H        GLU  32   5.215 -10.219  -4.312
 1378    HA   GLU  32           HA       GLU  32   6.561  -7.885  -5.589
 1379   1HB   GLU  32          1HB       GLU  32   5.439 -10.269  -6.841
 1380   2HB   GLU  32          2HB       GLU  32   4.650  -8.806  -7.432
 1381   1HG   GLU  32          1HG       GLU  32   6.757  -7.857  -8.103
 1382   2HG   GLU  32          2HG       GLU  32   7.656  -9.129  -7.275
 1383    H    CYS  33           H        CYS  33   5.111  -6.090  -5.888
 1384    HA   CYS  33           HA       CYS  33   2.280  -6.427  -5.070
 1385   1HB   CYS  33          1HB       CYS  33   2.568  -4.691  -3.309
 1386   2HB   CYS  33          2HB       CYS  33   3.573  -6.104  -2.989
 1387    HG   CYS  33           HG       CYS  33   4.798  -3.568  -2.959
 1388    H    LEU  34           H        LEU  34   1.725  -3.680  -4.744
 1389    HA   LEU  34           HA       LEU  34   2.315  -2.640  -7.495
 1390   1HB   LEU  34          1HB       LEU  34  -0.042  -2.257  -5.610
 1391   2HB   LEU  34          2HB       LEU  34   0.098  -1.507  -7.200
 1392    HG   LEU  34           HG       LEU  34   0.283  -4.500  -6.815
 1393   1HD1  LEU  34          1HD1      LEU  34  -1.891  -4.091  -6.020
 1394   2HD1  LEU  34          2HD1      LEU  34  -2.152  -4.357  -7.744
 1395   3HD1  LEU  34          3HD1      LEU  34  -2.127  -2.716  -7.098
 1396   1HD2  LEU  34          1HD2      LEU  34   0.911  -4.258  -8.982
 1397   2HD2  LEU  34          2HD2      LEU  34   0.333  -2.593  -9.054
 1398   3HD2  LEU  34          3HD2      LEU  34  -0.794  -3.929  -9.290
 1399    H    CYS  35           H        CYS  35   1.858  -0.087  -7.431
 1400    HA   CYS  35           HA       CYS  35   2.914   1.164  -4.950
 1401   1HB   CYS  35          1HB       CYS  35   4.237   1.075  -7.675
 1402   2HB   CYS  35          2HB       CYS  35   4.645   2.312  -6.486
 1403    HG   CYS  35           HG       CYS  35   5.579  -0.568  -6.402
 1404    H    ILE  36           H        ILE  36   2.954   3.647  -5.290
 1405    HA   ILE  36           HA       ILE  36   0.553   4.414  -6.912
 1406    HB   ILE  36           HB       ILE  36   1.955   5.866  -4.637
 1407   1HG1  ILE  36          1HG1      ILE  36  -0.510   4.096  -4.576
 1408   2HG1  ILE  36          2HG1      ILE  36   1.067   3.666  -3.912
 1409   1HG2  ILE  36          1HG2      ILE  36   0.398   7.079  -6.336
 1410   2HG2  ILE  36          2HG2      ILE  36   0.110   7.323  -4.614
 1411   3HG2  ILE  36          3HG2      ILE  36  -0.902   6.203  -5.527
 1412   1HD1  ILE  36          1HD1      ILE  36   0.057   6.277  -2.999
 1413   2HD1  ILE  36          2HD1      ILE  36   0.768   4.959  -2.068
 1414   3HD1  ILE  36          3HD1      ILE  36  -0.941   4.911  -2.500
 1415    H    VAL  37           H        VAL  37   0.749   6.126  -8.420
 1416    HA   VAL  37           HA       VAL  37   3.537   7.161  -8.834
 1417    HB   VAL  37           HB       VAL  37   1.392   6.525 -10.893
 1418   1HG1  VAL  37          1HG1      VAL  37   4.345   6.957 -11.356
 1419   2HG1  VAL  37          2HG1      VAL  37   3.206   8.304 -11.367
 1420   3HG1  VAL  37          3HG1      VAL  37   3.035   6.995 -12.537
 1421   1HG2  VAL  37          1HG2      VAL  37   3.908   4.991 -10.176
 1422   2HG2  VAL  37          2HG2      VAL  37   2.741   4.552 -11.423
 1423   3HG2  VAL  37          3HG2      VAL  37   2.274   4.506  -9.723
 1424    H    ARG  38           H        ARG  38   3.033   9.100  -7.640
 1425    HA   ARG  38           HA       ARG  38   1.019  10.894  -8.957
 1426   1HB   ARG  38          1HB       ARG  38   1.830  10.268  -6.165
 1427   2HB   ARG  38          2HB       ARG  38   1.522  11.973  -6.496
 1428   1HG   ARG  38          1HG       ARG  38  -0.400   9.751  -7.237
 1429   2HG   ARG  38          2HG       ARG  38  -0.509  10.675  -5.738
 1430   1HD   ARG  38          1HD       ARG  38  -0.449  12.770  -7.320
 1431   2HD   ARG  38          2HD       ARG  38  -0.943  11.613  -8.571
 1432    HE   ARG  38           HE       ARG  38  -2.613  11.016  -6.449
 1433   1HH1  ARG  38          1HH1      ARG  38  -1.812  13.932  -8.173
 1434   2HH1  ARG  38          2HH1      ARG  38  -3.361  14.650  -7.898
 1435   1HH2  ARG  38          1HH2      ARG  38  -4.615  11.969  -6.106
 1436   2HH2  ARG  38          2HH2      ARG  38  -4.938  13.549  -6.737
 1437    H    HIS  39           H        HIS  39   1.715  13.322  -8.439
 1438    HA   HIS  39           HA       HIS  39   4.449  13.648  -9.522
 1439   1HB   HIS  39          1HB       HIS  39   1.905  15.078  -9.435
 1440   2HB   HIS  39          2HB       HIS  39   3.250  16.143  -9.023
 1441    HD1  HIS  39           HD1      HIS  39   3.456  17.398 -11.227
 1442    HD2  HIS  39           HD2      HIS  39   3.530  13.260 -11.729
 1443    HE1  HIS  39           HE1      HIS  39   4.091  16.981 -13.643
 1444    H    ASN  40           H        ASN  40   5.686  15.612  -8.457
 1445    HA   ASN  40           HA       ASN  40   6.188  14.912  -5.678
 1446   1HB   ASN  40          1HB       ASN  40   7.711  15.803  -7.639
 1447   2HB   ASN  40          2HB       ASN  40   7.186  17.389  -7.074
 1448   1HD2  ASN  40          1HD2      ASN  40   9.317  14.727  -6.410
 1449   2HD2  ASN  40          2HD2      ASN  40   9.932  15.312  -4.940
 1450    H    ASP  41           H        ASP  41   6.677  18.003  -5.220
 1451    HA   ASP  41           HA       ASP  41   5.514  19.793  -4.223
 1452   1HB   ASP  41          1HB       ASP  41   4.050  19.033  -6.404
 1453   2HB   ASP  41          2HB       ASP  41   2.866  18.792  -5.120
 1454    H    ASP  42           H        ASP  42   2.677  19.466  -3.256
 1455    HA   ASP  42           HA       ASP  42   3.039  18.777  -0.598
 1456   1HB   ASP  42          1HB       ASP  42   0.566  18.349  -0.646
 1457   2HB   ASP  42          2HB       ASP  42   1.018  19.797  -1.546
 1458    H    TRP  43           H        TRP  43   2.647  16.566  -3.308
 1459    HA   TRP  43           HA       TRP  43   2.078  14.194  -1.763
 1460   1HB   TRP  43          1HB       TRP  43   1.608  14.339  -4.144
 1461   2HB   TRP  43          2HB       TRP  43   3.289  14.732  -4.498
 1462    HD1  TRP  43           HD1      TRP  43   4.846  12.775  -5.019
 1463    HE1  TRP  43           HE1      TRP  43   4.703  10.210  -4.808
 1464    HE3  TRP  43           HE3      TRP  43   0.409  12.342  -2.531
 1465    HZ2  TRP  43           HZ2      TRP  43   2.939   8.237  -3.721
 1466    HZ3  TRP  43           HZ3      TRP  43  -0.474  10.110  -1.918
 1467    HH2  TRP  43           HH2      TRP  43   0.781   8.059  -2.514
 1468    H    GLY  44           H        GLY  44   5.112  15.412  -3.244
 1469   1HA   GLY  44          1HA       GLY  44   6.816  13.396  -2.205
 1470   2HA   GLY  44          2HA       GLY  44   7.350  15.011  -2.668
 1471    H    THR  45           H        THR  45   5.355  16.153  -0.657
 1472    HA   THR  45           HA       THR  45   7.220  16.152   1.612
 1473    HB   THR  45           HB       THR  45   4.534  17.481   1.096
 1474    HG1  THR  45           HG1      THR  45   5.871  19.273   0.655
 1475   1HG2  THR  45          1HG2      THR  45   4.623  18.284   3.201
 1476   2HG2  THR  45          2HG2      THR  45   6.278  18.842   2.958
 1477   3HG2  THR  45          3HG2      THR  45   5.975  17.195   3.511
 1478    H    ALA  46           H        ALA  46   3.655  15.734   1.537
 1479    HA   ALA  46           HA       ALA  46   3.272  14.612   4.045
 1480   1HB   ALA  46          1HB       ALA  46   1.515  13.209   2.447
 1481   2HB   ALA  46          2HB       ALA  46   1.972  14.548   1.393
 1482   3HB   ALA  46          3HB       ALA  46   1.267  14.873   2.977
 1483    H    LEU  47           H        LEU  47   3.990  12.767   1.056
 1484    HA   LEU  47           HA       LEU  47   4.401  10.305   2.658
 1485   1HB   LEU  47          1HB       LEU  47   4.485  10.935  -0.314
 1486   2HB   LEU  47          2HB       LEU  47   4.580   9.314   0.372
 1487    HG   LEU  47           HG       LEU  47   2.351  10.260   1.618
 1488   1HD1  LEU  47          1HD1      LEU  47   2.623  11.643  -1.044
 1489   2HD1  LEU  47          2HD1      LEU  47   2.156  12.333   0.509
 1490   3HD1  LEU  47          3HD1      LEU  47   1.038  11.283  -0.359
 1491   1HD2  LEU  47          1HD2      LEU  47   2.770   8.766  -0.955
 1492   2HD2  LEU  47          2HD2      LEU  47   1.140   9.071  -0.355
 1493   3HD2  LEU  47          3HD2      LEU  47   2.280   8.144   0.620
 1494    H    GLU  48           H        GLU  48   6.348  12.585   2.884
 1495    HA   GLU  48           HA       GLU  48   8.708  11.955   1.344
 1496   1HB   GLU  48          1HB       GLU  48   9.774  13.470   3.040
 1497   2HB   GLU  48          2HB       GLU  48   8.298  14.147   2.355
 1498   1HG   GLU  48          1HG       GLU  48   7.595  14.425   4.484
 1499   2HG   GLU  48          2HG       GLU  48   7.393  12.674   4.541
 1500    H    ASP  49           H        ASP  49   8.247   9.473   1.973
 1501    HA   ASP  49           HA       ASP  49  10.376   8.745   3.859
 1502   1HB   ASP  49          1HB       ASP  49   7.823   9.178   4.844
 1503   2HB   ASP  49          2HB       ASP  49   7.834   7.436   4.574
 1504    H    TYR  50           H        TYR  50   7.420   7.087   2.703
 1505    HA   TYR  50           HA       TYR  50   9.139   4.911   1.614
 1506   1HB   TYR  50          1HB       TYR  50   6.117   5.088   1.906
 1507   2HB   TYR  50          2HB       TYR  50   7.074   3.625   1.688
 1508    HD1  TYR  50           HD1      TYR  50   5.139   4.869   4.041
 1509    HD2  TYR  50           HD2      TYR  50   9.336   4.095   3.536
 1510    HE1  TYR  50           HE1      TYR  50   5.402   4.679   6.501
 1511    HE2  TYR  50           HE2      TYR  50   9.597   3.907   5.994
 1512    HH   TYR  50           HH       TYR  50   7.896   3.266   7.976
 1513    H    LEU  51           H        LEU  51   8.920   7.505   0.231
 1514    HA   LEU  51           HA       LEU  51   7.238   6.871  -2.142
 1515   1HB   LEU  51          1HB       LEU  51   7.817   9.149  -0.607
 1516   2HB   LEU  51          2HB       LEU  51   8.707   9.400  -2.108
 1517    HG   LEU  51           HG       LEU  51   6.668   9.040  -3.414
 1518   1HD1  LEU  51          1HD1      LEU  51   4.525   9.053  -1.770
 1519   2HD1  LEU  51          2HD1      LEU  51   5.660   8.161  -0.758
 1520   3HD1  LEU  51          3HD1      LEU  51   5.256   7.563  -2.367
 1521   1HD2  LEU  51          1HD2      LEU  51   5.243  10.919  -2.147
 1522   2HD2  LEU  51          2HD2      LEU  51   6.756  11.304  -2.969
 1523   3HD2  LEU  51          3HD2      LEU  51   6.738  11.066  -1.221
 1524    H    PHE  52           H        PHE  52   8.282   5.812  -3.780
 1525    HA   PHE  52           HA       PHE  52  11.221   6.037  -4.100
 1526   1HB   PHE  52          1HB       PHE  52   8.966   4.400  -5.277
 1527   2HB   PHE  52          2HB       PHE  52  10.563   4.391  -6.025
 1528    HD1  PHE  52           HD1      PHE  52  12.404   3.233  -5.025
 1529    HD2  PHE  52           HD2      PHE  52   8.697   3.660  -2.897
 1530    HE1  PHE  52           HE1      PHE  52  13.190   1.602  -3.330
 1531    HE2  PHE  52           HE2      PHE  52   9.483   2.029  -1.202
 1532    HZ   PHE  52           HZ       PHE  52  11.729   1.000  -1.418
 1533    H    SER  53           H        SER  53  11.698   8.040  -5.045
 1534    HA   SER  53           HA       SER  53   9.945   9.109  -7.157
 1535   1HB   SER  53          1HB       SER  53  10.885  10.485  -5.309
 1536   2HB   SER  53          2HB       SER  53  12.511  10.136  -5.896
 1537    HG   SER  53           HG       SER  53  11.968  11.159  -7.840
 1538    H    ARG  54           H        ARG  54  10.463   9.249  -9.307
 1539    HA   ARG  54           HA       ARG  54  13.114   8.140 -10.170
 1540   1HB   ARG  54          1HB       ARG  54  10.764   6.916 -10.520
 1541   2HB   ARG  54          2HB       ARG  54  10.646   8.034 -11.879
 1542   1HG   ARG  54          1HG       ARG  54  12.541   7.138 -12.942
 1543   2HG   ARG  54          2HG       ARG  54  13.149   6.414 -11.453
 1544   1HD   ARG  54          1HD       ARG  54  12.058   4.485 -11.923
 1545   2HD   ARG  54          2HD       ARG  54  10.519   5.359 -12.052
 1546    HE   ARG  54           HE       ARG  54  11.801   6.038 -14.391
 1547   1HH1  ARG  54          1HH1      ARG  54  11.156   3.004 -12.810
 1548   2HH1  ARG  54          2HH1      ARG  54  11.088   2.120 -14.294
 1549   1HH2  ARG  54          1HH2      ARG  54  11.707   4.868 -16.304
 1550   2HH2  ARG  54          2HH2      ARG  54  11.397   3.165 -16.258
 1551    H    LYS  55           H        LYS  55  13.359   8.877 -12.668
 1552    HA   LYS  55           HA       LYS  55  13.462  11.783 -12.612
 1553   1HB   LYS  55          1HB       LYS  55  14.614   9.557 -14.005
 1554   2HB   LYS  55          2HB       LYS  55  13.965  10.673 -15.207
 1555   1HG   LYS  55          1HG       LYS  55  15.810  11.448 -12.925
 1556   2HG   LYS  55          2HG       LYS  55  16.311  11.226 -14.602
 1557   1HD   LYS  55          1HD       LYS  55  14.081  12.955 -14.688
 1558   2HD   LYS  55          2HD       LYS  55  15.092  13.538 -13.364
 1559   1HE   LYS  55          1HE       LYS  55  16.922  13.954 -14.777
 1560   2HE   LYS  55          2HE       LYS  55  16.351  12.812 -16.008
 1561   1HZ   LYS  55          1HZ       LYS  55  14.415  14.265 -16.352
 1562   2HZ   LYS  55          2HZ       LYS  55  15.870  15.069 -16.701
 1563   3HZ   LYS  55          3HZ       LYS  55  15.056  15.381 -15.244
 1564    H    ASN  56           H        ASN  56  11.088  12.111 -12.408
 1565    HA   ASN  56           HA       ASN  56   9.356  11.427 -14.666
 1566   1HB   ASN  56          1HB       ASN  56   9.084  14.067 -14.960
 1567   2HB   ASN  56          2HB       ASN  56  10.732  14.074 -14.333
 1568   1HD2  ASN  56          1HD2      ASN  56   8.722  12.557 -16.907
 1569   2HD2  ASN  56          2HD2      ASN  56  10.002  12.370 -18.006
 1570    H    MET  57           H        MET  57   9.444  11.314 -11.641
 1571    HA   MET  57           HA       MET  57   7.627  13.257 -10.543
 1572   1HB   MET  57          1HB       MET  57   5.572  11.860 -10.598
 1573   2HB   MET  57          2HB       MET  57   6.132  12.210 -12.230
 1574   1HG   MET  57          1HG       MET  57   7.366   9.797 -11.139
 1575   2HG   MET  57          2HG       MET  57   5.607   9.681 -11.184
 1576   1HE   MET  57          1HE       MET  57   4.193   9.399 -13.238
 1577   2HE   MET  57          2HE       MET  57   4.600  10.147 -14.783
 1578   3HE   MET  57          3HE       MET  57   4.475  11.137 -13.328
 1579    H    SER  58           H        SER  58   6.186  11.635  -8.768
 1580    HA   SER  58           HA       SER  58   8.322  10.098  -7.333
 1581   1HB   SER  58          1HB       SER  58   6.175  11.823  -6.068
 1582   2HB   SER  58          2HB       SER  58   7.629  11.184  -5.303
 1583    HG   SER  58           HG       SER  58   7.353  13.275  -7.155
 1584    H    ALA  59           H        ALA  59   7.609   8.148  -6.406
 1585    HA   ALA  59           HA       ALA  59   4.680   7.543  -6.657
 1586   1HB   ALA  59          1HB       ALA  59   5.487   6.212  -8.346
 1587   2HB   ALA  59          2HB       ALA  59   5.941   5.139  -7.022
 1588   3HB   ALA  59          3HB       ALA  59   7.132   6.244  -7.710
 1589    H    MET  60           H        MET  60   4.208   5.423  -5.343
 1590    HA   MET  60           HA       MET  60   5.599   5.626  -2.690
 1591   1HB   MET  60          1HB       MET  60   3.176   6.327  -2.874
 1592   2HB   MET  60          2HB       MET  60   2.791   4.682  -3.379
 1593   1HG   MET  60          1HG       MET  60   2.383   4.972  -0.967
 1594   2HG   MET  60          2HG       MET  60   3.678   3.812  -1.250
 1595   1HE   MET  60          1HE       MET  60   3.604   5.254   1.803
 1596   2HE   MET  60          2HE       MET  60   2.397   6.034   0.780
 1597   3HE   MET  60          3HE       MET  60   3.633   7.004   1.582
 1598    H    ALA  61           H        ALA  61   5.580   3.480  -1.474
 1599    HA   ALA  61           HA       ALA  61   6.503   1.338  -3.240
 1600   1HB   ALA  61          1HB       ALA  61   6.265   0.441  -0.571
 1601   2HB   ALA  61          2HB       ALA  61   6.632   2.162  -0.457
 1602   3HB   ALA  61          3HB       ALA  61   7.715   1.086  -1.341
 1603    H    LEU  62           H        LEU  62   3.682   1.881  -1.129
 1604    HA   LEU  62           HA       LEU  62   2.074   0.052  -2.710
 1605   1HB   LEU  62          1HB       LEU  62   0.932   0.781  -0.156
 1606   2HB   LEU  62          2HB       LEU  62   1.757   2.175  -0.856
 1607    HG   LEU  62           HG       LEU  62   0.544   1.592  -3.043
 1608   1HD1  LEU  62          1HD1      LEU  62  -0.546  -0.389  -3.002
 1609   2HD1  LEU  62          2HD1      LEU  62  -1.758   0.419  -2.007
 1610   3HD1  LEU  62          3HD1      LEU  62  -0.452  -0.487  -1.244
 1611   1HD2  LEU  62          1HD2      LEU  62  -1.248   2.986  -2.471
 1612   2HD2  LEU  62          2HD2      LEU  62  -0.066   3.376  -1.222
 1613   3HD2  LEU  62          3HD2      LEU  62  -1.405   2.286  -0.860
 1614    H    GLY  63           H        GLY  63   2.908  -2.067  -2.484
 1615   1HA   GLY  63          1HA       GLY  63   1.958  -3.556  -0.229
 1616   2HA   GLY  63          2HA       GLY  63   3.009  -4.189  -1.492
 1617    H    PHE  64           H        PHE  64   4.766  -5.063  -0.536
 1618    HA   PHE  64           HA       PHE  64   5.791  -4.023   2.018
 1619   1HB   PHE  64          1HB       PHE  64   6.543  -6.285   0.134
 1620   2HB   PHE  64          2HB       PHE  64   7.336  -6.012   1.684
 1621    HD1  PHE  64           HD1      PHE  64   6.089  -6.277   3.804
 1622    HD2  PHE  64           HD2      PHE  64   4.283  -7.140   0.004
 1623    HE1  PHE  64           HE1      PHE  64   4.258  -7.496   4.951
 1624    HE2  PHE  64           HE2      PHE  64   2.452  -8.358   1.150
 1625    HZ   PHE  64           HZ       PHE  64   2.440  -8.536   3.624
 1626    H    GLY  65           H        GLY  65   6.096  -2.071  -0.011
 1627   1HA   GLY  65          1HA       GLY  65   8.897  -2.262  -0.942
 1628   2HA   GLY  65          2HA       GLY  65   7.752  -0.990  -1.369
 1629    H    ALA  66           H        ALA  66   6.974  -0.708   1.523
 1630    HA   ALA  66           HA       ALA  66   9.130   1.178   2.248
 1631   1HB   ALA  66          1HB       ALA  66   6.536   0.566   3.694
 1632   2HB   ALA  66          2HB       ALA  66   6.587   1.580   2.252
 1633   3HB   ALA  66          3HB       ALA  66   7.450   2.072   3.708
 1634    H    ILE  67           H        ILE  67   7.632  -1.793   3.488
 1635    HA   ILE  67           HA       ILE  67   8.649  -1.991   6.065
 1636    HB   ILE  67           HB       ILE  67   8.705  -4.476   5.547
 1637   1HG1  ILE  67          1HG1      ILE  67   7.565  -4.693   3.082
 1638   2HG1  ILE  67          2HG1      ILE  67   8.691  -3.370   2.801
 1639   1HG2  ILE  67          1HG2      ILE  67   6.621  -3.353   6.196
 1640   2HG2  ILE  67          2HG2      ILE  67   6.304  -4.606   4.996
 1641   3HG2  ILE  67          3HG2      ILE  67   6.328  -2.910   4.514
 1642   1HD1  ILE  67          1HD1      ILE  67   9.875  -5.528   4.375
 1643   2HD1  ILE  67          2HD1      ILE  67  10.482  -4.738   2.920
 1644   3HD1  ILE  67          3HD1      ILE  67   9.329  -6.066   2.787
 1645    H    PHE  68           H        PHE  68  10.430  -2.554   3.033
 1646    HA   PHE  68           HA       PHE  68  12.765  -3.777   3.891
 1647   1HB   PHE  68          1HB       PHE  68  12.301  -1.473   1.973
 1648   2HB   PHE  68          2HB       PHE  68  13.827  -2.347   2.067
 1649    HD1  PHE  68           HD1      PHE  68  11.125  -2.117   0.066
 1650    HD2  PHE  68           HD2      PHE  68  13.156  -5.106   2.386
 1651    HE1  PHE  68           HE1      PHE  68  10.210  -3.887  -1.410
 1652    HE2  PHE  68           HE2      PHE  68  12.242  -6.876   0.910
 1653    HZ   PHE  68           HZ       PHE  68  10.769  -6.266  -0.988
 1654    H    ASN  69           H        ASN  69  14.361  -3.254   5.329
 1655    HA   ASN  69           HA       ASN  69  14.423  -0.460   6.403
 1656   1HB   ASN  69          1HB       ASN  69  15.317  -3.158   7.483
 1657   2HB   ASN  69          2HB       ASN  69  15.537  -1.634   8.342
 1658   1HD2  ASN  69          1HD2      ASN  69  13.367  -4.223   7.892
 1659   2HD2  ASN  69          2HD2      ASN  69  11.982  -3.493   8.548
 1660    H    HIS  70           H        HIS  70  16.822  -0.123   7.396
 1661    HA   HIS  70           HA       HIS  70  18.655  -0.302   5.069
 1662   1HB   HIS  70          1HB       HIS  70  18.182   1.818   6.353
 1663   2HB   HIS  70          2HB       HIS  70  18.930   1.075   7.767
 1664    HD1  HIS  70           HD1      HIS  70  19.762   2.258   4.270
 1665    HD2  HIS  70           HD2      HIS  70  21.739   1.056   7.737
 1666    HE1  HIS  70           HE1      HIS  70  22.216   2.765   3.907
 1667    H    SER  71           H        SER  71  20.187  -1.902   5.010
 1668    HA   SER  71           HA       SER  71  21.318  -2.911   7.576
 1669   1HB   SER  71          1HB       SER  71  20.268  -4.714   5.372
 1670   2HB   SER  71          2HB       SER  71  20.758  -5.184   6.999
 1671    HG   SER  71           HG       SER  71  18.537  -3.588   6.259
 1672    H    LYS  72           H        LYS  72  23.369  -4.037   7.254
 1673    HA   LYS  72           HA       LYS  72  24.824  -3.076   4.859
 1674   1HB   LYS  72          1HB       LYS  72  25.693  -4.498   7.401
 1675   2HB   LYS  72          2HB       LYS  72  26.778  -3.790   6.206
 1676   1HG   LYS  72          1HG       LYS  72  25.082  -1.696   6.714
 1677   2HG   LYS  72          2HG       LYS  72  25.173  -2.473   8.297
 1678   1HD   LYS  72          1HD       LYS  72  27.205  -1.557   8.603
 1679   2HD   LYS  72          2HD       LYS  72  27.799  -2.470   7.216
 1680   1HE   LYS  72          1HE       LYS  72  28.126  -0.448   6.220
 1681   2HE   LYS  72          2HE       LYS  72  26.361  -0.363   6.064
 1682   1HZ   LYS  72          1HZ       LYS  72  27.475   1.508   7.346
 1683   2HZ   LYS  72          2HZ       LYS  72  27.772   0.367   8.569
 1684   3HZ   LYS  72          3HZ       LYS  72  26.176   0.735   8.119
 1685    H    ASP  73           H        ASP  73  22.852  -5.409   4.811
 1686    HA   ASP  73           HA       ASP  73  24.580  -7.237   3.279
 1687   1HB   ASP  73          1HB       ASP  73  24.416  -7.704   5.921
 1688   2HB   ASP  73          2HB       ASP  73  22.921  -8.500   5.428
 1689    HA   PRO  74           HA       PRO  74  20.116  -6.590   1.947
 1690   1HB   PRO  74          1HB       PRO  74  20.872  -6.200  -0.722
 1691   2HB   PRO  74          2HB       PRO  74  20.519  -4.906   0.436
 1692   1HG   PRO  74          1HG       PRO  74  23.131  -5.982  -0.472
 1693   2HG   PRO  74          2HG       PRO  74  22.683  -4.331  -0.027
 1694   1HD   PRO  74          1HD       PRO  74  24.127  -5.954   1.592
 1695   2HD   PRO  74          2HD       PRO  74  23.024  -4.708   2.215
 1696    H    ASN  75           H        ASN  75  19.377  -8.690   1.934
 1697    HA   ASN  75           HA       ASN  75  20.797 -10.776   0.402
 1698   1HB   ASN  75          1HB       ASN  75  18.523 -10.617   2.385
 1699   2HB   ASN  75          2HB       ASN  75  18.824 -12.107   1.490
 1700   1HD2  ASN  75          1HD2      ASN  75  19.883 -13.467   2.961
 1701   2HD2  ASN  75          2HD2      ASN  75  21.236 -13.021   3.883
 1702    H    ALA  76           H        ALA  76  18.076  -8.647   0.044
 1703    HA   ALA  76           HA       ALA  76  17.473  -9.883  -2.580
 1704   1HB   ALA  76          1HB       ALA  76  15.158  -9.306  -0.779
 1705   2HB   ALA  76          2HB       ALA  76  16.112 -10.747  -0.428
 1706   3HB   ALA  76          3HB       ALA  76  15.334 -10.566  -2.001
 1707    H    ARG  77           H        ARG  77  17.348  -8.212  -3.997
 1708    HA   ARG  77           HA       ARG  77  16.754  -5.478  -3.003
 1709   1HB   ARG  77          1HB       ARG  77  18.218  -6.785  -5.181
 1710   2HB   ARG  77          2HB       ARG  77  17.243  -5.434  -5.755
 1711   1HG   ARG  77          1HG       ARG  77  18.249  -4.029  -3.921
 1712   2HG   ARG  77          2HG       ARG  77  19.333  -5.373  -3.560
 1713   1HD   ARG  77          1HD       ARG  77  20.282  -5.269  -5.812
 1714   2HD   ARG  77          2HD       ARG  77  19.119  -4.011  -6.272
 1715    HE   ARG  77           HE       ARG  77  20.344  -3.048  -3.954
 1716   1HH1  ARG  77          1HH1      ARG  77  21.389  -4.100  -7.103
 1717   2HH1  ARG  77          2HH1      ARG  77  22.765  -3.052  -7.118
 1718   1HH2  ARG  77          1HH2      ARG  77  22.137  -1.697  -3.996
 1719   2HH2  ARG  77          2HH2      ARG  77  23.187  -1.701  -5.374
 1720    H    HIS  78           H        HIS  78  15.535  -4.275  -5.091
 1721    HA   HIS  78           HA       HIS  78  13.075  -5.897  -5.645
 1722   1HB   HIS  78          1HB       HIS  78  11.796  -3.822  -5.174
 1723   2HB   HIS  78          2HB       HIS  78  12.761  -4.296  -3.776
 1724    HD1  HIS  78           HD1      HIS  78  14.871  -2.854  -3.229
 1725    HD2  HIS  78           HD2      HIS  78  12.618  -1.413  -6.427
 1726    HE1  HIS  78           HE1      HIS  78  15.704  -0.507  -3.693
 1727    H    GLU  79           H        GLU  79  12.047  -5.399  -7.658
 1728    HA   GLU  79           HA       GLU  79  13.721  -3.747  -9.522
 1729   1HB   GLU  79          1HB       GLU  79  13.709  -6.200  -9.932
 1730   2HB   GLU  79          2HB       GLU  79  11.950  -6.163 -10.044
 1731   1HG   GLU  79          1HG       GLU  79  12.433  -5.948 -12.284
 1732   2HG   GLU  79          2HG       GLU  79  12.511  -4.243 -11.837
 1733    H    LEU  80           H        LEU  80  12.628  -2.221 -10.780
 1734    HA   LEU  80           HA       LEU  80   9.701  -1.927 -10.221
 1735   1HB   LEU  80          1HB       LEU  80  11.090  -0.148  -9.307
 1736   2HB   LEU  80          2HB       LEU  80  11.926   0.047 -10.848
 1737    HG   LEU  80           HG       LEU  80   9.818   0.753 -11.906
 1738   1HD1  LEU  80          1HD1      LEU  80   7.854   0.221 -10.944
 1739   2HD1  LEU  80          2HD1      LEU  80   8.234   1.289  -9.594
 1740   3HD1  LEU  80          3HD1      LEU  80   8.707  -0.408  -9.535
 1741   1HD2  LEU  80          1HD2      LEU  80  11.312   2.433 -10.822
 1742   2HD2  LEU  80          2HD2      LEU  80  10.368   2.276  -9.341
 1743   3HD2  LEU  80          3HD2      LEU  80   9.618   2.925 -10.799
 1744    H    THR  81           H        THR  81   8.349  -2.041 -11.981
 1745    HA   THR  81           HA       THR  81   9.168  -2.896 -14.541
 1746    HB   THR  81           HB       THR  81   6.838  -1.978 -15.152
 1747    HG1  THR  81           HG1      THR  81   5.661  -1.281 -13.296
 1748   1HG2  THR  81          1HG2      THR  81   6.365  -3.478 -12.679
 1749   2HG2  THR  81          2HG2      THR  81   7.633  -4.187 -13.678
 1750   3HG2  THR  81          3HG2      THR  81   6.022  -3.931 -14.348
 1751    H    ALA  82           H        ALA  82   8.413  -1.403 -16.560
 1752    HA   ALA  82           HA       ALA  82  10.376   0.557 -17.000
 1753   1HB   ALA  82          1HB       ALA  82   7.978  -0.494 -18.227
 1754   2HB   ALA  82          2HB       ALA  82   9.376   0.243 -19.011
 1755   3HB   ALA  82          3HB       ALA  82   8.038   1.253 -18.463
 1756    H    GLY  83           H        GLY  83   7.362   0.822 -15.253
 1757   1HA   GLY  83          1HA       GLY  83   7.909   3.738 -14.876
 1758   2HA   GLY  83          2HA       GLY  83   6.267   3.115 -15.035
 1759    H    LEU  84           H        LEU  84   6.021   4.169 -12.855
 1760    HA   LEU  84           HA       LEU  84   7.240   2.601 -10.624
 1761   1HB   LEU  84          1HB       LEU  84   5.737   5.240 -10.789
 1762   2HB   LEU  84          2HB       LEU  84   6.380   4.558  -9.296
 1763    HG   LEU  84           HG       LEU  84   8.245   4.820 -11.612
 1764   1HD1  LEU  84          1HD1      LEU  84   8.101   7.204  -9.883
 1765   2HD1  LEU  84          2HD1      LEU  84   6.713   7.004 -10.954
 1766   3HD1  LEU  84          3HD1      LEU  84   8.341   7.092 -11.627
 1767   1HD2  LEU  84          1HD2      LEU  84   9.851   4.760  -9.965
 1768   2HD2  LEU  84          2HD2      LEU  84   8.554   3.953  -9.084
 1769   3HD2  LEU  84          3HD2      LEU  84   8.862   5.670  -8.823
 1770    H    LYS  85           H        LYS  85   5.175   1.327 -12.148
 1771    HA   LYS  85           HA       LYS  85   2.673   1.673 -10.613
 1772   1HB   LYS  85          1HB       LYS  85   3.605   0.595 -13.176
 1773   2HB   LYS  85          2HB       LYS  85   2.368  -0.407 -12.418
 1774   1HG   LYS  85          1HG       LYS  85   0.912   1.570 -12.178
 1775   2HG   LYS  85          2HG       LYS  85   2.158   2.582 -12.907
 1776   1HD   LYS  85          1HD       LYS  85   1.871   0.507 -14.731
 1777   2HD   LYS  85          2HD       LYS  85   0.218   0.810 -14.195
 1778   1HE   LYS  85          1HE       LYS  85   1.563   3.334 -14.606
 1779   2HE   LYS  85          2HE       LYS  85   1.702   2.335 -16.065
 1780   1HZ   LYS  85          1HZ       LYS  85  -0.687   1.842 -15.857
 1781   2HZ   LYS  85          2HZ       LYS  85  -0.401   3.500 -16.083
 1782   3HZ   LYS  85          3HZ       LYS  85  -0.789   2.908 -14.539
 1783    H    ARG  86           H        ARG  86   4.506  -1.244 -11.625
 1784    HA   ARG  86           HA       ARG  86   3.610  -2.556  -9.095
 1785   1HB   ARG  86          1HB       ARG  86   4.214  -3.333 -11.902
 1786   2HB   ARG  86          2HB       ARG  86   4.665  -4.514 -10.672
 1787   1HG   ARG  86          1HG       ARG  86   2.494  -4.973 -10.137
 1788   2HG   ARG  86          2HG       ARG  86   1.990  -3.293 -10.324
 1789   1HD   ARG  86          1HD       ARG  86   1.272  -3.679 -12.444
 1790   2HD   ARG  86          2HD       ARG  86   2.798  -4.473 -12.877
 1791    HE   ARG  86           HE       ARG  86   0.373  -5.814 -11.942
 1792   1HH1  ARG  86          1HH1      ARG  86   3.848  -5.933 -12.108
 1793   2HH1  ARG  86          2HH1      ARG  86   3.907  -7.655 -11.955
 1794   1HH2  ARG  86          1HH2      ARG  86   0.475  -8.051 -11.745
 1795   2HH2  ARG  86          2HH2      ARG  86   2.014  -8.846 -11.751
 1796    H    MET  87           H        MET  87   5.134  -3.575  -7.729
 1797    HA   MET  87           HA       MET  87   8.003  -2.872  -8.258
 1798   1HB   MET  87          1HB       MET  87   6.196  -2.451  -6.055
 1799   2HB   MET  87          2HB       MET  87   7.503  -3.507  -5.519
 1800   1HG   MET  87          1HG       MET  87   9.067  -1.805  -6.709
 1801   2HG   MET  87          2HG       MET  87   7.681  -0.717  -6.645
 1802   1HE   MET  87          1HE       MET  87  10.396  -2.698  -4.424
 1803   2HE   MET  87          2HE       MET  87  10.800  -1.142  -3.699
 1804   3HE   MET  87          3HE       MET  87  10.703  -1.299  -5.453
 1805    H    ARG  88           H        ARG  88   9.586  -4.490  -7.575
 1806    HA   ARG  88           HA       ARG  88   8.451  -7.257  -7.340
 1807   1HB   ARG  88          1HB       ARG  88  10.100  -5.982  -9.341
 1808   2HB   ARG  88          2HB       ARG  88  10.995  -7.303  -8.588
 1809   1HG   ARG  88          1HG       ARG  88   9.160  -8.853  -9.059
 1810   2HG   ARG  88          2HG       ARG  88   8.192  -7.539  -9.729
 1811   1HD   ARG  88          1HD       ARG  88   9.433  -7.449 -11.685
 1812   2HD   ARG  88          2HD       ARG  88  10.924  -7.977 -10.881
 1813    HE   ARG  88           HE       ARG  88  10.243 -10.224 -11.217
 1814   1HH1  ARG  88          1HH1      ARG  88   7.578  -8.031 -11.674
 1815   2HH1  ARG  88          2HH1      ARG  88   6.515  -9.269 -12.246
 1816   1HH2  ARG  88          1HH2      ARG  88   8.843 -11.813 -11.962
 1817   2HH2  ARG  88          2HH2      ARG  88   7.223 -11.394 -12.408
 1818    H    ILE  89           H        ILE  89  10.212  -8.819  -6.547
 1819    HA   ILE  89           HA       ILE  89  12.205  -7.537  -4.742
 1820    HB   ILE  89           HB       ILE  89  10.136  -9.595  -3.881
 1821   1HG1  ILE  89          1HG1      ILE  89  10.241  -6.586  -3.508
 1822   2HG1  ILE  89          2HG1      ILE  89   9.000  -7.506  -4.349
 1823   1HG2  ILE  89          1HG2      ILE  89  11.710  -7.867  -2.011
 1824   2HG2  ILE  89          2HG2      ILE  89  12.529  -9.236  -2.764
 1825   3HG2  ILE  89          3HG2      ILE  89  11.094  -9.502  -1.774
 1826   1HD1  ILE  89          1HD1      ILE  89   9.014  -6.790  -1.619
 1827   2HD1  ILE  89          2HD1      ILE  89   9.308  -8.528  -1.664
 1828   3HD1  ILE  89          3HD1      ILE  89   7.873  -7.857  -2.438
 1829    H    PHE  90           H        PHE  90  13.836  -8.477  -6.092
 1830    HA   PHE  90           HA       PHE  90  13.834 -11.435  -6.425
 1831   1HB   PHE  90          1HB       PHE  90  14.979  -9.031  -7.719
 1832   2HB   PHE  90          2HB       PHE  90  16.061 -10.421  -7.685
 1833    HD1  PHE  90           HD1      PHE  90  14.948 -12.722  -8.368
 1834    HD2  PHE  90           HD2      PHE  90  13.417  -8.854  -9.436
 1835    HE1  PHE  90           HE1      PHE  90  13.687 -13.740 -10.246
 1836    HE2  PHE  90           HE2      PHE  90  12.158  -9.871 -11.315
 1837    HZ   PHE  90           HZ       PHE  90  12.293 -12.314 -11.720
 1838    H    THR  91           H        THR  91  15.595 -12.711  -5.642
 1839    HA   THR  91           HA       THR  91  16.992 -11.595  -3.290
 1840    HB   THR  91           HB       THR  91  17.789 -14.092  -3.294
 1841    HG1  THR  91           HG1      THR  91  15.525 -14.489  -4.892
 1842   1HG2  THR  91          1HG2      THR  91  14.994 -13.061  -2.863
 1843   2HG2  THR  91          2HG2      THR  91  16.205 -13.517  -1.665
 1844   3HG2  THR  91          3HG2      THR  91  15.362 -14.764  -2.584
 1845    H    ILE  92           H        ILE  92  18.912 -10.528  -3.690
 1846    HA   ILE  92           HA       ILE  92  20.455 -10.973  -6.116
 1847    HB   ILE  92           HB       ILE  92  21.929  -9.280  -5.078
 1848   1HG1  ILE  92          1HG1      ILE  92  20.160  -9.256  -2.649
 1849   2HG1  ILE  92          2HG1      ILE  92  21.518 -10.378  -2.725
 1850   1HG2  ILE  92          1HG2      ILE  92  20.210  -8.098  -6.036
 1851   2HG2  ILE  92          2HG2      ILE  92  19.882  -7.687  -4.352
 1852   3HG2  ILE  92          3HG2      ILE  92  18.968  -8.973  -5.140
 1853   1HD1  ILE  92          1HD1      ILE  92  22.860  -8.687  -2.080
 1854   2HD1  ILE  92          2HD1      ILE  92  21.542  -7.524  -2.230
 1855   3HD1  ILE  92          3HD1      ILE  92  22.535  -7.916  -3.634
 1856    H    LYS  93           H        LYS  93  20.350 -12.530  -3.052
 1857    HA   LYS  93           HA       LYS  93  22.772 -14.091  -3.768
 1858   1HB   LYS  93          1HB       LYS  93  23.663 -13.726  -1.465
 1859   2HB   LYS  93          2HB       LYS  93  23.530 -12.211  -2.359
 1860   1HG   LYS  93          1HG       LYS  93  21.577 -11.563  -1.185
 1861   2HG   LYS  93          2HG       LYS  93  21.296 -13.196  -0.582
 1862   1HD   LYS  93          1HD       LYS  93  22.205 -11.891   1.239
 1863   2HD   LYS  93          2HD       LYS  93  23.463 -13.002   0.700
 1864   1HE   LYS  93          1HE       LYS  93  24.800 -11.301  -0.051
 1865   2HE   LYS  93          2HE       LYS  93  23.425 -10.385  -0.697
 1866   1HZ   LYS  93          1HZ       LYS  93  22.820  -9.696   1.481
 1867   2HZ   LYS  93          2HZ       LYS  93  24.484  -9.394   1.332
 1868   3HZ   LYS  93          3HZ       LYS  93  23.942 -10.745   2.207
 1869    HA   PRO  94           HA       PRO  94  20.393 -17.473  -2.313
 1870   1HB   PRO  94          1HB       PRO  94  22.768 -18.483  -0.839
 1871   2HB   PRO  94          2HB       PRO  94  21.854 -19.248  -2.150
 1872   1HG   PRO  94          1HG       PRO  94  24.307 -18.215  -2.516
 1873   2HG   PRO  94          2HG       PRO  94  23.072 -18.203  -3.782
 1874   1HD   PRO  94          1HD       PRO  94  24.040 -15.978  -2.057
 1875   2HD   PRO  94          2HD       PRO  94  23.477 -15.945  -3.741
 1876    H    ILE  95           H        ILE  95  18.957 -17.382  -0.630
 1877    HA   ILE  95           HA       ILE  95  19.952 -16.417   2.027
 1878    HB   ILE  95           HB       ILE  95  17.196 -16.401   0.741
 1879   1HG1  ILE  95          1HG1      ILE  95  19.173 -14.167   1.290
 1880   2HG1  ILE  95          2HG1      ILE  95  18.785 -14.827  -0.298
 1881   1HG2  ILE  95          1HG2      ILE  95  16.485 -16.192   2.881
 1882   2HG2  ILE  95          2HG2      ILE  95  17.230 -14.594   2.849
 1883   3HG2  ILE  95          3HG2      ILE  95  18.128 -15.972   3.484
 1884   1HD1  ILE  95          1HD1      ILE  95  17.456 -12.844  -0.043
 1885   2HD1  ILE  95          2HD1      ILE  95  16.944 -13.321   1.576
 1886   3HD1  ILE  95          3HD1      ILE  95  16.361 -14.209   0.169
 1887    H    ALA  96           H        ALA  96  19.417 -17.631   3.881
 1888    HA   ALA  96           HA       ALA  96  18.474 -20.412   3.356
 1889   1HB   ALA  96          1HB       ALA  96  19.443 -20.680   5.721
 1890   2HB   ALA  96          2HB       ALA  96  19.994 -19.011   5.576
 1891   3HB   ALA  96          3HB       ALA  96  20.601 -20.239   4.465
 1892    H    ILE  97           H        ILE  97  16.878 -21.347   4.811
 1893    HA   ILE  97           HA       ILE  97  14.594 -19.730   5.309
 1894    HB   ILE  97           HB       ILE  97  15.445 -22.341   6.617
 1895   1HG1  ILE  97          1HG1      ILE  97  13.669 -22.759   4.446
 1896   2HG1  ILE  97          2HG1      ILE  97  14.932 -21.680   3.860
 1897   1HG2  ILE  97          1HG2      ILE  97  12.633 -21.909   5.884
 1898   2HG2  ILE  97          2HG2      ILE  97  13.219 -20.783   7.108
 1899   3HG2  ILE  97          3HG2      ILE  97  13.319 -22.521   7.389
 1900   1HD1  ILE  97          1HD1      ILE  97  15.239 -24.345   3.874
 1901   2HD1  ILE  97          2HD1      ILE  97  15.789 -24.008   5.515
 1902   3HD1  ILE  97          3HD1      ILE  97  16.595 -23.249   4.143
 1903    H    GLY  98           H        GLY  98  14.597 -18.053   6.761
 1904   1HA   GLY  98          1HA       GLY  98  14.354 -17.585   9.208
 1905   2HA   GLY  98          2HA       GLY  98  15.798 -18.569   9.453
 1906    H    GLU  99           H        GLU  99  15.430 -16.287   6.796
 1907    HA   GLU  99           HA       GLU  99  17.624 -14.643   8.015
 1908   1HB   GLU  99          1HB       GLU  99  16.980 -15.708   5.308
 1909   2HB   GLU  99          2HB       GLU  99  17.667 -14.084   5.352
 1910   1HG   GLU  99          1HG       GLU  99  18.876 -16.496   6.737
 1911   2HG   GLU  99          2HG       GLU  99  19.408 -15.873   5.176
 1912    H    GLU 100           H        GLU 100  17.551 -12.296   7.161
 1913    HA   GLU 100           HA       GLU 100  14.706 -11.350   7.181
 1914   1HB   GLU 100          1HB       GLU 100  16.577 -10.797   8.978
 1915   2HB   GLU 100          2HB       GLU 100  17.109  -9.633   7.764
 1916   1HG   GLU 100          1HG       GLU 100  14.264  -9.443   7.982
 1917   2HG   GLU 100          2HG       GLU 100  14.937  -9.392   9.610
 1918    H    ILE 101           H        ILE 101  14.023 -10.016   5.498
 1919    HA   ILE 101           HA       ILE 101  16.002  -9.583   3.298
 1920    HB   ILE 101           HB       ILE 101  12.966  -9.649   3.246
 1921   1HG1  ILE 101          1HG1      ILE 101  14.990 -11.797   2.560
 1922   2HG1  ILE 101          2HG1      ILE 101  13.894 -11.817   3.940
 1923   1HG2  ILE 101          1HG2      ILE 101  13.105  -9.245   1.020
 1924   2HG2  ILE 101          2HG2      ILE 101  14.517 -10.285   0.836
 1925   3HG2  ILE 101          3HG2      ILE 101  14.714  -8.622   1.388
 1926   1HD1  ILE 101          1HD1      ILE 101  13.363 -12.836   1.387
 1927   2HD1  ILE 101          2HD1      ILE 101  12.461 -11.322   1.455
 1928   3HD1  ILE 101          3HD1      ILE 101  12.184 -12.568   2.672
 1929    H    THR 102           H        THR 102  16.667  -7.541   3.018
 1930    HA   THR 102           HA       THR 102  14.797  -5.265   3.383
 1931    HB   THR 102           HB       THR 102  16.508  -4.159   4.855
 1932    HG1  THR 102           HG1      THR 102  18.204  -5.389   5.600
 1933   1HG2  THR 102          1HG2      THR 102  15.936  -5.371   6.852
 1934   2HG2  THR 102          2HG2      THR 102  15.689  -6.863   5.945
 1935   3HG2  THR 102          3HG2      THR 102  14.563  -5.519   5.755
 1936    H    ILE 103           H        ILE 103  15.373  -3.526   1.997
 1937    HA   ILE 103           HA       ILE 103  17.752  -4.036   0.246
 1938    HB   ILE 103           HB       ILE 103  16.462  -2.817  -1.451
 1939   1HG1  ILE 103          1HG1      ILE 103  13.941  -2.572  -0.092
 1940   2HG1  ILE 103          2HG1      ILE 103  15.177  -1.713   0.828
 1941   1HG2  ILE 103          1HG2      ILE 103  15.718  -5.271  -0.278
 1942   2HG2  ILE 103          2HG2      ILE 103  15.330  -4.710  -1.905
 1943   3HG2  ILE 103          3HG2      ILE 103  14.209  -4.408  -0.577
 1944   1HD1  ILE 103          1HD1      ILE 103  14.040  -1.099  -1.820
 1945   2HD1  ILE 103          2HD1      ILE 103  15.799  -0.999  -1.751
 1946   3HD1  ILE 103          3HD1      ILE 103  14.817  -0.028  -0.654
 1947    H    SER 104           H        SER 104  18.701  -1.934  -0.670
 1948    HA   SER 104           HA       SER 104  19.116  -0.034   1.578
 1949   1HB   SER 104          1HB       SER 104  20.735  -1.294  -0.300
 1950   2HB   SER 104          2HB       SER 104  20.599   0.346  -0.934
 1951    HG   SER 104           HG       SER 104  22.287   0.317   0.500
 1952    H    TYR 105           H        TYR 105  19.767   2.284   0.296
 1953    HA   TYR 105           HA       TYR 105  17.274   3.012  -1.215
 1954   1HB   TYR 105          1HB       TYR 105  18.884   4.782   0.657
 1955   2HB   TYR 105          2HB       TYR 105  17.270   5.088   0.020
 1956    HD1  TYR 105           HD1      TYR 105  15.871   2.561   0.400
 1957    HD2  TYR 105           HD2      TYR 105  18.688   4.533   2.975
 1958    HE1  TYR 105           HE1      TYR 105  14.882   1.413   2.362
 1959    HE2  TYR 105           HE2      TYR 105  17.698   3.385   4.937
 1960    HH   TYR 105           HH       TYR 105  14.735   1.874   4.878
 1961    H    GLY 106           H        GLY 106  20.486   4.427  -0.470
 1962   1HA   GLY 106          1HA       GLY 106  22.133   5.276  -1.914
 1963   2HA   GLY 106          2HA       GLY 106  21.342   4.403  -3.225
 1964    H    ASP 107           H        ASP 107  22.008   6.536  -4.317
 1965    HA   ASP 107           HA       ASP 107  21.266   8.486  -5.411
 1966   1HB   ASP 107          1HB       ASP 107  19.103   6.975  -5.176
 1967   2HB   ASP 107          2HB       ASP 107  18.617   8.210  -4.015
 1968    H    ASP 108           H        ASP 108  19.448   8.608  -2.317
 1969    HA   ASP 108           HA       ASP 108  21.098  10.957  -1.512
 1970   1HB   ASP 108          1HB       ASP 108  18.430  10.949  -2.611
 1971   2HB   ASP 108          2HB       ASP 108  18.349  11.495  -0.938
 1972    H    TYR 109           H        TYR 109  18.555   8.623  -0.614
 1973    HA   TYR 109           HA       TYR 109  18.250   9.073   2.101
 1974   1HB   TYR 109          1HB       TYR 109  18.112   6.819   0.218
 1975   2HB   TYR 109          2HB       TYR 109  18.383   6.312   1.884
 1976    HD1  TYR 109           HD1      TYR 109  16.799   7.060   3.687
 1977    HD2  TYR 109           HD2      TYR 109  16.011   7.722  -0.483
 1978    HE1  TYR 109           HE1      TYR 109  14.411   7.481   4.205
 1979    HE2  TYR 109           HE2      TYR 109  13.622   8.144   0.036
 1980    HH   TYR 109           HH       TYR 109  12.018   7.863   1.661
 1981    H    TRP 110           H        TRP 110  19.945   9.578   3.448
 1982    HA   TRP 110           HA       TRP 110  21.942   9.332   4.665
 1983   1HB   TRP 110          1HB       TRP 110  21.140   6.479   4.009
 1984   2HB   TRP 110          2HB       TRP 110  22.389   6.889   5.185
 1985    HD1  TRP 110           HD1      TRP 110  18.767   8.110   4.513
 1986    HE1  TRP 110           HE1      TRP 110  17.552   8.278   6.781
 1987    HE3  TRP 110           HE3      TRP 110  22.520   6.613   7.637
 1988    HZ2  TRP 110           HZ2      TRP 110  18.100   7.834   9.553
 1989    HZ3  TRP 110           HZ3      TRP 110  22.146   6.494  10.083
 1990    HH2  TRP 110           HH2      TRP 110  19.944   7.103  11.045
 1991    H    LEU 111           H        LEU 111  22.846   6.405   2.951
 1992    HA   LEU 111           HA       LEU 111  25.221   7.823   1.906
 1993   1HB   LEU 111          1HB       LEU 111  24.415   5.136   2.745
 1994   2HB   LEU 111          2HB       LEU 111  25.327   5.110   1.235
 1995    HG   LEU 111           HG       LEU 111  26.419   6.916   3.302
 1996   1HD1  LEU 111          1HD1      LEU 111  25.577   4.354   4.126
 1997   2HD1  LEU 111          2HD1      LEU 111  26.671   5.440   4.984
 1998   3HD1  LEU 111          3HD1      LEU 111  27.319   4.227   3.880
 1999   1HD2  LEU 111          1HD2      LEU 111  27.382   4.953   1.249
 2000   2HD2  LEU 111          2HD2      LEU 111  28.473   5.431   2.550
 2001   3HD2  LEU 111          3HD2      LEU 111  27.814   6.650   1.458
 2002    H    SER 112           H        SER 112  25.918   6.645  -0.347
 2003    HA   SER 112           HA       SER 112  23.570   6.614  -2.194
 2004   1HB   SER 112          1HB       SER 112  25.470   8.718  -1.809
 2005   2HB   SER 112          2HB       SER 112  25.790   7.999  -3.388
 2006    HG   SER 112           HG       SER 112  23.992   8.793  -4.101
 2007    H    ARG 113           H        ARG 113  27.124   6.217  -1.955
 2008    HA   ARG 113           HA       ARG 113  26.864   3.741  -3.611
 2009   1HB   ARG 113          1HB       ARG 113  27.655   6.067  -4.690
 2010   2HB   ARG 113          2HB       ARG 113  29.200   5.580  -3.992
 2011   1HG   ARG 113          1HG       ARG 113  28.143   3.264  -5.212
 2012   2HG   ARG 113          2HG       ARG 113  27.882   4.575  -6.363
 2013   1HD   ARG 113          1HD       ARG 113  30.232   5.149  -6.355
 2014   2HD   ARG 113          2HD       ARG 113  30.547   4.046  -5.002
 2015    HE   ARG 113           HE       ARG 113  29.375   2.403  -6.879
 2016   1HH1  ARG 113          1HH1      ARG 113  32.026   4.658  -6.967
 2017   2HH1  ARG 113          2HH1      ARG 113  32.868   3.789  -8.202
 2018   1HH2  ARG 113          1HH2      ARG 113  30.489   1.292  -8.482
 2019   2HH2  ARG 113          2HH2      ARG 113  32.007   1.898  -9.055
 2020    HA   PRO 114           HA       PRO 114  29.565   3.519   0.281
 2021   1HB   PRO 114          1HB       PRO 114  28.154   1.375   1.372
 2022   2HB   PRO 114          2HB       PRO 114  27.910   3.073   1.818
 2023   1HG   PRO 114          1HG       PRO 114  26.332   1.342  -0.010
 2024   2HG   PRO 114          2HG       PRO 114  25.788   2.619   1.087
 2025   1HD   PRO 114          1HD       PRO 114  25.983   2.956  -1.598
 2026   2HD   PRO 114          2HD       PRO 114  26.210   4.283  -0.439
 2027    H    ARG 115           H        ARG 115  28.211   1.266  -2.039
 2028    HA   ARG 115           HA       ARG 115  29.123  -0.674  -3.034
 2029   1HB   ARG 115          1HB       ARG 115  31.367   1.172  -2.299
 2030   2HB   ARG 115          2HB       ARG 115  31.792  -0.440  -2.875
 2031   1HG   ARG 115          1HG       ARG 115  29.936   1.466  -4.332
 2032   2HG   ARG 115          2HG       ARG 115  31.643   1.246  -4.718
 2033   1HD   ARG 115          1HD       ARG 115  30.616  -1.362  -4.623
 2034   2HD   ARG 115          2HD       ARG 115  29.373  -0.419  -5.467
 2035    HE   ARG 115           HE       ARG 115  32.005   0.323  -6.390
 2036   1HH1  ARG 115          1HH1      ARG 115  29.598  -2.183  -6.603
 2037   2HH1  ARG 115          2HH1      ARG 115  30.112  -2.695  -8.173
 2038   1HH2  ARG 115          1HH2      ARG 115  32.653  -0.359  -8.426
 2039   2HH2  ARG 115          2HH2      ARG 115  31.828  -1.671  -9.199
 2040    H    LEU 116           H        LEU 116  28.206  -1.943  -1.159
 2041    HA   LEU 116           HA       LEU 116  30.034  -2.667   1.025
 2042   1HB   LEU 116          1HB       LEU 116  27.271  -2.626   0.516
 2043   2HB   LEU 116          2HB       LEU 116  27.673  -4.339   0.631
 2044    HG   LEU 116           HG       LEU 116  28.865  -2.527   2.677
 2045   1HD1  LEU 116          1HD1      LEU 116  26.749  -1.621   2.963
 2046   2HD1  LEU 116          2HD1      LEU 116  26.608  -3.059   3.975
 2047   3HD1  LEU 116          3HD1      LEU 116  25.937  -3.059   2.344
 2048   1HD2  LEU 116          1HD2      LEU 116  29.379  -4.591   3.430
 2049   2HD2  LEU 116          2HD2      LEU 116  28.305  -5.346   2.252
 2050   3HD2  LEU 116          3HD2      LEU 116  27.669  -4.803   3.805
 2051    H    THR 117           H        THR 117  30.389  -5.084   1.437
 2052    HA   THR 117           HA       THR 117  31.392  -7.103   0.738
 2053    HB   THR 117           HB       THR 117  29.353  -6.589  -1.461
 2054    HG1  THR 117           HG1      THR 117  28.562  -6.715   0.694
 2055   1HG2  THR 117          1HG2      THR 117  31.050  -8.972  -0.767
 2056   2HG2  THR 117          2HG2      THR 117  30.680  -8.297  -2.354
 2057   3HG2  THR 117          3HG2      THR 117  29.452  -9.206  -1.474
 2058    H    GLN 118           H        GLN 118  32.356  -4.370  -0.422
 2059    HA   GLN 118           HA       GLN 118  34.468  -5.454  -2.069
 2060   1HB   GLN 118          1HB       GLN 118  32.407  -5.597  -3.544
 2061   2HB   GLN 118          2HB       GLN 118  32.312  -3.840  -3.476
 2062   1HG   GLN 118          1HG       GLN 118  33.515  -4.299  -5.470
 2063   2HG   GLN 118          2HG       GLN 118  34.754  -3.852  -4.297
 2064   1HE2  GLN 118          1HE2      GLN 118  33.963  -6.202  -6.583
 2065   2HE2  GLN 118          2HE2      GLN 118  34.943  -7.463  -6.008
 2066    H    ASN 119           H        ASN 119  36.049  -3.836  -2.541
 2067    HA   ASN 119           HA       ASN 119  37.221  -1.829  -2.110
 2068   1HB   ASN 119          1HB       ASN 119  35.220  -1.288  -3.707
 2069   2HB   ASN 119          2HB       ASN 119  34.503  -0.521  -2.291
 2070   1HD2  ASN 119          1HD2      ASN 119  37.541  -0.504  -4.231
 2071   2HD2  ASN 119          2HD2      ASN 119  37.891   1.131  -3.943
 2072   1H    GLY 201          1H        GLY 201  25.812  36.120  12.545
 2073   2H    GLY 201          2H        GLY 201  25.769  36.239  14.238
 2074   3H    GLY 201          3H        GLY 201  24.369  35.803  13.382
 2075   1HA   GLY 201          1HA       GLY 201  26.781  34.143  13.131
 2076   2HA   GLY 201          2HA       GLY 201  25.763  33.983  14.562
 2077    H    LYS 202           H        LYS 202  24.600  34.830  11.331
 2078    HA   LYS 202           HA       LYS 202  23.078  32.243  11.311
 2079   1HB   LYS 202          1HB       LYS 202  22.446  35.097  10.770
 2080   2HB   LYS 202          2HB       LYS 202  21.714  33.938   9.661
 2081   1HG   LYS 202          1HG       LYS 202  20.566  32.823  11.404
 2082   2HG   LYS 202          2HG       LYS 202  21.589  33.538  12.649
 2083   1HD   LYS 202          1HD       LYS 202  19.794  35.206  10.875
 2084   2HD   LYS 202          2HD       LYS 202  19.243  34.537  12.411
 2085   1HE   LYS 202          1HE       LYS 202  21.354  35.651  13.432
 2086   2HE   LYS 202          2HE       LYS 202  21.410  36.589  11.927
 2087   1HZ   LYS 202          1HZ       LYS 202  18.988  37.048  12.304
 2088   2HZ   LYS 202          2HZ       LYS 202  20.027  37.779  13.431
 2089   3HZ   LYS 202          3HZ       LYS 202  19.159  36.383  13.857
 2090    H    ALA 203           H        ALA 203  25.096  34.460   9.467
 2091    HA   ALA 203           HA       ALA 203  26.102  34.236   7.342
 2092   1HB   ALA 203          1HB       ALA 203  26.987  32.029   6.994
 2093   2HB   ALA 203          2HB       ALA 203  25.649  31.284   7.870
 2094   3HB   ALA 203          3HB       ALA 203  26.862  32.221   8.743
 2095    HA   PRO 204           HA       PRO 204  21.797  33.317   5.603
 2096   1HB   PRO 204          1HB       PRO 204  22.186  36.032   4.461
 2097   2HB   PRO 204          2HB       PRO 204  20.774  35.359   5.294
 2098   1HG   PRO 204          1HG       PRO 204  22.396  37.177   6.431
 2099   2HG   PRO 204          2HG       PRO 204  21.565  35.924   7.363
 2100   1HD   PRO 204          1HD       PRO 204  24.425  36.109   6.566
 2101   2HD   PRO 204          2HD       PRO 204  23.697  35.416   8.030
 2102    H    ARG 205           H        ARG 205  24.633  34.980   4.223
 2103    HA   ARG 205           HA       ARG 205  24.215  34.530   1.482
 2104   1HB   ARG 205          1HB       ARG 205  26.465  34.943   3.356
 2105   2HB   ARG 205          2HB       ARG 205  26.923  34.168   1.839
 2106   1HG   ARG 205          1HG       ARG 205  25.595  36.016   0.665
 2107   2HG   ARG 205          2HG       ARG 205  25.555  36.839   2.225
 2108   1HD   ARG 205          1HD       ARG 205  28.245  35.896   1.540
 2109   2HD   ARG 205          2HD       ARG 205  27.603  37.054   0.359
 2110    HE   ARG 205           HE       ARG 205  26.936  38.021   2.940
 2111   1HH1  ARG 205          1HH1      ARG 205  29.767  37.388   1.015
 2112   2HH1  ARG 205          2HH1      ARG 205  30.700  38.627   1.782
 2113   1HH2  ARG 205          1HH2      ARG 205  28.167  39.622   3.920
 2114   2HH2  ARG 205          2HH2      ARG 205  29.803  39.883   3.414
 2115    H    LYS 206           H        LYS 206  26.475  32.488   3.356
 2116    HA   LYS 206           HA       LYS 206  26.239  30.282   1.498
 2117   1HB   LYS 206          1HB       LYS 206  27.987  31.143   3.436
 2118   2HB   LYS 206          2HB       LYS 206  27.212  29.785   4.252
 2119   1HG   LYS 206          1HG       LYS 206  27.635  28.557   1.953
 2120   2HG   LYS 206          2HG       LYS 206  28.870  29.799   1.749
 2121   1HD   LYS 206          1HD       LYS 206  28.642  28.035   4.204
 2122   2HD   LYS 206          2HD       LYS 206  29.715  27.693   2.846
 2123   1HE   LYS 206          1HE       LYS 206  30.173  30.405   3.532
 2124   2HE   LYS 206          2HE       LYS 206  30.145  29.501   5.058
 2125   1HZ   LYS 206          1HZ       LYS 206  31.626  28.653   2.620
 2126   2HZ   LYS 206          2HZ       LYS 206  31.672  27.907   4.144
 2127   3HZ   LYS 206          3HZ       LYS 206  32.341  29.454   3.936
 2128    H    GLN 207           H        GLN 207  26.113  28.123   3.414
 2129    HA   GLN 207           HA       GLN 207  24.544  26.714   4.471
 2130   1HB   GLN 207          1HB       GLN 207  24.203  29.368   5.462
 2131   2HB   GLN 207          2HB       GLN 207  22.592  28.685   5.244
 2132   1HG   GLN 207          1HG       GLN 207  22.932  27.668   7.241
 2133   2HG   GLN 207          2HG       GLN 207  24.007  26.582   6.360
 2134   1HE2  GLN 207          1HE2      GLN 207  24.480  27.238   9.114
 2135   2HE2  GLN 207          2HE2      GLN 207  25.904  28.157   9.207
 2136    H    LEU 208           H        LEU 208  22.304  29.282   3.410
 2137    HA   LEU 208           HA       LEU 208  20.418  29.150   1.995
 2138   1HB   LEU 208          1HB       LEU 208  22.503  27.377   0.694
 2139   2HB   LEU 208          2HB       LEU 208  20.962  27.728  -0.087
 2140    HG   LEU 208           HG       LEU 208  22.660  29.973   0.976
 2141   1HD1  LEU 208          1HD1      LEU 208  24.298  29.133  -0.414
 2142   2HD1  LEU 208          2HD1      LEU 208  23.348  30.011  -1.612
 2143   3HD1  LEU 208          3HD1      LEU 208  23.142  28.269  -1.428
 2144   1HD2  LEU 208          1HD2      LEU 208  20.259  29.615  -0.657
 2145   2HD2  LEU 208          2HD2      LEU 208  21.447  30.666  -1.429
 2146   3HD2  LEU 208          3HD2      LEU 208  20.839  31.055   0.180
 2147    H    ALA 209           H        ALA 209  18.990  27.305   0.813
 2148    HA   ALA 209           HA       ALA 209  18.291  25.401   2.960
 2149   1HB   ALA 209          1HB       ALA 209  16.915  25.583   0.297
 2150   2HB   ALA 209          2HB       ALA 209  16.819  26.970   1.383
 2151   3HB   ALA 209          3HB       ALA 209  16.210  25.398   1.903
 2152    H    THR 210           H        THR 210  17.771  23.106   2.306
 2153    HA   THR 210           HA       THR 210  18.943  21.984  -0.107
 2154    HB   THR 210           HB       THR 210  20.977  22.562   1.148
 2155    HG1  THR 210           HG1      THR 210  21.048  20.609   0.051
 2156   1HG2  THR 210          1HG2      THR 210  21.270  21.241   3.377
 2157   2HG2  THR 210          2HG2      THR 210  19.509  21.141   3.362
 2158   3HG2  THR 210          3HG2      THR 210  20.303  22.715   3.396
 2159    H    LYS 211           H        LYS 211  18.662  19.610  -0.144
 2160    HA   LYS 211           HA       LYS 211  17.374  18.254   2.097
 2161   1HB   LYS 211          1HB       LYS 211  15.182  18.029   0.923
 2162   2HB   LYS 211          2HB       LYS 211  15.564  19.715   1.274
 2163   1HG   LYS 211          1HG       LYS 211  16.668  19.657  -1.118
 2164   2HG   LYS 211          2HG       LYS 211  15.605  18.271  -1.360
 2165   1HD   LYS 211          1HD       LYS 211  14.324  20.132  -2.085
 2166   2HD   LYS 211          2HD       LYS 211  13.723  19.790  -0.463
 2167   1HE   LYS 211          1HE       LYS 211  15.979  21.558  -0.238
 2168   2HE   LYS 211          2HE       LYS 211  14.835  22.235  -1.412
 2169   1HZ   LYS 211          1HZ       LYS 211  13.068  22.033   0.120
 2170   2HZ   LYS 211          2HZ       LYS 211  14.345  22.718   1.008
 2171   3HZ   LYS 211          3HZ       LYS 211  13.980  21.069   1.180
 2172    H    ALA 212           H        ALA 212  17.939  16.131   1.871
 2173    HA   ALA 212           HA       ALA 212  18.235  15.019  -0.896
 2174   1HB   ALA 212          1HB       ALA 212  20.053  14.182   1.340
 2175   2HB   ALA 212          2HB       ALA 212  20.338  15.750   0.585
 2176   3HB   ALA 212          3HB       ALA 212  20.387  14.280  -0.388
 2177    H    ALA 213           H        ALA 213  16.620  13.486  -0.980
 2178    HA   ALA 213           HA       ALA 213  16.630  11.293   0.979
 2179   1HB   ALA 213          1HB       ALA 213  14.377  11.739   1.785
 2180   2HB   ALA 213          2HB       ALA 213  14.187  13.071   0.646
 2181   3HB   ALA 213          3HB       ALA 213  15.321  13.214   1.989
 2182    H    ARG 214           H        ARG 214  13.799  10.642   0.245
 2183    HA   ARG 214           HA       ARG 214  12.641   9.453  -1.423
 2184   1HB   ARG 214          1HB       ARG 214  14.383  11.081  -3.310
 2185   2HB   ARG 214          2HB       ARG 214  12.806  10.378  -3.661
 2186   1HG   ARG 214          1HG       ARG 214  12.572  12.009  -1.313
 2187   2HG   ARG 214          2HG       ARG 214  13.365  12.951  -2.576
 2188   1HD   ARG 214          1HD       ARG 214  11.510  12.159  -4.152
 2189   2HD   ARG 214          2HD       ARG 214  10.668  11.571  -2.706
 2190    HE   ARG 214           HE       ARG 214  11.060  14.375  -3.440
 2191   1HH1  ARG 214          1HH1      ARG 214  10.637  12.116  -0.826
 2192   2HH1  ARG 214          2HH1      ARG 214  10.002  13.311   0.251
 2193   1HH2  ARG 214          1HH2      ARG 214  10.233  15.909  -2.025
 2194   2HH2  ARG 214          2HH2      ARG 214   9.774  15.443  -0.421
 2195   1HN   MLZ 215          1HN       MLZ 215  13.034   7.347  -1.909
 2196    HA   MLZ 215           HA       MLZ 215  15.717   6.274  -2.025
 2197   1HB   MLZ 215          1HB       MLZ 215  12.887   5.332  -2.288
 2198   2HB   MLZ 215          2HB       MLZ 215  14.158   4.257  -2.869
 2199   1HG   MLZ 215          1HG       MLZ 215  14.762   5.461  -0.260
 2200   2HG   MLZ 215          2HG       MLZ 215  14.857   3.774  -0.767
 2201   1HD   MLZ 215          1HD       MLZ 215  12.196   5.113  -0.281
 2202   2HD   MLZ 215          2HD       MLZ 215  12.568   3.390  -0.311
 2203   1HE   MLZ 215          1HE       MLZ 215  12.662   5.225   1.937
 2204   2HE   MLZ 215          2HE       MLZ 215  14.239   4.452   1.690
 2205    HZ   MLZ 215           HZ       MLZ 215  13.274   2.328   1.739
 2206   1HCM  MLZ 215          1HCM      MLZ 215  13.285   3.747   3.889
 2207   2HCM  MLZ 215          2HCM      MLZ 215  12.498   2.170   3.878
 2208   3HCM  MLZ 215          3HCM      MLZ 215  11.534   3.637   3.715
 2209    H    SER 216           H        SER 216  16.984   5.895  -3.810
 2210    HA   SER 216           HA       SER 216  17.695   5.926  -6.059
 2211   1HB   SER 216          1HB       SER 216  15.186   7.464  -6.709
 2212   2HB   SER 216          2HB       SER 216  16.417   8.204  -5.685
 2213    HG   SER 216           HG       SER 216  16.442   7.669  -8.374
 2214    H    ALA 217           H        ALA 217  17.356   4.655  -7.919
 2215    HA   ALA 217           HA       ALA 217  15.082   2.770  -7.768
 2216   1HB   ALA 217          1HB       ALA 217  14.249   4.750  -9.015
 2217   2HB   ALA 217          2HB       ALA 217  14.374   3.349 -10.078
 2218   3HB   ALA 217          3HB       ALA 217  15.604   4.610 -10.135
 2219    HA   PRO 218           HA       PRO 218  18.193   0.064  -9.308
 2220   1HB   PRO 218          1HB       PRO 218  16.585  -1.707 -10.734
 2221   2HB   PRO 218          2HB       PRO 218  16.841  -1.773  -8.982
 2222   1HG   PRO 218          1HG       PRO 218  14.554  -0.675 -10.529
 2223   2HG   PRO 218          2HG       PRO 218  14.565  -1.513  -8.972
 2224   1HD   PRO 218          1HD       PRO 218  14.262   1.175  -9.212
 2225   2HD   PRO 218          2HD       PRO 218  15.017   0.408  -7.800
 2226    H    ALA 219           H        ALA 219  18.856  -0.965 -11.539
 2227    HA   ALA 219           HA       ALA 219  19.297   1.046 -13.455
 2228   1HB   ALA 219          1HB       ALA 219  20.249  -0.709 -14.684
 2229   2HB   ALA 219          2HB       ALA 219  18.972  -1.841 -14.241
 2230   3HB   ALA 219          3HB       ALA 219  20.215  -1.410 -13.066
 2231    H    THR 220           H        THR 220  17.052  -1.710 -13.943
 2232    HA   THR 220           HA       THR 220  15.088  -1.847 -15.249
 2233    HB   THR 220           HB       THR 220  14.985   1.019 -14.235
 2234    HG1  THR 220           HG1      THR 220  14.199   0.174 -12.449
 2235   1HG2  THR 220          1HG2      THR 220  12.399   0.128 -14.400
 2236   2HG2  THR 220          2HG2      THR 220  13.121  -0.640 -15.814
 2237   3HG2  THR 220          3HG2      THR 220  13.189   1.113 -15.632
 2238    H    GLY 221           H        GLY 221  16.963  -1.735 -17.052
 2239   1HA   GLY 221          1HA       GLY 221  15.926   0.053 -19.126
 2240   2HA   GLY 221          2HA       GLY 221  17.585   0.408 -18.643
 2241   1HN   SAH 301          1HN       SAH 301  -9.937  -1.253  -7.674
 2242   2HN   SAH 301          2HN       SAH 301  -8.406  -0.955  -8.347
 2243    HA   SAH 301           HA       SAH 301  -9.072   1.530  -8.164
 2244   1HB   SAH 301          1HB       SAH 301 -11.141  -0.053  -6.732
 2245   2HB   SAH 301          2HB       SAH 301 -10.552   1.368  -5.874
 2246   1HG   SAH 301          1HG       SAH 301 -12.419   1.269  -8.027
 2247   2HG   SAH 301          2HG       SAH 301 -10.965   2.064  -8.629
 2248   1H5*  SAH 301          1H5*      SAH 301 -14.022   2.257  -7.528
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.297   3.447  -6.258
 2250    H4*  SAH 301           H4*      SAH 301 -13.348   4.993  -8.250
 2251    H3*  SAH 301           H3*      SAH 301 -15.843   4.437  -6.900
 2252   *HO3  SAH 301          *HO3      SAH 301 -16.063   6.726  -7.965
 2253    H2*  SAH 301           H2*      SAH 301 -17.249   4.045  -8.597
 2254   *HO2  SAH 301          *HO2      SAH 301 -17.737   5.679  -9.872
 2255    H1*  SAH 301           H1*      SAH 301 -15.561   4.313 -10.910
 2256    H8   SAH 301           H8       SAH 301 -15.617   1.286  -8.542
 2257   1HN6  SAH 301          1HN6      SAH 301 -20.463  -0.746 -11.736
 2258   2HN6  SAH 301          2HN6      SAH 301 -19.305  -1.144 -10.487
 2259    H2   SAH 301           H2       SAH 301 -19.099   3.118 -13.582
 2260   1HN   SAH 302          1HN       SAH 302  10.110  -1.249   7.743
 2261   2HN   SAH 302          2HN       SAH 302   8.595  -0.957   8.450
 2262    HA   SAH 302           HA       SAH 302   9.252   1.529   8.260
 2263   1HB   SAH 302          1HB       SAH 302  11.293  -0.047   6.781
 2264   2HB   SAH 302          2HB       SAH 302  10.684   1.375   5.937
 2265   1HG   SAH 302          1HG       SAH 302  12.594   1.277   8.051
 2266   2HG   SAH 302          2HG       SAH 302  11.151   2.065   8.685
 2267   1H5*  SAH 302          1H5*      SAH 302  14.184   2.269   7.522
 2268   2H5*  SAH 302          2H5*      SAH 302  14.430   3.463   6.249
 2269    H4*  SAH 302           H4*      SAH 302  13.519   5.003   8.264
 2270    H3*  SAH 302           H3*      SAH 302  15.986   4.455   6.861
 2271   *HO3  SAH 302          *HO3      SAH 302  16.224   6.742   7.925
 2272    H2*  SAH 302           H2*      SAH 302  17.427   4.062   8.527
 2273   *HO2  SAH 302          *HO2      SAH 302  17.938   5.695   9.796
 2274    H1*  SAH 302           H1*      SAH 302  15.788   4.322  10.876
 2275    H8   SAH 302           H8       SAH 302  15.802   1.300   8.498
 2276   1HN6  SAH 302          1HN6      SAH 302  20.719  -0.727  11.589
 2277   2HN6  SAH 302          2HN6      SAH 302  19.537  -1.125  10.363
 2278    H2   SAH 302           H2       SAH 302  19.383   3.131  13.471
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1   1.191 -11.150  -5.041
    2   2H    MET   1          2H        MET   1   1.451 -10.403  -6.543
    3   3H    MET   1          3H        MET   1   0.978 -12.032  -6.476
    4    HA   MET   1           HA       MET   1  -0.729  -9.861  -5.394
    5   1HB   MET   1          1HB       MET   1   0.007 -10.628  -8.141
    6   2HB   MET   1          2HB       MET   1  -1.734 -10.623  -7.866
    7   1HG   MET   1          1HG       MET   1  -0.044  -8.318  -6.919
    8   2HG   MET   1          2HG       MET   1  -0.565  -8.402  -8.601
    9   1HE   MET   1          1HE       MET   1  -2.595  -6.842  -9.160
   10   2HE   MET   1          2HE       MET   1  -1.415  -6.126  -8.061
   11   3HE   MET   1          3HE       MET   1  -3.140  -5.896  -7.774
   12    H    PHE   2           H        PHE   2  -1.356 -12.596  -7.565
   13    HA   PHE   2           HA       PHE   2  -3.650 -13.563  -6.287
   14   1HB   PHE   2          1HB       PHE   2  -2.939 -15.762  -7.417
   15   2HB   PHE   2          2HB       PHE   2  -3.026 -14.348  -8.465
   16    HD1  PHE   2           HD1      PHE   2  -1.145 -13.644  -9.689
   17    HD2  PHE   2           HD2      PHE   2  -0.634 -16.352  -6.394
   18    HE1  PHE   2           HE1      PHE   2   1.243 -13.928 -10.294
   19    HE2  PHE   2           HE2      PHE   2   1.755 -16.636  -6.999
   20    HZ   PHE   2           HZ       PHE   2   2.691 -15.422  -8.948
   21    H    ASN   3           H        ASN   3  -4.045 -14.946  -4.565
   22    HA   ASN   3           HA       ASN   3  -1.726 -16.216  -3.186
   23   1HB   ASN   3          1HB       ASN   3  -2.422 -13.831  -2.360
   24   2HB   ASN   3          2HB       ASN   3  -3.823 -14.653  -1.673
   25   1HD2  ASN   3          1HD2      ASN   3  -3.095 -14.342   0.547
   26   2HD2  ASN   3          2HD2      ASN   3  -1.757 -15.182   1.170
   27    H    ASP   4           H        ASP   4  -2.297 -18.148  -2.151
   28    HA   ASP   4           HA       ASP   4  -4.447 -19.701  -2.976
   29   1HB   ASP   4          1HB       ASP   4  -3.946 -21.019  -0.918
   30   2HB   ASP   4          2HB       ASP   4  -2.471 -20.480  -1.720
   31    H    ARG   5           H        ARG   5  -4.413 -17.336  -0.335
   32    HA   ARG   5           HA       ARG   5  -7.043 -18.084   0.684
   33   1HB   ARG   5          1HB       ARG   5  -4.995 -15.919   1.083
   34   2HB   ARG   5          2HB       ARG   5  -6.615 -15.681   1.739
   35   1HG   ARG   5          1HG       ARG   5  -4.851 -18.089   2.283
   36   2HG   ARG   5          2HG       ARG   5  -5.096 -16.741   3.393
   37   1HD   ARG   5          1HD       ARG   5  -7.687 -17.583   2.629
   38   2HD   ARG   5          2HD       ARG   5  -6.772 -19.059   2.993
   39    HE   ARG   5           HE       ARG   5  -7.525 -17.020   4.918
   40   1HH1  ARG   5          1HH1      ARG   5  -5.029 -19.282   4.035
   41   2HH1  ARG   5          2HH1      ARG   5  -4.437 -19.428   5.653
   42   1HH2  ARG   5          1HH2      ARG   5  -6.738 -17.227   7.010
   43   2HH2  ARG   5          2HH2      ARG   5  -5.395 -18.275   7.326
   44    H    VAL   6           H        VAL   6  -5.770 -15.445  -1.363
   45    HA   VAL   6           HA       VAL   6  -8.430 -15.159  -2.626
   46    HB   VAL   6           HB       VAL   6  -8.450 -12.712  -2.046
   47   1HG1  VAL   6          1HG1      VAL   6  -9.572 -14.565  -0.655
   48   2HG1  VAL   6          2HG1      VAL   6  -9.318 -13.014   0.145
   49   3HG1  VAL   6          3HG1      VAL   6  -8.232 -14.364   0.474
   50   1HG2  VAL   6          1HG2      VAL   6  -6.211 -13.450  -0.142
   51   2HG2  VAL   6          2HG2      VAL   6  -6.910 -11.851  -0.394
   52   3HG2  VAL   6          3HG2      VAL   6  -5.956 -12.607  -1.670
   53    H    ILE   7           H        ILE   7  -8.265 -14.167  -4.690
   54    HA   ILE   7           HA       ILE   7  -5.461 -13.595  -5.592
   55    HB   ILE   7           HB       ILE   7  -6.562 -15.611  -6.541
   56   1HG1  ILE   7          1HG1      ILE   7  -6.379 -13.352  -8.557
   57   2HG1  ILE   7          2HG1      ILE   7  -4.999 -14.254  -7.933
   58   1HG2  ILE   7          1HG2      ILE   7  -8.651 -13.578  -7.351
   59   2HG2  ILE   7          2HG2      ILE   7  -8.880 -15.027  -6.372
   60   3HG2  ILE   7          3HG2      ILE   7  -8.529 -15.172  -8.094
   61   1HD1  ILE   7          1HD1      ILE   7  -5.354 -15.677  -9.659
   62   2HD1  ILE   7          2HD1      ILE   7  -6.961 -15.023  -9.971
   63   3HD1  ILE   7          3HD1      ILE   7  -6.737 -16.257  -8.731
   64    H    VAL   8           H        VAL   8  -5.378 -11.961  -7.428
   65    HA   VAL   8           HA       VAL   8  -7.107  -9.668  -6.743
   66    HB   VAL   8           HB       VAL   8  -4.671  -9.411  -6.984
   67   1HG1  VAL   8          1HG1      VAL   8  -5.056 -11.170  -9.170
   68   2HG1  VAL   8          2HG1      VAL   8  -3.534 -10.475  -8.612
   69   3HG1  VAL   8          3HG1      VAL   8  -4.477  -9.652  -9.855
   70   1HG2  VAL   8          1HG2      VAL   8  -5.100  -7.901  -9.329
   71   2HG2  VAL   8          2HG2      VAL   8  -5.235  -7.333  -7.664
   72   3HG2  VAL   8          3HG2      VAL   8  -6.660  -7.947  -8.505
   73    H    LYS   9           H        LYS   9  -8.933  -9.253  -7.853
   74    HA   LYS   9           HA       LYS   9  -9.006  -9.682 -10.764
   75   1HB   LYS   9          1HB       LYS   9 -10.363 -11.283  -8.756
   76   2HB   LYS   9          2HB       LYS   9 -11.414 -10.739 -10.051
   77   1HG   LYS   9          1HG       LYS   9  -9.933 -11.708 -11.707
   78   2HG   LYS   9          2HG       LYS   9  -8.732 -12.080 -10.474
   79   1HD   LYS   9          1HD       LYS   9 -10.378 -13.576  -9.372
   80   2HD   LYS   9          2HD       LYS   9 -11.514 -13.262 -10.682
   81   1HE   LYS   9          1HE       LYS   9  -9.693 -14.063 -12.276
   82   2HE   LYS   9          2HE       LYS   9  -8.829 -14.652 -10.848
   83   1HZ   LYS   9          1HZ       LYS   9 -10.435 -16.275 -11.913
   84   2HZ   LYS   9          2HZ       LYS   9 -11.686 -15.267 -11.362
   85   3HZ   LYS   9          3HZ       LYS   9 -10.645 -16.013 -10.248
   86    H    LYS  10           H        LYS  10 -11.100  -6.757 -10.682
   87    HA   LYS  10           HA       LYS  10 -10.318  -7.100 -12.837
   88   1HB   LYS  10          1HB       LYS  10  -8.161  -8.058 -10.991
   89   2HB   LYS  10          2HB       LYS  10  -7.958  -8.278 -12.723
   90   1HG   LYS  10          1HG       LYS  10  -7.625  -6.068 -13.065
   91   2HG   LYS  10          2HG       LYS  10  -8.955  -5.623 -11.995
   92   1HD   LYS  10          1HD       LYS  10  -7.483  -5.099 -10.373
   93   2HD   LYS  10          2HD       LYS  10  -6.863  -6.750 -10.395
   94   1HE   LYS  10          1HE       LYS  10  -5.076  -6.198 -11.740
   95   2HE   LYS  10          2HE       LYS  10  -6.003  -4.959 -12.605
   96   1HZ   LYS  10          1HZ       LYS  10  -4.280  -4.107 -10.978
   97   2HZ   LYS  10          2HZ       LYS  10  -5.268  -4.717  -9.739
   98   3HZ   LYS  10          3HZ       LYS  10  -5.851  -3.498 -10.767
   99    H    SER  11           H        SER  11 -12.226  -8.925 -11.900
  100    HA   SER  11           HA       SER  11 -11.813 -11.664 -12.141
  101   1HB   SER  11          1HB       SER  11 -13.987 -11.075 -11.627
  102   2HB   SER  11          2HB       SER  11 -13.969  -9.685 -12.709
  103    HG   SER  11           HG       SER  11 -15.261 -11.694 -13.257
  104    HA   PRO  12           HA       PRO  12 -10.629 -12.739 -16.223
  105   1HB   PRO  12          1HB       PRO  12 -13.138 -14.313 -16.568
  106   2HB   PRO  12          2HB       PRO  12 -11.452 -14.847 -16.691
  107   1HG   PRO  12          1HG       PRO  12 -13.009 -15.466 -14.592
  108   2HG   PRO  12          2HG       PRO  12 -11.269 -15.206 -14.435
  109   1HD   PRO  12          1HD       PRO  12 -13.516 -13.462 -13.617
  110   2HD   PRO  12          2HD       PRO  12 -11.896 -13.630 -12.913
  111    H    LEU  13           H        LEU  13 -13.817 -11.455 -15.626
  112    HA   LEU  13           HA       LEU  13 -14.259 -10.780 -18.479
  113   1HB   LEU  13          1HB       LEU  13 -15.798 -11.222 -16.083
  114   2HB   LEU  13          2HB       LEU  13 -16.179  -9.620 -16.714
  115    HG   LEU  13           HG       LEU  13 -17.651 -11.338 -17.710
  116   1HD1  LEU  13          1HD1      LEU  13 -17.625 -10.195 -19.660
  117   2HD1  LEU  13          2HD1      LEU  13 -16.020 -10.800 -20.072
  118   3HD1  LEU  13          3HD1      LEU  13 -16.189  -9.375 -19.047
  119   1HD2  LEU  13          1HD2      LEU  13 -15.772 -13.117 -17.513
  120   2HD2  LEU  13          2HD2      LEU  13 -15.208 -12.484 -19.059
  121   3HD2  LEU  13          3HD2      LEU  13 -16.821 -13.184 -18.929
  122    H    GLY  14           H        GLY  14 -13.880  -9.083 -15.343
  123   1HA   GLY  14          1HA       GLY  14 -12.193  -7.051 -16.073
  124   2HA   GLY  14          2HA       GLY  14 -13.750  -6.474 -16.666
  125    H    GLY  15           H        GLY  15 -12.592  -4.948 -14.749
  126   1HA   GLY  15          1HA       GLY  15 -13.937  -3.988 -12.865
  127   2HA   GLY  15          2HA       GLY  15 -14.142  -5.641 -12.285
  128    H    TYR  16           H        TYR  16 -13.157  -4.187 -10.368
  129    HA   TYR  16           HA       TYR  16 -10.310  -5.006 -10.189
  130   1HB   TYR  16          1HB       TYR  16 -11.392  -2.185 -10.227
  131   2HB   TYR  16          2HB       TYR  16  -9.923  -2.548  -9.324
  132    HD1  TYR  16           HD1      TYR  16  -7.872  -3.195 -10.445
  133    HD2  TYR  16           HD2      TYR  16 -11.455  -2.401 -12.677
  134    HE1  TYR  16           HE1      TYR  16  -6.548  -3.107 -12.539
  135    HE2  TYR  16           HE2      TYR  16 -10.130  -2.314 -14.772
  136    HH   TYR  16           HH       TYR  16  -7.894  -3.286 -15.574
  137    H    GLY  17           H        GLY  17 -11.069  -6.381  -8.466
  138   1HA   GLY  17          1HA       GLY  17 -11.457  -4.975  -5.900
  139   2HA   GLY  17          2HA       GLY  17 -12.758  -6.060  -6.388
  140    H    VAL  18           H        VAL  18 -11.990  -7.136  -4.265
  141    HA   VAL  18           HA       VAL  18  -9.530  -8.785  -4.701
  142    HB   VAL  18           HB       VAL  18 -11.289  -8.195  -2.290
  143   1HG1  VAL  18          1HG1      VAL  18 -10.176 -10.494  -2.335
  144   2HG1  VAL  18          2HG1      VAL  18  -9.755  -9.466  -0.965
  145   3HG1  VAL  18          3HG1      VAL  18  -8.632  -9.641  -2.314
  146   1HG2  VAL  18          1HG2      VAL  18  -9.895  -6.309  -3.040
  147   2HG2  VAL  18          2HG2      VAL  18  -8.470  -7.348  -3.029
  148   3HG2  VAL  18          3HG2      VAL  18  -9.287  -6.956  -1.517
  149    H    PHE  19           H        PHE  19  -9.844 -10.861  -5.423
  150    HA   PHE  19           HA       PHE  19 -12.575 -11.961  -5.508
  151   1HB   PHE  19          1HB       PHE  19 -10.173 -12.102  -6.998
  152   2HB   PHE  19          2HB       PHE  19 -10.447 -13.729  -6.376
  153    HD1  PHE  19           HD1      PHE  19 -12.422 -10.907  -7.881
  154    HD2  PHE  19           HD2      PHE  19 -11.774 -15.147  -7.652
  155    HE1  PHE  19           HE1      PHE  19 -14.171 -11.267  -9.603
  156    HE2  PHE  19           HE2      PHE  19 -13.522 -15.508  -9.373
  157    HZ   PHE  19           HZ       PHE  19 -14.716 -13.570 -10.354
  158    H    ALA  20           H        ALA  20 -13.355 -13.412  -4.061
  159    HA   ALA  20           HA       ALA  20 -11.528 -14.531  -2.000
  160   1HB   ALA  20          1HB       ALA  20 -14.198 -13.506  -2.142
  161   2HB   ALA  20          2HB       ALA  20 -13.327 -14.055  -0.710
  162   3HB   ALA  20          3HB       ALA  20 -14.297 -15.195  -1.643
  163    H    ARG  21           H        ARG  21 -10.578 -16.183  -3.433
  164    HA   ARG  21           HA       ARG  21 -12.021 -18.103  -4.951
  165   1HB   ARG  21          1HB       ARG  21  -9.364 -17.620  -3.926
  166   2HB   ARG  21          2HB       ARG  21  -9.763 -19.324  -3.710
  167   1HG   ARG  21          1HG       ARG  21 -10.036 -19.687  -6.000
  168   2HG   ARG  21          2HG       ARG  21 -10.375 -17.988  -6.330
  169   1HD   ARG  21          1HD       ARG  21  -8.121 -18.545  -7.146
  170   2HD   ARG  21          2HD       ARG  21  -7.978 -17.462  -5.748
  171    HE   ARG  21           HE       ARG  21  -8.028 -20.015  -4.640
  172   1HH1  ARG  21          1HH1      ARG  21  -6.099 -18.383  -7.035
  173   2HH1  ARG  21          2HH1      ARG  21  -4.685 -19.317  -6.692
  174   1HH2  ARG  21          1HH2      ARG  21  -6.179 -21.215  -4.213
  175   2HH2  ARG  21          2HH2      ARG  21  -4.727 -20.909  -5.107
  176    H    LYS  22           H        LYS  22 -11.568 -17.742  -1.512
  177    HA   LYS  22           HA       LYS  22 -12.488 -20.465  -0.855
  178   1HB   LYS  22          1HB       LYS  22 -12.119 -18.022   0.926
  179   2HB   LYS  22          2HB       LYS  22 -12.058 -19.712   1.413
  180   1HG   LYS  22          1HG       LYS  22 -10.125 -19.705  -0.488
  181   2HG   LYS  22          2HG       LYS  22  -9.974 -18.060   0.127
  182   1HD   LYS  22          1HD       LYS  22  -8.628 -19.111   1.664
  183   2HD   LYS  22          2HD       LYS  22 -10.177 -19.358   2.470
  184   1HE   LYS  22          1HE       LYS  22  -9.149 -21.520   2.422
  185   2HE   LYS  22          2HE       LYS  22 -10.323 -21.553   1.093
  186   1HZ   LYS  22          1HZ       LYS  22  -8.619 -20.960  -0.451
  187   2HZ   LYS  22          2HZ       LYS  22  -8.039 -22.278   0.448
  188   3HZ   LYS  22          3HZ       LYS  22  -7.487 -20.709   0.790
  189    H    SER  23           H        SER  23 -15.799 -19.409   0.450
  190    HA   SER  23           HA       SER  23 -13.371 -21.066   0.959
  191   1HB   SER  23          1HB       SER  23 -15.383 -22.314   0.554
  192   2HB   SER  23          2HB       SER  23 -15.141 -22.366   2.300
  193    HG   SER  23           HG       SER  23 -17.299 -21.692   1.273
  194    H    PHE  24           H        PHE  24 -15.161 -18.402   2.226
  195    HA   PHE  24           HA       PHE  24 -13.564 -18.556   4.752
  196   1HB   PHE  24          1HB       PHE  24 -14.736 -16.344   3.054
  197   2HB   PHE  24          2HB       PHE  24 -14.149 -16.028   4.678
  198    HD1  PHE  24           HD1      PHE  24 -13.193 -15.429   1.561
  199    HD2  PHE  24           HD2      PHE  24 -11.786 -17.733   4.903
  200    HE1  PHE  24           HE1      PHE  24 -10.880 -15.288   0.682
  201    HE2  PHE  24           HE2      PHE  24  -9.468 -17.591   4.022
  202    HZ   PHE  24           HZ       PHE  24  -9.019 -16.366   1.911
  203    H    GLU  25           H        GLU  25 -14.649 -18.376   6.740
  204    HA   GLU  25           HA       GLU  25 -17.580 -18.770   6.671
  205   1HB   GLU  25          1HB       GLU  25 -15.289 -19.225   8.483
  206   2HB   GLU  25          2HB       GLU  25 -16.771 -18.744   9.305
  207   1HG   GLU  25          1HG       GLU  25 -17.998 -20.569   8.329
  208   2HG   GLU  25          2HG       GLU  25 -16.664 -20.959   7.245
  209    H    LYS  26           H        LYS  26 -18.835 -17.509   8.428
  210    HA   LYS  26           HA       LYS  26 -18.632 -14.685   7.902
  211   1HB   LYS  26          1HB       LYS  26 -20.724 -15.843   8.428
  212   2HB   LYS  26          2HB       LYS  26 -20.107 -16.312  10.000
  213   1HG   LYS  26          1HG       LYS  26 -19.953 -13.954  10.657
  214   2HG   LYS  26          2HG       LYS  26 -20.546 -13.459   9.080
  215   1HD   LYS  26          1HD       LYS  26 -22.424 -15.274   9.889
  216   2HD   LYS  26          2HD       LYS  26 -21.990 -14.520  11.413
  217   1HE   LYS  26          1HE       LYS  26 -22.226 -12.280  10.111
  218   2HE   LYS  26          2HE       LYS  26 -23.156 -13.238   8.944
  219   1HZ   LYS  26          1HZ       LYS  26 -24.558 -12.336  10.746
  220   2HZ   LYS  26          2HZ       LYS  26 -23.633 -13.195  11.882
  221   3HZ   LYS  26          3HZ       LYS  26 -24.553 -14.034  10.727
  222    H    GLY  27           H        GLY  27 -16.685 -13.769   8.598
  223   1HA   GLY  27          1HA       GLY  27 -15.864 -12.507  10.612
  224   2HA   GLY  27          2HA       GLY  27 -16.099 -13.998  11.524
  225    H    GLU  28           H        GLU  28 -15.075 -15.485   9.023
  226    HA   GLU  28           HA       GLU  28 -12.439 -15.996   9.836
  227   1HB   GLU  28          1HB       GLU  28 -14.182 -16.922   7.961
  228   2HB   GLU  28          2HB       GLU  28 -13.043 -16.069   6.919
  229   1HG   GLU  28          1HG       GLU  28 -12.313 -18.173   8.982
  230   2HG   GLU  28          2HG       GLU  28 -12.360 -18.422   7.236
  231    H    LEU  29           H        LEU  29 -10.650 -14.712   9.815
  232    HA   LEU  29           HA       LEU  29 -10.584 -12.096   8.630
  233   1HB   LEU  29          1HB       LEU  29  -9.276 -13.188  10.603
  234   2HB   LEU  29          2HB       LEU  29  -8.189 -13.799   9.359
  235    HG   LEU  29           HG       LEU  29  -7.400 -11.645  10.323
  236   1HD1  LEU  29          1HD1      LEU  29  -8.274 -11.018   7.524
  237   2HD1  LEU  29          2HD1      LEU  29  -7.209 -12.397   7.798
  238   3HD1  LEU  29          3HD1      LEU  29  -6.699 -10.779   8.282
  239   1HD2  LEU  29          1HD2      LEU  29 -10.111 -10.967  10.181
  240   2HD2  LEU  29          2HD2      LEU  29  -9.339  -9.969   8.949
  241   3HD2  LEU  29          3HD2      LEU  29  -8.784  -9.892  10.621
  242    H    VAL  30           H        VAL  30 -10.549 -11.795   6.432
  243    HA   VAL  30           HA       VAL  30  -9.597 -13.792   4.559
  244    HB   VAL  30           HB       VAL  30 -10.253 -10.831   4.326
  245   1HG1  VAL  30          1HG1      VAL  30 -10.743 -11.946   1.872
  246   2HG1  VAL  30          2HG1      VAL  30  -9.304 -12.834   2.375
  247   3HG1  VAL  30          3HG1      VAL  30  -9.268 -11.073   2.288
  248   1HG2  VAL  30          1HG2      VAL  30 -12.258 -12.253   3.106
  249   2HG2  VAL  30          2HG2      VAL  30 -12.327 -11.655   4.763
  250   3HG2  VAL  30          3HG2      VAL  30 -11.834 -13.318   4.446
  251    H    GLU  31           H        GLU  31  -8.341 -10.557   5.470
  252    HA   GLU  31           HA       GLU  31  -5.585 -11.431   5.480
  253   1HB   GLU  31          1HB       GLU  31  -6.240 -11.550   3.039
  254   2HB   GLU  31          2HB       GLU  31  -6.527  -9.810   3.087
  255   1HG   GLU  31          1HG       GLU  31  -4.058  -9.846   4.146
  256   2HG   GLU  31          2HG       GLU  31  -3.954 -11.313   3.173
  257    H    GLU  32           H        GLU  32  -4.266  -9.793   6.348
  258    HA   GLU  32           HA       GLU  32  -5.579  -7.128   6.772
  259   1HB   GLU  32          1HB       GLU  32  -4.424  -7.198   9.002
  260   2HB   GLU  32          2HB       GLU  32  -5.583  -8.512   8.795
  261   1HG   GLU  32          1HG       GLU  32  -3.830 -10.082   8.290
  262   2HG   GLU  32          2HG       GLU  32  -2.630  -8.794   8.180
  263    H    CYS  33           H        CYS  33  -4.054  -5.330   6.984
  264    HA   CYS  33           HA       CYS  33  -1.250  -5.842   6.145
  265   1HB   CYS  33          1HB       CYS  33  -1.573  -4.243   4.239
  266   2HB   CYS  33          2HB       CYS  33  -2.570  -5.688   4.076
  267    HG   CYS  33           HG       CYS  33  -3.625  -2.846   4.733
  268    H    LEU  34           H        LEU  34  -0.357  -3.351   5.707
  269    HA   LEU  34           HA       LEU  34  -0.899  -1.943   8.282
  270   1HB   LEU  34          1HB       LEU  34   1.310  -1.585   6.221
  271   2HB   LEU  34          2HB       LEU  34   1.299  -0.948   7.864
  272    HG   LEU  34           HG       LEU  34   1.313  -3.885   7.098
  273   1HD1  LEU  34          1HD1      LEU  34   3.534  -3.404   8.628
  274   2HD1  LEU  34          2HD1      LEU  34   3.405  -1.898   7.718
  275   3HD1  LEU  34          3HD1      LEU  34   3.531  -3.437   6.865
  276   1HD2  LEU  34          1HD2      LEU  34   1.406  -2.529   9.811
  277   2HD2  LEU  34          2HD2      LEU  34   1.571  -4.262   9.528
  278   3HD2  LEU  34          3HD2      LEU  34   0.047  -3.451   9.168
  279    H    CYS  35           H        CYS  35  -0.844   0.533   8.105
  280    HA   CYS  35           HA       CYS  35  -1.805   1.544   5.468
  281   1HB   CYS  35          1HB       CYS  35  -3.249   1.642   8.138
  282   2HB   CYS  35          2HB       CYS  35  -3.716   2.630   6.754
  283    HG   CYS  35           HG       CYS  35  -4.152   0.372   5.420
  284    H    ILE  36           H        ILE  36  -1.819   3.947   5.415
  285    HA   ILE  36           HA       ILE  36   0.379   5.054   7.086
  286    HB   ILE  36           HB       ILE  36  -1.190   6.263   4.781
  287   1HG1  ILE  36          1HG1      ILE  36   1.492   4.857   4.667
  288   2HG1  ILE  36          2HG1      ILE  36  -0.030   4.071   4.248
  289   1HG2  ILE  36          1HG2      ILE  36   1.614   7.014   5.184
  290   2HG2  ILE  36          2HG2      ILE  36   0.582   7.440   6.549
  291   3HG2  ILE  36          3HG2      ILE  36   0.202   8.041   4.935
  292   1HD1  ILE  36          1HD1      ILE  36   0.646   6.704   2.976
  293   2HD1  ILE  36          2HD1      ILE  36  -0.340   5.383   2.349
  294   3HD1  ILE  36          3HD1      ILE  36   1.417   5.238   2.371
  295    H    VAL  37           H        VAL  37   0.050   6.892   8.434
  296    HA   VAL  37           HA       VAL  37  -2.827   7.561   8.962
  297    HB   VAL  37           HB       VAL  37  -0.481   7.345  10.887
  298   1HG1  VAL  37          1HG1      VAL  37  -3.451   7.570  11.449
  299   2HG1  VAL  37          2HG1      VAL  37  -2.335   8.935  11.512
  300   3HG1  VAL  37          3HG1      VAL  37  -2.142   7.585  12.631
  301   1HG2  VAL  37          1HG2      VAL  37  -1.203   5.167   9.896
  302   2HG2  VAL  37          2HG2      VAL  37  -2.839   5.481  10.474
  303   3HG2  VAL  37          3HG2      VAL  37  -1.522   5.264  11.628
  304    H    ARG  38           H        ARG  38  -2.702   9.482   7.643
  305    HA   ARG  38           HA       ARG  38  -0.895  11.625   8.721
  306   1HB   ARG  38          1HB       ARG  38  -2.134  11.238   5.973
  307   2HB   ARG  38          2HB       ARG  38  -1.039  12.543   6.421
  308   1HG   ARG  38          1HG       ARG  38  -0.303   9.618   6.673
  309   2HG   ARG  38          2HG       ARG  38   0.046  10.572   5.231
  310   1HD   ARG  38          1HD       ARG  38   1.282  12.213   6.690
  311   2HD   ARG  38          2HD       ARG  38   1.060  11.098   8.047
  312    HE   ARG  38           HE       ARG  38   2.120   9.749   5.704
  313   1HH1  ARG  38          1HH1      ARG  38   2.945  11.744   8.435
  314   2HH1  ARG  38          2HH1      ARG  38   4.581  11.185   8.489
  315   1HH2  ARG  38          1HH2      ARG  38   4.247   9.039   5.794
  316   2HH2  ARG  38          2HH2      ARG  38   5.315   9.665   7.006
  317    H    HIS  39           H        HIS  39  -1.886  13.865   8.426
  318    HA   HIS  39           HA       HIS  39  -4.668  13.854   9.408
  319   1HB   HIS  39          1HB       HIS  39  -2.313  15.410   9.687
  320   2HB   HIS  39          2HB       HIS  39  -3.495  16.456   8.900
  321    HD1  HIS  39           HD1      HIS  39  -4.287  17.867  10.840
  322    HD2  HIS  39           HD2      HIS  39  -4.358  13.794  11.723
  323    HE1  HIS  39           HE1      HIS  39  -5.444  17.640  13.082
  324    H    ASN  40           H        ASN  40  -5.908  15.960   8.398
  325    HA   ASN  40           HA       ASN  40  -6.534  15.237   5.662
  326   1HB   ASN  40          1HB       ASN  40  -7.270  17.653   7.355
  327   2HB   ASN  40          2HB       ASN  40  -8.132  17.107   5.917
  328   1HD2  ASN  40          1HD2      ASN  40  -8.352  14.381   6.265
  329   2HD2  ASN  40          2HD2      ASN  40  -9.184  14.020   7.699
  330    H    ASP  41           H        ASP  41  -6.856  18.301   5.066
  331    HA   ASP  41           HA       ASP  41  -5.631  19.987   3.968
  332   1HB   ASP  41          1HB       ASP  41  -4.171  19.278   6.162
  333   2HB   ASP  41          2HB       ASP  41  -3.019  18.903   4.881
  334    H    ASP  42           H        ASP  42  -2.848  19.526   2.964
  335    HA   ASP  42           HA       ASP  42  -3.287  18.722   0.353
  336   1HB   ASP  42          1HB       ASP  42  -0.843  18.225   2.093
  337   2HB   ASP  42          2HB       ASP  42  -0.838  18.307   0.332
  338    H    TRP  43           H        TRP  43  -2.657  16.606   3.133
  339    HA   TRP  43           HA       TRP  43  -2.151  14.153   1.847
  340   1HB   TRP  43          1HB       TRP  43  -2.021  14.462   4.248
  341   2HB   TRP  43          2HB       TRP  43  -3.723  14.905   4.337
  342    HD1  TRP  43           HD1      TRP  43  -5.282  13.036   5.023
  343    HE1  TRP  43           HE1      TRP  43  -5.217  10.458   4.982
  344    HE3  TRP  43           HE3      TRP  43  -0.801  12.297   2.680
  345    HZ2  TRP  43           HZ2      TRP  43  -3.494   8.362   4.075
  346    HZ3  TRP  43           HZ3      TRP  43   0.024  10.001   2.243
  347    HH2  TRP  43           HH2      TRP  43  -1.316   8.035   2.937
  348    H    GLY  44           H        GLY  44  -5.365  15.352   2.919
  349   1HA   GLY  44          1HA       GLY  44  -6.870  13.303   1.644
  350   2HA   GLY  44          2HA       GLY  44  -7.510  14.882   2.100
  351    H    THR  45           H        THR  45  -5.551  16.332   0.420
  352    HA   THR  45           HA       THR  45  -7.082  16.412  -2.025
  353    HB   THR  45           HB       THR  45  -4.276  17.461  -1.585
  354    HG1  THR  45           HG1      THR  45  -5.270  19.213  -0.536
  355   1HG2  THR  45          1HG2      THR  45  -6.663  18.200  -3.254
  356   2HG2  THR  45          2HG2      THR  45  -4.975  18.042  -3.739
  357   3HG2  THR  45          3HG2      THR  45  -5.496  19.443  -2.803
  358    H    ALA  46           H        ALA  46  -3.593  15.642  -1.655
  359    HA   ALA  46           HA       ALA  46  -3.308  14.449  -4.230
  360   1HB   ALA  46          1HB       ALA  46  -1.358  15.125  -3.058
  361   2HB   ALA  46          2HB       ALA  46  -1.293  13.366  -2.961
  362   3HB   ALA  46          3HB       ALA  46  -1.859  14.305  -1.580
  363    H    LEU  47           H        LEU  47  -3.736  12.896  -1.027
  364    HA   LEU  47           HA       LEU  47  -4.214  10.288  -2.340
  365   1HB   LEU  47          1HB       LEU  47  -3.916  11.292   0.509
  366   2HB   LEU  47          2HB       LEU  47  -4.329   9.618   0.151
  367    HG   LEU  47           HG       LEU  47  -1.934   9.745   0.456
  368   1HD1  LEU  47          1HD1      LEU  47  -1.766   9.696  -2.457
  369   2HD1  LEU  47          2HD1      LEU  47  -3.143   8.774  -1.855
  370   3HD1  LEU  47          3HD1      LEU  47  -1.516   8.391  -1.297
  371   1HD2  LEU  47          1HD2      LEU  47  -1.757  11.747  -1.793
  372   2HD2  LEU  47          2HD2      LEU  47  -0.520  11.307  -0.617
  373   3HD2  LEU  47          3HD2      LEU  47  -1.913  12.260  -0.113
  374    H    GLU  48           H        GLU  48  -6.229  12.452  -2.670
  375    HA   GLU  48           HA       GLU  48  -8.445  12.247  -0.971
  376   1HB   GLU  48          1HB       GLU  48  -7.745  13.500  -3.296
  377   2HB   GLU  48          2HB       GLU  48  -9.032  12.423  -3.835
  378   1HG   GLU  48          1HG       GLU  48  -9.480  13.922  -1.309
  379   2HG   GLU  48          2HG       GLU  48  -9.537  14.851  -2.806
  380    H    ASP  49           H        ASP  49  -7.215   9.841  -3.157
  381    HA   ASP  49           HA       ASP  49  -9.801   8.346  -3.035
  382   1HB   ASP  49          1HB       ASP  49  -7.438   8.500  -4.883
  383   2HB   ASP  49          2HB       ASP  49  -8.384   7.012  -4.851
  384    H    TYR  50           H        TYR  50  -9.712   6.064  -2.528
  385    HA   TYR  50           HA       TYR  50  -9.025   4.217  -1.229
  386   1HB   TYR  50          1HB       TYR  50  -6.283   5.244  -2.048
  387   2HB   TYR  50          2HB       TYR  50  -6.701   3.587  -1.632
  388    HD1  TYR  50           HD1      TYR  50  -5.350   4.252  -4.180
  389    HD2  TYR  50           HD2      TYR  50  -9.541   4.107  -3.232
  390    HE1  TYR  50           HE1      TYR  50  -5.876   3.783  -6.556
  391    HE2  TYR  50           HE2      TYR  50 -10.060   3.640  -5.607
  392    HH   TYR  50           HH       TYR  50  -8.446   2.466  -7.638
  393    H    LEU  51           H        LEU  51  -9.139   7.004   0.022
  394    HA   LEU  51           HA       LEU  51  -7.158   6.609   2.226
  395   1HB   LEU  51          1HB       LEU  51  -7.557   8.746   0.678
  396   2HB   LEU  51          2HB       LEU  51  -8.837   9.070   1.845
  397    HG   LEU  51           HG       LEU  51  -7.200   8.930   3.686
  398   1HD1  LEU  51          1HD1      LEU  51  -5.238   7.880   3.372
  399   2HD1  LEU  51          2HD1      LEU  51  -4.765   9.109   2.199
  400   3HD1  LEU  51          3HD1      LEU  51  -5.625   7.666   1.664
  401   1HD2  LEU  51          1HD2      LEU  51  -5.635  10.868   2.635
  402   2HD2  LEU  51          2HD2      LEU  51  -7.304  11.154   3.131
  403   3HD2  LEU  51          3HD2      LEU  51  -6.928  10.853   1.435
  404    H    PHE  52           H        PHE  52  -8.155   5.340   3.777
  405    HA   PHE  52           HA       PHE  52 -11.007   5.753   4.454
  406   1HB   PHE  52          1HB       PHE  52  -8.789   3.899   5.394
  407   2HB   PHE  52          2HB       PHE  52 -10.421   3.855   6.060
  408    HD1  PHE  52           HD1      PHE  52 -12.100   2.607   4.992
  409    HD2  PHE  52           HD2      PHE  52  -8.557   3.690   2.819
  410    HE1  PHE  52           HE1      PHE  52 -12.838   1.200   3.088
  411    HE2  PHE  52           HE2      PHE  52  -9.295   2.283   0.914
  412    HZ   PHE  52           HZ       PHE  52 -11.436   1.038   1.049
  413    H    SER  53           H        SER  53 -11.269   7.645   5.645
  414    HA   SER  53           HA       SER  53  -9.288   8.221   7.804
  415   1HB   SER  53          1HB       SER  53  -9.522  10.076   6.372
  416   2HB   SER  53          2HB       SER  53 -11.244   9.788   6.130
  417    HG   SER  53           HG       SER  53 -10.057  10.600   8.572
  418    H    ARG  54           H        ARG  54  -9.996   8.573   9.945
  419    HA   ARG  54           HA       ARG  54 -12.811   7.690  10.507
  420   1HB   ARG  54          1HB       ARG  54 -11.815   6.915  12.673
  421   2HB   ARG  54          2HB       ARG  54 -11.061   6.147  11.276
  422   1HG   ARG  54          1HG       ARG  54  -9.098   7.385  11.488
  423   2HG   ARG  54          2HG       ARG  54  -9.898   8.696  12.354
  424   1HD   ARG  54          1HD       ARG  54  -9.542   5.915  13.521
  425   2HD   ARG  54          2HD       ARG  54  -8.422   7.256  13.825
  426    HE   ARG  54           HE       ARG  54 -10.979   8.299  14.302
  427   1HH1  ARG  54          1HH1      ARG  54  -9.030   5.691  15.535
  428   2HH1  ARG  54          2HH1      ARG  54  -9.745   5.754  17.108
  429   1HH2  ARG  54          1HH2      ARG  54 -11.892   8.361  16.351
  430   2HH2  ARG  54          2HH2      ARG  54 -11.353   7.254  17.569
  431    H    LYS  55           H        LYS  55 -13.107   8.507  13.077
  432    HA   LYS  55           HA       LYS  55 -13.335  11.394  12.819
  433   1HB   LYS  55          1HB       LYS  55 -14.724   9.433  14.063
  434   2HB   LYS  55          2HB       LYS  55 -13.733   9.970  15.420
  435   1HG   LYS  55          1HG       LYS  55 -14.564  12.356  14.303
  436   2HG   LYS  55          2HG       LYS  55 -15.977  11.323  14.092
  437   1HD   LYS  55          1HD       LYS  55 -15.418  10.657  16.612
  438   2HD   LYS  55          2HD       LYS  55 -14.659  12.248  16.613
  439   1HE   LYS  55          1HE       LYS  55 -17.259  12.365  15.317
  440   2HE   LYS  55          2HE       LYS  55 -17.398  11.717  16.963
  441   1HZ   LYS  55          1HZ       LYS  55 -16.165  13.546  17.819
  442   2HZ   LYS  55          2HZ       LYS  55 -17.372  14.205  16.822
  443   3HZ   LYS  55          3HZ       LYS  55 -15.771  14.104  16.264
  444    H    ASN  56           H        ASN  56 -10.958  11.744  12.613
  445    HA   ASN  56           HA       ASN  56  -9.224  11.297  14.906
  446   1HB   ASN  56          1HB       ASN  56  -9.886  14.153  14.331
  447   2HB   ASN  56          2HB       ASN  56 -10.947  13.220  15.378
  448   1HD2  ASN  56          1HD2      ASN  56 -10.314  14.376  17.327
  449   2HD2  ASN  56          2HD2      ASN  56  -8.765  14.207  18.001
  450    H    MET  57           H        MET  57  -9.305  11.032  11.885
  451    HA   MET  57           HA       MET  57  -7.527  12.998  10.734
  452   1HB   MET  57          1HB       MET  57  -5.440  11.698  10.873
  453   2HB   MET  57          2HB       MET  57  -6.053  12.037  12.490
  454   1HG   MET  57          1HG       MET  57  -7.319   9.660  11.767
  455   2HG   MET  57          2HG       MET  57  -5.683   9.485  11.152
  456   1HE   MET  57          1HE       MET  57  -4.473  11.716  13.700
  457   2HE   MET  57          2HE       MET  57  -3.770  10.620  12.511
  458   3HE   MET  57          3HE       MET  57  -3.513  10.336  14.232
  459    H    SER  58           H        SER  58  -6.054  11.450   8.986
  460    HA   SER  58           HA       SER  58  -8.084   9.712   7.630
  461   1HB   SER  58          1HB       SER  58  -8.114  11.758   6.435
  462   2HB   SER  58          2HB       SER  58  -6.377  11.995   6.628
  463    HG   SER  58           HG       SER  58  -7.785  10.378   4.848
  464    H    ALA  59           H        ALA  59  -7.227   7.821   6.731
  465    HA   ALA  59           HA       ALA  59  -4.245   7.499   6.811
  466   1HB   ALA  59          1HB       ALA  59  -5.393   6.501   8.779
  467   2HB   ALA  59          2HB       ALA  59  -4.660   5.256   7.766
  468   3HB   ALA  59          3HB       ALA  59  -6.399   5.542   7.694
  469    H    MET  60           H        MET  60  -3.401   6.101   5.183
  470    HA   MET  60           HA       MET  60  -5.195   5.679   2.856
  471   1HB   MET  60          1HB       MET  60  -3.052   6.780   2.502
  472   2HB   MET  60          2HB       MET  60  -2.201   5.488   3.345
  473   1HG   MET  60          1HG       MET  60  -1.954   5.210   0.922
  474   2HG   MET  60          2HG       MET  60  -2.917   3.890   1.585
  475   1HE   MET  60          1HE       MET  60  -2.447   6.905  -0.135
  476   2HE   MET  60          2HE       MET  60  -4.005   7.629  -0.531
  477   3HE   MET  60          3HE       MET  60  -3.274   6.456  -1.627
  478    H    ALA  61           H        ALA  61  -5.330   3.577   1.821
  479    HA   ALA  61           HA       ALA  61  -5.208   1.324   3.722
  480   1HB   ALA  61          1HB       ALA  61  -5.873   0.705   0.950
  481   2HB   ALA  61          2HB       ALA  61  -6.747   2.133   1.504
  482   3HB   ALA  61          3HB       ALA  61  -6.901   0.610   2.380
  483    H    LEU  62           H        LEU  62  -2.930   0.980   3.968
  484    HA   LEU  62           HA       LEU  62  -0.874  -0.037   3.418
  485   1HB   LEU  62          1HB       LEU  62  -0.761   0.925   0.695
  486   2HB   LEU  62          2HB       LEU  62  -1.501   2.153   1.721
  487    HG   LEU  62           HG       LEU  62   0.425   1.804   3.339
  488   1HD1  LEU  62          1HD1      LEU  62   0.926  -0.396   1.718
  489   2HD1  LEU  62          2HD1      LEU  62   2.033   0.269   2.919
  490   3HD1  LEU  62          3HD1      LEU  62   2.165   0.761   1.230
  491   1HD2  LEU  62          1HD2      LEU  62   0.221   3.621   1.514
  492   2HD2  LEU  62          2HD2      LEU  62   1.388   2.658   0.608
  493   3HD2  LEU  62          3HD2      LEU  62   1.826   3.324   2.181
  494    H    GLY  63           H        GLY  63  -2.325  -2.107   3.335
  495   1HA   GLY  63          1HA       GLY  63  -1.451  -3.734   1.175
  496   2HA   GLY  63          2HA       GLY  63  -2.713  -4.185   2.318
  497    H    PHE  64           H        PHE  64  -3.902  -5.157   0.547
  498    HA   PHE  64           HA       PHE  64  -4.840  -3.400  -1.632
  499   1HB   PHE  64          1HB       PHE  64  -5.110  -6.313  -0.855
  500   2HB   PHE  64          2HB       PHE  64  -6.021  -5.640  -2.206
  501    HD1  PHE  64           HD1      PHE  64  -2.536  -5.845  -0.846
  502    HD2  PHE  64           HD2      PHE  64  -5.032  -5.527  -4.327
  503    HE1  PHE  64           HE1      PHE  64  -0.538  -6.067  -2.298
  504    HE2  PHE  64           HE2      PHE  64  -3.035  -5.750  -5.780
  505    HZ   PHE  64           HZ       PHE  64  -0.788  -6.019  -4.766
  506    H    GLY  65           H        GLY  65  -5.842  -2.275   0.641
  507   1HA   GLY  65          1HA       GLY  65  -8.547  -3.388   1.107
  508   2HA   GLY  65          2HA       GLY  65  -7.810  -2.071   2.015
  509    H    ALA  66           H        ALA  66  -7.028  -1.017  -0.866
  510    HA   ALA  66           HA       ALA  66  -9.428   0.695  -1.046
  511   1HB   ALA  66          1HB       ALA  66  -7.233   1.714  -0.990
  512   2HB   ALA  66          2HB       ALA  66  -7.875   1.944  -2.617
  513   3HB   ALA  66          3HB       ALA  66  -6.671   0.692  -2.313
  514    H    ILE  67           H        ILE  67  -8.733  -2.233  -2.441
  515    HA   ILE  67           HA       ILE  67  -9.487  -1.527  -5.210
  516    HB   ILE  67           HB       ILE  67  -9.096  -4.222  -3.862
  517   1HG1  ILE  67          1HG1      ILE  67  -6.850  -3.734  -5.350
  518   2HG1  ILE  67          2HG1      ILE  67  -7.229  -2.126  -4.731
  519   1HG2  ILE  67          1HG2      ILE  67 -10.062  -3.567  -6.401
  520   2HG2  ILE  67          2HG2      ILE  67  -9.419  -5.131  -5.905
  521   3HG2  ILE  67          3HG2      ILE  67  -8.361  -3.946  -6.670
  522   1HD1  ILE  67          1HD1      ILE  67  -7.426  -4.372  -2.796
  523   2HD1  ILE  67          2HD1      ILE  67  -6.855  -2.721  -2.552
  524   3HD1  ILE  67          3HD1      ILE  67  -5.802  -3.914  -3.313
  525    H    PHE  68           H        PHE  68 -11.043  -2.613  -2.304
  526    HA   PHE  68           HA       PHE  68 -13.218  -4.077  -3.250
  527   1HB   PHE  68          1HB       PHE  68 -13.157  -1.921  -1.106
  528   2HB   PHE  68          2HB       PHE  68 -14.326  -3.235  -1.200
  529    HD1  PHE  68           HD1      PHE  68 -11.897  -2.367   0.835
  530    HD2  PHE  68           HD2      PHE  68 -12.622  -5.516  -1.994
  531    HE1  PHE  68           HE1      PHE  68 -10.343  -3.844   2.080
  532    HE2  PHE  68           HE2      PHE  68 -11.069  -6.993  -0.748
  533    HZ   PHE  68           HZ       PHE  68  -9.927  -6.157   1.289
  534    H    ASN  69           H        ASN  69 -15.231  -3.544  -4.166
  535    HA   ASN  69           HA       ASN  69 -15.514  -0.721  -5.149
  536   1HB   ASN  69          1HB       ASN  69 -16.754  -3.287  -6.208
  537   2HB   ASN  69          2HB       ASN  69 -16.727  -1.720  -7.012
  538   1HD2  ASN  69          1HD2      ASN  69 -14.494  -4.272  -5.812
  539   2HD2  ASN  69          2HD2      ASN  69 -13.333  -4.029  -6.992
  540    H    HIS  70           H        HIS  70 -18.219  -0.997  -5.926
  541    HA   HIS  70           HA       HIS  70 -19.579  -1.062  -3.266
  542   1HB   HIS  70          1HB       HIS  70 -19.727   1.028  -4.516
  543   2HB   HIS  70          2HB       HIS  70 -20.239   0.170  -5.969
  544    HD1  HIS  70           HD1      HIS  70 -21.476   0.194  -2.346
  545    HD2  HIS  70           HD2      HIS  70 -22.964   0.451  -6.232
  546    HE1  HIS  70           HE1      HIS  70 -23.992   0.395  -2.138
  547    H    SER  71           H        SER  71 -21.180  -2.607  -2.911
  548    HA   SER  71           HA       SER  71 -22.342  -4.064  -5.219
  549   1HB   SER  71          1HB       SER  71 -21.015  -5.573  -2.961
  550   2HB   SER  71          2HB       SER  71 -21.433  -6.158  -4.571
  551    HG   SER  71           HG       SER  71 -19.290  -5.771  -4.651
  552    H    LYS  72           H        LYS  72 -23.424  -2.285  -3.123
  553    HA   LYS  72           HA       LYS  72 -25.288  -2.198  -1.681
  554   1HB   LYS  72          1HB       LYS  72 -25.610  -4.566  -3.443
  555   2HB   LYS  72          2HB       LYS  72 -26.605  -4.578  -1.988
  556   1HG   LYS  72          1HG       LYS  72 -26.448  -2.273  -3.953
  557   2HG   LYS  72          2HG       LYS  72 -27.743  -3.469  -3.911
  558   1HD   LYS  72          1HD       LYS  72 -27.995  -2.799  -1.419
  559   2HD   LYS  72          2HD       LYS  72 -27.047  -1.377  -1.853
  560   1HE   LYS  72          1HE       LYS  72 -29.035  -0.453  -2.483
  561   2HE   LYS  72          2HE       LYS  72 -28.956  -1.536  -3.885
  562   1HZ   LYS  72          1HZ       LYS  72 -30.100  -2.212  -1.220
  563   2HZ   LYS  72          2HZ       LYS  72 -30.003  -3.268  -2.546
  564   3HZ   LYS  72          3HZ       LYS  72 -30.999  -1.895  -2.625
  565    H    ASP  73           H        ASP  73 -24.887  -5.715  -1.466
  566    HA   ASP  73           HA       ASP  73 -24.351  -5.415   1.454
  567   1HB   ASP  73          1HB       ASP  73 -25.094  -7.819  -0.254
  568   2HB   ASP  73          2HB       ASP  73 -25.072  -7.771   1.508
  569    HA   PRO  74           HA       PRO  74 -20.143  -6.209  -0.225
  570   1HB   PRO  74          1HB       PRO  74 -18.967  -5.481   2.219
  571   2HB   PRO  74          2HB       PRO  74 -19.211  -4.399   0.838
  572   1HG   PRO  74          1HG       PRO  74 -20.814  -4.705   3.318
  573   2HG   PRO  74          2HG       PRO  74 -20.475  -3.255   2.363
  574   1HD   PRO  74          1HD       PRO  74 -22.859  -4.514   2.289
  575   2HD   PRO  74          2HD       PRO  74 -22.178  -3.683   0.874
  576    H    ASN  75           H        ASN  75 -20.040  -8.444  -0.250
  577    HA   ASN  75           HA       ASN  75 -20.717 -10.278   1.747
  578   1HB   ASN  75          1HB       ASN  75 -18.461 -10.352  -0.291
  579   2HB   ASN  75          2HB       ASN  75 -19.131 -11.769   0.516
  580   1HD2  ASN  75          1HD2      ASN  75 -19.424  -9.863  -2.269
  581   2HD2  ASN  75          2HD2      ASN  75 -20.981 -10.345  -2.741
  582    H    ALA  76           H        ALA  76 -17.899  -8.204   1.591
  583    HA   ALA  76           HA       ALA  76 -17.023  -9.291   4.228
  584   1HB   ALA  76          1HB       ALA  76 -15.367 -10.362   3.081
  585   2HB   ALA  76          2HB       ALA  76 -14.664  -8.760   2.857
  586   3HB   ALA  76          3HB       ALA  76 -15.698  -9.453   1.607
  587    H    ARG  77           H        ARG  77 -15.623  -7.751   5.392
  588    HA   ARG  77           HA       ARG  77 -15.693  -4.958   4.320
  589   1HB   ARG  77          1HB       ARG  77 -17.547  -5.803   6.036
  590   2HB   ARG  77          2HB       ARG  77 -16.264  -5.534   7.214
  591   1HG   ARG  77          1HG       ARG  77 -16.308  -3.294   5.440
  592   2HG   ARG  77          2HG       ARG  77 -17.962  -3.594   5.974
  593   1HD   ARG  77          1HD       ARG  77 -17.442  -3.215   8.223
  594   2HD   ARG  77          2HD       ARG  77 -15.732  -3.630   8.000
  595    HE   ARG  77           HE       ARG  77 -16.051  -1.443   6.356
  596   1HH1  ARG  77          1HH1      ARG  77 -16.837  -2.078   9.687
  597   2HH1  ARG  77          2HH1      ARG  77 -16.646  -0.426  10.161
  598   1HH2  ARG  77          1HH2      ARG  77 -15.809   0.695   6.996
  599   2HH2  ARG  77          2HH2      ARG  77 -16.069   1.134   8.651
  600    H    HIS  78           H        HIS  78 -14.430  -3.594   6.244
  601    HA   HIS  78           HA       HIS  78 -11.879  -5.107   6.700
  602   1HB   HIS  78          1HB       HIS  78 -10.804  -2.887   6.353
  603   2HB   HIS  78          2HB       HIS  78 -11.779  -3.354   4.960
  604    HD1  HIS  78           HD1      HIS  78 -13.448  -1.659   4.207
  605    HD2  HIS  78           HD2      HIS  78 -12.381  -1.094   8.197
  606    HE1  HIS  78           HE1      HIS  78 -14.633   0.444   4.975
  607    H    GLU  79           H        GLU  79 -10.551  -3.995   8.514
  608    HA   GLU  79           HA       GLU  79 -12.290  -2.876  10.667
  609   1HB   GLU  79          1HB       GLU  79 -11.923  -5.478  10.626
  610   2HB   GLU  79          2HB       GLU  79 -10.300  -5.088  11.192
  611   1HG   GLU  79          1HG       GLU  79 -11.735  -5.492  13.120
  612   2HG   GLU  79          2HG       GLU  79 -11.320  -3.779  13.065
  613    H    LEU  80           H        LEU  80 -11.045  -1.724  12.296
  614    HA   LEU  80           HA       LEU  80  -8.227  -1.117  11.460
  615   1HB   LEU  80          1HB       LEU  80 -10.494   0.623  12.461
  616   2HB   LEU  80          2HB       LEU  80  -8.826   1.183  12.447
  617    HG   LEU  80           HG       LEU  80 -10.004  -0.012   9.958
  618   1HD1  LEU  80          1HD1      LEU  80 -10.159   2.942  10.351
  619   2HD1  LEU  80          2HD1      LEU  80 -11.400   1.958  11.129
  620   3HD1  LEU  80          3HD1      LEU  80 -11.183   1.884   9.380
  621   1HD2  LEU  80          1HD2      LEU  80  -8.354   1.394   8.894
  622   2HD2  LEU  80          2HD2      LEU  80  -7.564   0.561  10.232
  623   3HD2  LEU  80          3HD2      LEU  80  -8.042   2.248  10.405
  624    H    THR  81           H        THR  81  -6.704  -1.004  13.135
  625    HA   THR  81           HA       THR  81  -7.345  -2.340  15.629
  626    HB   THR  81           HB       THR  81  -4.921  -1.637  16.088
  627    HG1  THR  81           HG1      THR  81  -3.892  -0.791  14.175
  628   1HG2  THR  81          1HG2      THR  81  -5.730  -3.746  14.848
  629   2HG2  THR  81          2HG2      THR  81  -4.055  -3.261  14.587
  630   3HG2  THR  81          3HG2      THR  81  -5.278  -2.902  13.367
  631    H    ALA  82           H        ALA  82  -5.911   0.912  15.146
  632    HA   ALA  82           HA       ALA  82  -7.861   2.288  16.764
  633   1HB   ALA  82          1HB       ALA  82  -5.964   2.582  18.638
  634   2HB   ALA  82          2HB       ALA  82  -5.464   1.005  18.026
  635   3HB   ALA  82          3HB       ALA  82  -7.087   1.223  18.681
  636    H    GLY  83           H        GLY  83  -4.490   2.143  15.646
  637   1HA   GLY  83          1HA       GLY  83  -4.477   5.123  15.481
  638   2HA   GLY  83          2HA       GLY  83  -3.031   4.114  15.513
  639    H    LEU  84           H        LEU  84  -5.783   3.210  13.548
  640    HA   LEU  84           HA       LEU  84  -5.950   2.952  11.201
  641   1HB   LEU  84          1HB       LEU  84  -4.559   5.606  11.648
  642   2HB   LEU  84          2HB       LEU  84  -5.017   5.068  10.033
  643    HG   LEU  84           HG       LEU  84  -7.018   5.099  12.290
  644   1HD1  LEU  84          1HD1      LEU  84  -5.697   7.375  11.300
  645   2HD1  LEU  84          2HD1      LEU  84  -7.198   7.346  12.226
  646   3HD1  LEU  84          3HD1      LEU  84  -7.249   7.342  10.463
  647   1HD2  LEU  84          1HD2      LEU  84  -8.485   4.521  10.667
  648   2HD2  LEU  84          2HD2      LEU  84  -7.073   4.166   9.671
  649   3HD2  LEU  84          3HD2      LEU  84  -7.856   5.742   9.561
  650    H    LYS  85           H        LYS  85  -3.491   1.858  12.600
  651    HA   LYS  85           HA       LYS  85  -1.417   2.171  10.502
  652   1HB   LYS  85          1HB       LYS  85  -1.604   1.340  13.333
  653   2HB   LYS  85          2HB       LYS  85  -0.344   0.559  12.384
  654   1HG   LYS  85          1HG       LYS  85   0.812   2.528  12.056
  655   2HG   LYS  85          2HG       LYS  85  -0.649   3.515  12.108
  656   1HD   LYS  85          1HD       LYS  85  -0.726   2.705  14.621
  657   2HD   LYS  85          2HD       LYS  85   0.998   2.443  14.367
  658   1HE   LYS  85          1HE       LYS  85   0.943   4.880  13.368
  659   2HE   LYS  85          2HE       LYS  85  -0.550   5.024  14.316
  660   1HZ   LYS  85          1HZ       LYS  85   1.524   5.584  15.571
  661   2HZ   LYS  85          2HZ       LYS  85   2.006   3.964  15.404
  662   3HZ   LYS  85          3HZ       LYS  85   0.599   4.345  16.275
  663    H    ARG  86           H        ARG  86  -3.489  -0.313  11.977
  664    HA   ARG  86           HA       ARG  86  -2.580  -2.222   9.845
  665   1HB   ARG  86          1HB       ARG  86  -2.900  -2.361  12.755
  666   2HB   ARG  86          2HB       ARG  86  -3.749  -3.669  11.930
  667   1HG   ARG  86          1HG       ARG  86  -1.813  -4.691  11.364
  668   2HG   ARG  86          2HG       ARG  86  -1.099  -3.181  10.798
  669   1HD   ARG  86          1HD       ARG  86  -0.272  -2.628  12.941
  670   2HD   ARG  86          2HD       ARG  86  -1.394  -3.734  13.756
  671    HE   ARG  86           HE       ARG  86   0.088  -5.369  12.054
  672   1HH1  ARG  86          1HH1      ARG  86   0.811  -3.111  14.603
  673   2HH1  ARG  86          2HH1      ARG  86   2.251  -3.941  15.080
  674   1HH2  ARG  86          1HH2      ARG  86   1.963  -6.429  12.691
  675   2HH2  ARG  86          2HH2      ARG  86   2.901  -5.805  14.007
  676    H    MET  87           H        MET  87  -4.175  -3.075   8.545
  677    HA   MET  87           HA       MET  87  -7.030  -2.585   9.331
  678   1HB   MET  87          1HB       MET  87  -5.420  -1.926   6.922
  679   2HB   MET  87          2HB       MET  87  -7.029  -2.569   6.597
  680   1HG   MET  87          1HG       MET  87  -7.877  -0.858   8.318
  681   2HG   MET  87          2HG       MET  87  -6.289  -0.106   8.183
  682   1HE   MET  87          1HE       MET  87  -8.877  -1.860   6.381
  683   2HE   MET  87          2HE       MET  87  -8.327  -1.632   4.720
  684   3HE   MET  87          3HE       MET  87  -9.662  -0.665   5.348
  685    H    ARG  88           H        ARG  88  -7.969  -4.567   9.656
  686    HA   ARG  88           HA       ARG  88  -6.935  -6.921   8.144
  687   1HB   ARG  88          1HB       ARG  88  -8.813  -6.669  10.522
  688   2HB   ARG  88          2HB       ARG  88  -8.128  -8.173   9.909
  689   1HG   ARG  88          1HG       ARG  88  -6.055  -7.747  10.795
  690   2HG   ARG  88          2HG       ARG  88  -6.195  -6.005  10.556
  691   1HD   ARG  88          1HD       ARG  88  -7.796  -5.885  12.455
  692   2HD   ARG  88          2HD       ARG  88  -7.593  -7.628  12.714
  693    HE   ARG  88           HE       ARG  88  -4.994  -6.564  12.614
  694   1HH1  ARG  88          1HH1      ARG  88  -7.858  -6.155  14.550
  695   2HH1  ARG  88          2HH1      ARG  88  -6.970  -5.729  15.971
  696   1HH2  ARG  88          1HH2      ARG  88  -3.863  -6.008  14.473
  697   2HH2  ARG  88          2HH2      ARG  88  -4.725  -5.646  15.931
  698    H    ILE  89           H        ILE  89  -8.180  -7.828   6.536
  699    HA   ILE  89           HA       ILE  89 -10.826  -6.639   5.957
  700    HB   ILE  89           HB       ILE  89  -9.002  -8.641   4.573
  701   1HG1  ILE  89          1HG1      ILE  89  -9.745  -6.010   3.398
  702   2HG1  ILE  89          2HG1      ILE  89  -8.678  -5.967   4.801
  703   1HG2  ILE  89          1HG2      ILE  89 -11.574  -7.391   3.555
  704   2HG2  ILE  89          2HG2      ILE  89 -11.391  -9.077   4.038
  705   3HG2  ILE  89          3HG2      ILE  89 -10.508  -8.460   2.643
  706   1HD1  ILE  89          1HD1      ILE  89  -8.012  -7.978   2.717
  707   2HD1  ILE  89          2HD1      ILE  89  -6.943  -6.955   3.677
  708   3HD1  ILE  89          3HD1      ILE  89  -7.771  -6.288   2.266
  709    H    PHE  90           H        PHE  90 -12.273  -7.509   7.478
  710    HA   PHE  90           HA       PHE  90 -12.272 -10.411   8.034
  711   1HB   PHE  90          1HB       PHE  90 -13.554  -7.905   9.058
  712   2HB   PHE  90          2HB       PHE  90 -14.375  -9.430   9.385
  713    HD1  PHE  90           HD1      PHE  90 -13.314 -11.167  10.763
  714    HD2  PHE  90           HD2      PHE  90 -11.386  -7.397  10.039
  715    HE1  PHE  90           HE1      PHE  90 -11.723 -11.626  12.609
  716    HE2  PHE  90           HE2      PHE  90  -9.795  -7.856  11.885
  717    HZ   PHE  90           HZ       PHE  90  -9.963  -9.971  13.170
  718    H    THR  91           H        THR  91 -14.901 -11.027   8.295
  719    HA   THR  91           HA       THR  91 -16.150 -10.463   5.630
  720    HB   THR  91           HB       THR  91 -16.786 -12.932   5.702
  721    HG1  THR  91           HG1      THR  91 -14.766 -13.027   7.681
  722   1HG2  THR  91          1HG2      THR  91 -14.801 -13.566   4.656
  723   2HG2  THR  91          2HG2      THR  91 -13.795 -12.691   5.810
  724   3HG2  THR  91          3HG2      THR  91 -14.687 -11.808   4.571
  725    H    ILE  92           H        ILE  92 -17.798  -9.127   6.487
  726    HA   ILE  92           HA       ILE  92 -19.200  -9.461   8.916
  727    HB   ILE  92           HB       ILE  92 -20.948  -8.116   7.720
  728   1HG1  ILE  92          1HG1      ILE  92 -19.192  -8.422   5.278
  729   2HG1  ILE  92          2HG1      ILE  92 -20.609  -9.436   5.553
  730   1HG2  ILE  92          1HG2      ILE  92 -19.185  -6.792   8.563
  731   2HG2  ILE  92          2HG2      ILE  92 -19.279  -6.319   6.866
  732   3HG2  ILE  92          3HG2      ILE  92 -18.026  -7.438   7.403
  733   1HD1  ILE  92          1HD1      ILE  92 -21.622  -7.731   4.379
  734   2HD1  ILE  92          2HD1      ILE  92 -20.450  -6.526   4.915
  735   3HD1  ILE  92          3HD1      ILE  92 -21.739  -7.047   6.000
  736    H    LYS  93           H        LYS  93 -19.412 -11.279   5.950
  737    HA   LYS  93           HA       LYS  93 -21.454 -13.039   7.208
  738   1HB   LYS  93          1HB       LYS  93 -22.760 -12.946   5.066
  739   2HB   LYS  93          2HB       LYS  93 -22.686 -11.383   5.878
  740   1HG   LYS  93          1HG       LYS  93 -21.724 -10.474   4.059
  741   2HG   LYS  93          2HG       LYS  93 -20.393 -11.623   4.181
  742   1HD   LYS  93          1HD       LYS  93 -21.257 -12.132   2.070
  743   2HD   LYS  93          2HD       LYS  93 -22.108 -13.293   3.090
  744   1HE   LYS  93          1HE       LYS  93 -24.127 -12.118   2.965
  745   2HE   LYS  93          2HE       LYS  93 -23.321 -10.575   2.624
  746   1HZ   LYS  93          1HZ       LYS  93 -23.153 -12.907   0.796
  747   2HZ   LYS  93          2HZ       LYS  93 -22.750 -11.290   0.467
  748   3HZ   LYS  93          3HZ       LYS  93 -24.377 -11.738   0.653
  749    HA   PRO  94           HA       PRO  94 -19.148 -16.372   5.549
  750   1HB   PRO  94          1HB       PRO  94 -21.609 -17.370   4.183
  751   2HB   PRO  94          2HB       PRO  94 -20.556 -18.196   5.346
  752   1HG   PRO  94          1HG       PRO  94 -22.977 -17.260   6.022
  753   2HG   PRO  94          2HG       PRO  94 -21.620 -17.282   7.156
  754   1HD   PRO  94          1HD       PRO  94 -22.849 -14.993   5.725
  755   2HD   PRO  94          2HD       PRO  94 -22.035 -15.042   7.306
  756    H    ILE  95           H        ILE  95 -18.249 -17.155   3.517
  757    HA   ILE  95           HA       ILE  95 -19.178 -15.736   1.054
  758    HB   ILE  95           HB       ILE  95 -16.422 -15.802   2.319
  759   1HG1  ILE  95          1HG1      ILE  95 -18.203 -13.525   1.407
  760   2HG1  ILE  95          2HG1      ILE  95 -17.997 -14.048   3.079
  761   1HG2  ILE  95          1HG2      ILE  95 -15.512 -14.785   0.334
  762   2HG2  ILE  95          2HG2      ILE  95 -17.110 -14.671  -0.409
  763   3HG2  ILE  95          3HG2      ILE  95 -16.353 -16.247  -0.178
  764   1HD1  ILE  95          1HD1      ILE  95 -15.539 -13.600   2.854
  765   2HD1  ILE  95          2HD1      ILE  95 -16.529 -12.151   2.673
  766   3HD1  ILE  95          3HD1      ILE  95 -15.848 -12.938   1.249
  767    H    ALA  96           H        ALA  96 -19.160 -17.083  -0.715
  768    HA   ALA  96           HA       ALA  96 -18.169 -19.858  -0.340
  769   1HB   ALA  96          1HB       ALA  96 -20.211 -18.381  -1.882
  770   2HB   ALA  96          2HB       ALA  96 -20.253 -20.036  -1.270
  771   3HB   ALA  96          3HB       ALA  96 -19.430 -19.677  -2.789
  772    H    ILE  97           H        ILE  97 -17.105 -20.878  -2.300
  773    HA   ILE  97           HA       ILE  97 -14.740 -19.461  -3.078
  774    HB   ILE  97           HB       ILE  97 -16.162 -21.904  -4.200
  775   1HG1  ILE  97          1HG1      ILE  97 -13.790 -22.508  -2.740
  776   2HG1  ILE  97          2HG1      ILE  97 -14.748 -21.400  -1.757
  777   1HG2  ILE  97          1HG2      ILE  97 -14.559 -21.998  -5.776
  778   2HG2  ILE  97          2HG2      ILE  97 -13.321 -21.994  -4.520
  779   3HG2  ILE  97          3HG2      ILE  97 -13.898 -20.470  -5.195
  780   1HD1  ILE  97          1HD1      ILE  97 -16.722 -23.025  -2.590
  781   2HD1  ILE  97          2HD1      ILE  97 -15.775 -23.365  -1.141
  782   3HD1  ILE  97          3HD1      ILE  97 -15.381 -24.169  -2.661
  783    H    GLY  98           H        GLY  98 -14.642 -17.813  -4.547
  784   1HA   GLY  98          1HA       GLY  98 -14.858 -17.050  -6.850
  785   2HA   GLY  98          2HA       GLY  98 -16.332 -18.009  -6.991
  786    H    GLU  99           H        GLU  99 -15.661 -15.967  -4.202
  787    HA   GLU  99           HA       GLU  99 -18.036 -14.312  -4.957
  788   1HB   GLU  99          1HB       GLU  99 -16.805 -15.395  -2.501
  789   2HB   GLU  99          2HB       GLU  99 -17.380 -13.736  -2.345
  790   1HG   GLU  99          1HG       GLU  99 -19.043 -16.023  -3.442
  791   2HG   GLU  99          2HG       GLU  99 -19.127 -15.443  -1.778
  792    H    GLU 100           H        GLU 100 -17.820 -12.057  -5.184
  793    HA   GLU 100           HA       GLU 100 -15.059 -11.014  -5.358
  794   1HB   GLU 100          1HB       GLU 100 -17.309 -10.656  -6.836
  795   2HB   GLU 100          2HB       GLU 100 -17.451  -9.275  -5.747
  796   1HG   GLU 100          1HG       GLU 100 -14.725  -9.603  -6.748
  797   2HG   GLU 100          2HG       GLU 100 -15.885  -9.391  -8.058
  798    H    ILE 101           H        ILE 101 -14.139 -10.077  -3.612
  799    HA   ILE 101           HA       ILE 101 -15.772  -9.293  -1.292
  800    HB   ILE 101           HB       ILE 101 -12.790  -9.353  -1.884
  801   1HG1  ILE 101          1HG1      ILE 101 -14.318 -11.203  -0.062
  802   2HG1  ILE 101          2HG1      ILE 101 -14.231 -11.521  -1.794
  803   1HG2  ILE 101          1HG2      ILE 101 -12.496  -8.239   0.048
  804   2HG2  ILE 101          2HG2      ILE 101 -13.370  -9.511   0.900
  805   3HG2  ILE 101          3HG2      ILE 101 -14.243  -8.120   0.259
  806   1HD1  ILE 101          1HD1      ILE 101 -12.072 -12.195  -1.664
  807   2HD1  ILE 101          2HD1      ILE 101 -12.334 -12.288   0.078
  808   3HD1  ILE 101          3HD1      ILE 101 -11.629 -10.835  -0.632
  809    H    THR 102           H        THR 102 -16.467  -7.249  -1.016
  810    HA   THR 102           HA       THR 102 -14.807  -4.961  -1.945
  811    HB   THR 102           HB       THR 102 -16.781  -3.996  -3.072
  812    HG1  THR 102           HG1      THR 102 -18.639  -4.720  -2.481
  813   1HG2  THR 102          1HG2      THR 102 -16.913  -5.522  -4.952
  814   2HG2  THR 102          2HG2      THR 102 -16.399  -6.875  -3.943
  815   3HG2  THR 102          3HG2      THR 102 -15.268  -5.573  -4.315
  816    H    ILE 103           H        ILE 103 -16.237  -2.857  -1.195
  817    HA   ILE 103           HA       ILE 103 -17.638  -3.373   1.365
  818    HB   ILE 103           HB       ILE 103 -16.038  -1.931   2.592
  819   1HG1  ILE 103          1HG1      ILE 103 -13.863  -1.947   0.725
  820   2HG1  ILE 103          2HG1      ILE 103 -15.263  -1.206  -0.050
  821   1HG2  ILE 103          1HG2      ILE 103 -15.693  -4.440   2.342
  822   2HG2  ILE 103          2HG2      ILE 103 -14.246  -3.515   2.742
  823   3HG2  ILE 103          3HG2      ILE 103 -14.509  -4.066   1.089
  824   1HD1  ILE 103          1HD1      ILE 103 -14.767  -0.391   2.758
  825   2HD1  ILE 103          2HD1      ILE 103 -15.264   0.584   1.375
  826   3HD1  ILE 103          3HD1      ILE 103 -13.567   0.149   1.584
  827    H    SER 104           H        SER 104 -18.673  -1.382   2.189
  828    HA   SER 104           HA       SER 104 -19.410   0.443  -0.035
  829   1HB   SER 104          1HB       SER 104 -21.079  -0.763   1.418
  830   2HB   SER 104          2HB       SER 104 -20.484   0.161   2.796
  831    HG   SER 104           HG       SER 104 -22.288   0.880   1.008
  832    H    TYR 105           H        TYR 105 -20.020   2.771   1.135
  833    HA   TYR 105           HA       TYR 105 -17.513   3.661   2.531
  834   1HB   TYR 105          1HB       TYR 105 -19.171   5.240   0.532
  835   2HB   TYR 105          2HB       TYR 105 -17.569   5.644   1.144
  836    HD1  TYR 105           HD1      TYR 105 -16.068   3.172   0.963
  837    HD2  TYR 105           HD2      TYR 105 -18.989   4.772  -1.750
  838    HE1  TYR 105           HE1      TYR 105 -15.042   1.893  -0.898
  839    HE2  TYR 105           HE2      TYR 105 -17.963   3.494  -3.610
  840    HH   TYR 105           HH       TYR 105 -14.924   2.080  -3.412
  841    H    GLY 106           H        GLY 106 -20.723   5.021   1.690
  842   1HA   GLY 106          1HA       GLY 106 -22.385   5.936   3.077
  843   2HA   GLY 106          2HA       GLY 106 -21.589   5.160   4.444
  844    H    ASP 107           H        ASP 107 -22.055   7.200   5.594
  845    HA   ASP 107           HA       ASP 107 -21.381   9.273   6.481
  846   1HB   ASP 107          1HB       ASP 107 -18.974   7.981   5.272
  847   2HB   ASP 107          2HB       ASP 107 -18.820   9.676   5.735
  848    H    ASP 108           H        ASP 108 -19.287   9.605   3.644
  849    HA   ASP 108           HA       ASP 108 -21.157  11.702   2.596
  850   1HB   ASP 108          1HB       ASP 108 -18.581  11.942   3.787
  851   2HB   ASP 108          2HB       ASP 108 -18.380  12.281   2.068
  852    H    TYR 109           H        TYR 109 -18.580   9.365   1.863
  853    HA   TYR 109           HA       TYR 109 -18.207   9.710  -0.872
  854   1HB   TYR 109          1HB       TYR 109 -17.990   7.613   1.138
  855   2HB   TYR 109          2HB       TYR 109 -18.399   6.934  -0.437
  856    HD1  TYR 109           HD1      TYR 109 -16.119   9.514   1.064
  857    HD2  TYR 109           HD2      TYR 109 -16.665   6.476  -1.922
  858    HE1  TYR 109           HE1      TYR 109 -13.773   9.824   0.321
  859    HE2  TYR 109           HE2      TYR 109 -14.319   6.785  -2.666
  860    HH   TYR 109           HH       TYR 109 -12.013   8.143  -0.954
  861    H    TRP 110           H        TRP 110 -20.008  10.254  -2.135
  862    HA   TRP 110           HA       TRP 110 -22.619   9.193  -2.000
  863   1HB   TRP 110          1HB       TRP 110 -22.820  10.139  -4.226
  864   2HB   TRP 110          2HB       TRP 110 -21.734  11.172  -3.300
  865    HD1  TRP 110           HD1      TRP 110 -19.158  11.168  -3.955
  866    HE1  TRP 110           HE1      TRP 110 -17.914  10.335  -6.059
  867    HE3  TRP 110           HE3      TRP 110 -22.822   8.335  -6.053
  868    HZ2  TRP 110           HZ2      TRP 110 -18.426   8.668  -8.341
  869    HZ3  TRP 110           HZ3      TRP 110 -22.437   7.134  -8.170
  870    HH2  TRP 110           HH2      TRP 110 -20.245   7.294  -9.330
  871    H    LEU 111           H        LEU 111 -23.285   7.111  -2.237
  872    HA   LEU 111           HA       LEU 111 -21.513   5.101  -3.432
  873   1HB   LEU 111          1HB       LEU 111 -23.322   5.163  -1.393
  874   2HB   LEU 111          2HB       LEU 111 -24.326   4.482  -2.672
  875    HG   LEU 111           HG       LEU 111 -22.676   2.702  -3.050
  876   1HD1  LEU 111          1HD1      LEU 111 -21.009   4.498  -1.489
  877   2HD1  LEU 111          2HD1      LEU 111 -20.535   3.135  -2.503
  878   3HD1  LEU 111          3HD1      LEU 111 -20.988   2.867  -0.819
  879   1HD2  LEU 111          1HD2      LEU 111 -24.416   2.340  -1.341
  880   2HD2  LEU 111          2HD2      LEU 111 -23.366   3.052  -0.116
  881   3HD2  LEU 111          3HD2      LEU 111 -22.917   1.531  -0.887
  882    H    SER 112           H        SER 112 -23.805   3.474  -4.410
  883    HA   SER 112           HA       SER 112 -24.252   4.915  -7.001
  884   1HB   SER 112          1HB       SER 112 -22.931   2.522  -6.359
  885   2HB   SER 112          2HB       SER 112 -24.480   2.003  -7.030
  886    HG   SER 112           HG       SER 112 -24.062   3.149  -8.875
  887    H    ARG 113           H        ARG 113 -26.302   5.761  -6.055
  888    HA   ARG 113           HA       ARG 113 -28.637   5.658  -5.699
  889   1HB   ARG 113          1HB       ARG 113 -27.920   4.427  -8.032
  890   2HB   ARG 113          2HB       ARG 113 -28.782   3.116  -7.227
  891   1HG   ARG 113          1HG       ARG 113 -30.737   4.549  -6.915
  892   2HG   ARG 113          2HG       ARG 113 -29.873   5.919  -7.612
  893   1HD   ARG 113          1HD       ARG 113 -29.552   4.161  -9.633
  894   2HD   ARG 113          2HD       ARG 113 -31.082   3.555  -8.971
  895    HE   ARG 113           HE       ARG 113 -32.110   5.583  -9.643
  896   1HH1  ARG 113          1HH1      ARG 113 -28.641   5.885  -9.635
  897   2HH1  ARG 113          2HH1      ARG 113 -28.667   7.457 -10.354
  898   1HH2  ARG 113          1HH2      ARG 113 -32.116   7.625 -10.576
  899   2HH2  ARG 113          2HH2      ARG 113 -30.618   8.437 -10.884
  900    HA   PRO 114           HA       PRO 114 -27.883   1.968  -2.796
  901   1HB   PRO 114          1HB       PRO 114 -27.749   3.490  -0.469
  902   2HB   PRO 114          2HB       PRO 114 -26.340   2.895  -1.362
  903   1HG   PRO 114          1HG       PRO 114 -27.578   5.592  -1.339
  904   2HG   PRO 114          2HG       PRO 114 -25.879   5.130  -1.503
  905   1HD   PRO 114          1HD       PRO 114 -27.431   5.949  -3.590
  906   2HD   PRO 114          2HD       PRO 114 -26.045   4.853  -3.770
  907    H    ARG 115           H        ARG 115 -29.445   4.943  -1.539
  908    HA   ARG 115           HA       ARG 115 -31.672   5.347  -0.872
  909   1HB   ARG 115          1HB       ARG 115 -31.731   3.690  -3.170
  910   2HB   ARG 115          2HB       ARG 115 -32.895   2.992  -2.044
  911   1HG   ARG 115          1HG       ARG 115 -34.345   4.682  -2.396
  912   2HG   ARG 115          2HG       ARG 115 -33.100   5.887  -2.069
  913   1HD   ARG 115          1HD       ARG 115 -32.954   6.355  -4.280
  914   2HD   ARG 115          2HD       ARG 115 -32.579   4.658  -4.630
  915    HE   ARG 115           HE       ARG 115 -35.340   4.765  -4.058
  916   1HH1  ARG 115          1HH1      ARG 115 -33.124   6.078  -6.399
  917   2HH1  ARG 115          2HH1      ARG 115 -34.318   6.158  -7.647
  918   1HH2  ARG 115          1HH2      ARG 115 -36.873   4.879  -5.695
  919   2HH2  ARG 115          2HH2      ARG 115 -36.425   5.485  -7.254
  920    H    LEU 116           H        LEU 116 -31.726   1.777  -1.038
  921    HA   LEU 116           HA       LEU 116 -32.172   0.192   0.656
  922   1HB   LEU 116          1HB       LEU 116 -30.369   2.304   1.791
  923   2HB   LEU 116          2HB       LEU 116 -31.015   1.094   2.899
  924    HG   LEU 116           HG       LEU 116 -28.838   0.381   1.964
  925   1HD1  LEU 116          1HD1      LEU 116 -29.503  -1.802   1.753
  926   2HD1  LEU 116          2HD1      LEU 116 -30.739  -1.417   0.556
  927   3HD1  LEU 116          3HD1      LEU 116 -31.054  -1.139   2.269
  928   1HD2  LEU 116          1HD2      LEU 116 -28.642  -0.101  -0.434
  929   2HD2  LEU 116          2HD2      LEU 116 -29.048   1.599  -0.192
  930   3HD2  LEU 116          3HD2      LEU 116 -30.295   0.458  -0.696
  931    H    THR 117           H        THR 117 -34.304   2.045   0.182
  932    HA   THR 117           HA       THR 117 -35.322   3.350   2.493
  933    HB   THR 117           HB       THR 117 -36.825   1.909   0.276
  934    HG1  THR 117           HG1      THR 117 -36.619   3.901  -0.805
  935   1HG2  THR 117          1HG2      THR 117 -37.528   3.923   2.360
  936   2HG2  THR 117          2HG2      THR 117 -38.518   2.647   1.651
  937   3HG2  THR 117          3HG2      THR 117 -38.236   4.143   0.760
  938    H    GLN 118           H        GLN 118 -37.024   2.608   3.967
  939    HA   GLN 118           HA       GLN 118 -36.795  -0.310   4.571
  940   1HB   GLN 118          1HB       GLN 118 -36.649   2.106   6.063
  941   2HB   GLN 118          2HB       GLN 118 -38.126   1.290   6.578
  942   1HG   GLN 118          1HG       GLN 118 -36.974  -0.362   7.618
  943   2HG   GLN 118          2HG       GLN 118 -35.850  -0.537   6.269
  944   1HE2  GLN 118          1HE2      GLN 118 -36.444   1.245   9.287
  945   2HE2  GLN 118          2HE2      GLN 118 -34.875   1.878   9.423
  946    H    ASN 119           H        ASN 119 -38.528   0.283   2.452
  947    HA   ASN 119           HA       ASN 119 -41.226  -0.049   3.727
  948   1HB   ASN 119          1HB       ASN 119 -40.743   2.120   2.498
  949   2HB   ASN 119          2HB       ASN 119 -40.547   1.168   1.026
  950   1HD2  ASN 119          1HD2      ASN 119 -42.890   2.538   3.227
  951   2HD2  ASN 119          2HD2      ASN 119 -44.274   1.977   2.420
  952   1H    GLY 201          1H        GLY 201 -28.995  17.585  -8.706
  953   2H    GLY 201          2H        GLY 201 -30.207  18.045  -9.803
  954   3H    GLY 201          3H        GLY 201 -30.517  18.074  -8.134
  955   1HA   GLY 201          1HA       GLY 201 -29.319  19.973  -7.776
  956   2HA   GLY 201          2HA       GLY 201 -28.315  19.698  -9.199
  957    H    LYS 202           H        LYS 202 -29.987  22.069  -8.402
  958    HA   LYS 202           HA       LYS 202 -31.978  22.105 -10.629
  959   1HB   LYS 202          1HB       LYS 202 -31.693  23.240  -7.939
  960   2HB   LYS 202          2HB       LYS 202 -32.172  24.452  -9.128
  961   1HG   LYS 202          1HG       LYS 202 -34.142  23.295  -9.693
  962   2HG   LYS 202          2HG       LYS 202 -33.545  21.771  -9.036
  963   1HD   LYS 202          1HD       LYS 202 -35.070  22.496  -7.396
  964   2HD   LYS 202          2HD       LYS 202 -33.515  23.029  -6.757
  965   1HE   LYS 202          1HE       LYS 202 -33.892  25.291  -7.510
  966   2HE   LYS 202          2HE       LYS 202 -35.320  24.800  -8.441
  967   1HZ   LYS 202          1HZ       LYS 202 -34.955  24.824  -5.500
  968   2HZ   LYS 202          2HZ       LYS 202 -36.160  23.880  -6.234
  969   3HZ   LYS 202          3HZ       LYS 202 -36.177  25.569  -6.413
  970    H    ALA 203           H        ALA 203 -29.172  23.868  -9.323
  971    HA   ALA 203           HA       ALA 203 -28.992  25.325 -11.941
  972   1HB   ALA 203          1HB       ALA 203 -29.641  26.681  -9.923
  973   2HB   ALA 203          2HB       ALA 203 -28.113  27.202 -10.632
  974   3HB   ALA 203          3HB       ALA 203 -28.116  26.218  -9.169
  975    HA   PRO 204           HA       PRO 204 -24.995  23.549 -12.393
  976   1HB   PRO 204          1HB       PRO 204 -23.661  25.662 -13.606
  977   2HB   PRO 204          2HB       PRO 204 -24.746  24.548 -14.458
  978   1HG   PRO 204          1HG       PRO 204 -25.256  27.298 -13.447
  979   2HG   PRO 204          2HG       PRO 204 -25.844  26.509 -14.917
  980   1HD   PRO 204          1HD       PRO 204 -27.377  26.859 -12.703
  981   2HD   PRO 204          2HD       PRO 204 -27.594  25.500 -13.827
  982    H    ARG 205           H        ARG 205 -23.482  23.318 -10.798
  983    HA   ARG 205           HA       ARG 205 -22.924  25.602  -8.986
  984   1HB   ARG 205          1HB       ARG 205 -22.626  22.612  -8.990
  985   2HB   ARG 205          2HB       ARG 205 -21.625  23.555  -7.885
  986   1HG   ARG 205          1HG       ARG 205 -23.446  24.306  -6.661
  987   2HG   ARG 205          2HG       ARG 205 -24.550  24.174  -8.029
  988   1HD   ARG 205          1HD       ARG 205 -24.556  21.731  -7.838
  989   2HD   ARG 205          2HD       ARG 205 -23.355  21.809  -6.535
  990    HE   ARG 205           HE       ARG 205 -25.077  22.523  -5.071
  991   1HH1  ARG 205          1HH1      ARG 205 -26.046  22.873  -8.396
  992   2HH1  ARG 205          2HH1      ARG 205 -27.668  23.316  -7.992
  993   1HH2  ARG 205          1HH2      ARG 205 -27.189  23.101  -4.571
  994   2HH2  ARG 205          2HH2      ARG 205 -28.312  23.445  -5.844
  995    H    LYS 206           H        LYS 206 -20.688  26.169  -8.471
  996    HA   LYS 206           HA       LYS 206 -18.777  25.537 -10.698
  997   1HB   LYS 206          1HB       LYS 206 -19.914  27.947  -9.941
  998   2HB   LYS 206          2HB       LYS 206 -18.358  27.987  -9.111
  999   1HG   LYS 206          1HG       LYS 206 -17.800  28.883 -11.195
 1000   2HG   LYS 206          2HG       LYS 206 -17.421  27.177 -11.432
 1001   1HD   LYS 206          1HD       LYS 206 -18.708  27.838 -13.340
 1002   2HD   LYS 206          2HD       LYS 206 -19.800  26.907 -12.315
 1003   1HE   LYS 206          1HE       LYS 206 -21.200  28.697 -12.369
 1004   2HE   LYS 206          2HE       LYS 206 -20.002  29.569 -11.394
 1005   1HZ   LYS 206          1HZ       LYS 206 -20.231  29.439 -14.348
 1006   2HZ   LYS 206          2HZ       LYS 206 -18.791  29.917 -13.584
 1007   3HZ   LYS 206          3HZ       LYS 206 -20.212  30.820 -13.358
 1008    H    GLN 207           H        GLN 207 -19.073  26.255  -7.216
 1009    HA   GLN 207           HA       GLN 207 -16.275  25.675  -6.643
 1010   1HB   GLN 207          1HB       GLN 207 -18.762  25.858  -4.899
 1011   2HB   GLN 207          2HB       GLN 207 -17.102  25.888  -4.304
 1012   1HG   GLN 207          1HG       GLN 207 -16.971  28.097  -4.711
 1013   2HG   GLN 207          2HG       GLN 207 -17.366  27.825  -6.408
 1014   1HE2  GLN 207          1HE2      GLN 207 -18.398  29.645  -3.906
 1015   2HE2  GLN 207          2HE2      GLN 207 -20.067  29.684  -4.211
 1016    H    LEU 208           H        LEU 208 -15.677  23.858  -5.121
 1017    HA   LEU 208           HA       LEU 208 -17.455  21.479  -5.248
 1018   1HB   LEU 208          1HB       LEU 208 -15.061  22.016  -6.860
 1019   2HB   LEU 208          2HB       LEU 208 -14.950  20.494  -5.975
 1020    HG   LEU 208           HG       LEU 208 -17.380  21.265  -7.608
 1021   1HD1  LEU 208          1HD1      LEU 208 -14.947  19.641  -8.411
 1022   2HD1  LEU 208          2HD1      LEU 208 -15.479  21.161  -9.129
 1023   3HD1  LEU 208          3HD1      LEU 208 -16.451  19.703  -9.330
 1024   1HD2  LEU 208          1HD2      LEU 208 -17.777  18.809  -7.504
 1025   2HD2  LEU 208          2HD2      LEU 208 -17.736  19.542  -5.901
 1026   3HD2  LEU 208          3HD2      LEU 208 -16.341  18.641  -6.493
 1027    H    ALA 209           H        ALA 209 -16.551  19.689  -3.864
 1028    HA   ALA 209           HA       ALA 209 -14.975  20.828  -1.584
 1029   1HB   ALA 209          1HB       ALA 209 -16.309  19.444  -0.200
 1030   2HB   ALA 209          2HB       ALA 209 -16.717  18.360  -1.529
 1031   3HB   ALA 209          3HB       ALA 209 -17.443  19.966  -1.446
 1032    H    THR 210           H        THR 210 -12.885  20.100  -1.590
 1033    HA   THR 210           HA       THR 210 -12.295  17.424  -2.784
 1034    HB   THR 210           HB       THR 210  -9.912  18.434  -2.613
 1035    HG1  THR 210           HG1      THR 210  -9.854  20.230  -1.562
 1036   1HG2  THR 210          1HG2      THR 210 -12.162  19.206  -4.383
 1037   2HG2  THR 210          2HG2      THR 210 -10.590  18.520  -4.794
 1038   3HG2  THR 210          3HG2      THR 210 -10.739  20.246  -4.463
 1039    H    LYS 211           H        LYS 211 -11.996  19.337   0.177
 1040    HA   LYS 211           HA       LYS 211 -10.495  17.204   1.563
 1041   1HB   LYS 211          1HB       LYS 211 -10.670  19.957   1.720
 1042   2HB   LYS 211          2HB       LYS 211 -11.655  19.449   3.092
 1043   1HG   LYS 211          1HG       LYS 211  -9.775  17.977   3.837
 1044   2HG   LYS 211          2HG       LYS 211  -8.792  18.624   2.524
 1045   1HD   LYS 211          1HD       LYS 211  -8.195  20.297   3.914
 1046   2HD   LYS 211          2HD       LYS 211  -9.856  20.880   3.814
 1047   1HE   LYS 211          1HE       LYS 211  -9.432  18.616   5.686
 1048   2HE   LYS 211          2HE       LYS 211  -8.684  20.152   6.162
 1049   1HZ   LYS 211          1HZ       LYS 211 -11.491  19.864   5.218
 1050   2HZ   LYS 211          2HZ       LYS 211 -10.763  21.276   5.817
 1051   3HZ   LYS 211          3HZ       LYS 211 -11.044  19.961   6.854
 1052    H    ALA 212           H        ALA 212 -11.447  16.738   3.900
 1053    HA   ALA 212           HA       ALA 212 -13.131  15.604   5.108
 1054   1HB   ALA 212          1HB       ALA 212 -14.752  17.145   5.548
 1055   2HB   ALA 212          2HB       ALA 212 -15.300  17.154   3.872
 1056   3HB   ALA 212          3HB       ALA 212 -13.937  18.162   4.360
 1057    H    ALA 213           H        ALA 213 -15.681  14.840   4.547
 1058    HA   ALA 213           HA       ALA 213 -16.884  13.179   3.376
 1059   1HB   ALA 213          1HB       ALA 213 -15.961  15.280   1.599
 1060   2HB   ALA 213          2HB       ALA 213 -17.490  14.403   1.565
 1061   3HB   ALA 213          3HB       ALA 213 -16.083  13.755   0.722
 1062    H    ARG 214           H        ARG 214 -14.918  11.840   4.417
 1063    HA   ARG 214           HA       ARG 214 -13.308  10.576   2.236
 1064   1HB   ARG 214          1HB       ARG 214 -13.064  10.940   5.218
 1065   2HB   ARG 214          2HB       ARG 214 -12.168   9.643   4.426
 1066   1HG   ARG 214          1HG       ARG 214 -12.063  12.551   3.573
 1067   2HG   ARG 214          2HG       ARG 214 -10.865  11.782   4.614
 1068   1HD   ARG 214          1HD       ARG 214  -9.789  11.103   2.734
 1069   2HD   ARG 214          2HD       ARG 214 -11.181  10.063   2.379
 1070    HE   ARG 214           HE       ARG 214 -11.864  11.660   0.778
 1071   1HH1  ARG 214          1HH1      ARG 214  -9.709  13.102   3.101
 1072   2HH1  ARG 214          2HH1      ARG 214  -9.670  14.625   2.282
 1073   1HH2  ARG 214          1HH2      ARG 214 -11.797  13.646  -0.265
 1074   2HH2  ARG 214          2HH2      ARG 214 -10.841  14.933   0.391
 1075   1HN   MLZ 215          1HN       MLZ 215 -12.805   8.115   3.246
 1076    HA   MLZ 215           HA       MLZ 215 -15.332   6.709   2.872
 1077   1HB   MLZ 215          1HB       MLZ 215 -12.433   6.169   3.079
 1078   2HB   MLZ 215          2HB       MLZ 215 -13.452   4.864   3.687
 1079   1HG   MLZ 215          1HG       MLZ 215 -14.205   6.116   1.080
 1080   2HG   MLZ 215          2HG       MLZ 215 -14.389   4.446   1.617
 1081   1HD   MLZ 215          1HD       MLZ 215 -11.866   5.825   0.674
 1082   2HD   MLZ 215          2HD       MLZ 215 -11.841   4.281   1.525
 1083   1HE   MLZ 215          1HE       MLZ 215 -13.815   4.232  -0.607
 1084   2HE   MLZ 215          2HE       MLZ 215 -12.405   3.181  -0.376
 1085    HZ   MLZ 215           HZ       MLZ 215 -10.993   4.877  -1.302
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -11.903   3.423  -2.914
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -11.978   5.050  -3.581
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -13.424   4.309  -2.904
 1089    H    SER 216           H        SER 216 -16.724   6.119   4.489
 1090    HA   SER 216           HA       SER 216 -17.538   5.631   6.651
 1091   1HB   SER 216          1HB       SER 216 -16.960   7.307   8.217
 1092   2HB   SER 216          2HB       SER 216 -15.300   7.409   7.630
 1093    HG   SER 216           HG       SER 216 -15.974   8.500   5.864
 1094    H    ALA 217           H        ALA 217 -16.452   5.145   9.049
 1095    HA   ALA 217           HA       ALA 217 -14.630   2.861   8.524
 1096   1HB   ALA 217          1HB       ALA 217 -13.784   5.420   9.424
 1097   2HB   ALA 217          2HB       ALA 217 -12.822   3.943   9.363
 1098   3HB   ALA 217          3HB       ALA 217 -13.713   4.355  10.828
 1099    HA   PRO 218           HA       PRO 218 -16.874   0.895  11.741
 1100   1HB   PRO 218          1HB       PRO 218 -14.837  -0.175  13.324
 1101   2HB   PRO 218          2HB       PRO 218 -15.463  -0.920  11.843
 1102   1HG   PRO 218          1HG       PRO 218 -13.005   0.692  12.268
 1103   2HG   PRO 218          2HG       PRO 218 -13.284  -0.678  11.185
 1104   1HD   PRO 218          1HD       PRO 218 -13.179   1.891  10.323
 1105   2HD   PRO 218          2HD       PRO 218 -14.170   0.647   9.531
 1106    H    ALA 219           H        ALA 219 -16.768   0.685  14.352
 1107    HA   ALA 219           HA       ALA 219 -16.997   1.903  16.364
 1108   1HB   ALA 219          1HB       ALA 219 -14.497   1.680  16.000
 1109   2HB   ALA 219          2HB       ALA 219 -14.956   3.087  16.959
 1110   3HB   ALA 219          3HB       ALA 219 -14.524   3.281  15.261
 1111    H    THR 220           H        THR 220 -18.953   2.976  15.376
 1112    HA   THR 220           HA       THR 220 -18.535   5.920  15.251
 1113    HB   THR 220           HB       THR 220 -20.173   5.751  13.192
 1114    HG1  THR 220           HG1      THR 220 -20.017   3.830  12.108
 1115   1HG2  THR 220          1HG2      THR 220 -17.351   4.764  12.755
 1116   2HG2  THR 220          2HG2      THR 220 -17.685   6.417  13.274
 1117   3HG2  THR 220          3HG2      THR 220 -18.304   5.835  11.728
 1118    H    GLY 221           H        GLY 221 -19.621   4.961  17.459
 1119   1HA   GLY 221          1HA       GLY 221 -21.537   5.106  18.808
 1120   2HA   GLY 221          2HA       GLY 221 -22.319   5.947  17.469
 1121   1H    MET   1          1H        MET   1  -1.233 -11.040   5.242
 1122   2H    MET   1          2H        MET   1  -1.454 -10.294   6.752
 1123   3H    MET   1          3H        MET   1  -1.006 -11.931   6.671
 1124    HA   MET   1           HA       MET   1   0.713  -9.781   5.564
 1125   1HB   MET   1          1HB       MET   1   0.013 -10.549   8.321
 1126   2HB   MET   1          2HB       MET   1   1.749 -10.565   8.016
 1127   1HG   MET   1          1HG       MET   1   0.073  -8.235   7.107
 1128   2HG   MET   1          2HG       MET   1   0.620  -8.333   8.780
 1129   1HE   MET   1          1HE       MET   1   2.680  -6.800   9.310
 1130   2HE   MET   1          2HE       MET   1   1.492  -6.065   8.235
 1131   3HE   MET   1          3HE       MET   1   3.214  -5.856   7.920
 1132    H    PHE   2           H        PHE   2   1.339 -12.532   7.715
 1133    HA   PHE   2           HA       PHE   2   3.597 -13.523   6.395
 1134   1HB   PHE   2          1HB       PHE   2   2.878 -15.717   7.529
 1135   2HB   PHE   2          2HB       PHE   2   3.001 -14.308   8.580
 1136    HD1  PHE   2           HD1      PHE   2   1.150 -13.585   9.839
 1137    HD2  PHE   2           HD2      PHE   2   0.549 -16.273   6.543
 1138    HE1  PHE   2           HE1      PHE   2  -1.231 -13.840  10.482
 1139    HE2  PHE   2           HE2      PHE   2  -1.833 -16.528   7.187
 1140    HZ   PHE   2           HZ       PHE   2  -2.721 -15.310   9.156
 1141    H    ASN   3           H        ASN   3   3.946 -14.904   4.662
 1142    HA   ASN   3           HA       ASN   3   1.588 -16.139   3.317
 1143   1HB   ASN   3          1HB       ASN   3   2.301 -13.760   2.489
 1144   2HB   ASN   3          2HB       ASN   3   3.680 -14.597   1.775
 1145   1HD2  ASN   3          1HD2      ASN   3   2.918 -14.268  -0.432
 1146   2HD2  ASN   3          2HD2      ASN   3   1.560 -15.088  -1.035
 1147    H    ASP   4           H        ASP   4   2.117 -18.073   2.264
 1148    HA   ASP   4           HA       ASP   4   4.259 -19.658   3.048
 1149   1HB   ASP   4          1HB       ASP   4   3.707 -20.961   0.994
 1150   2HB   ASP   4          2HB       ASP   4   2.252 -20.406   1.822
 1151    H    ARG   5           H        ARG   5   4.212 -17.282   0.417
 1152    HA   ARG   5           HA       ARG   5   6.815 -18.060  -0.649
 1153   1HB   ARG   5          1HB       ARG   5   4.789 -15.867  -1.005
 1154   2HB   ARG   5          2HB       ARG   5   6.400 -15.647  -1.687
 1155   1HG   ARG   5          1HG       ARG   5   4.596 -18.030  -2.211
 1156   2HG   ARG   5          2HG       ARG   5   4.838 -16.681  -3.320
 1157   1HD   ARG   5          1HD       ARG   5   7.432 -17.560  -2.603
 1158   2HD   ARG   5          2HD       ARG   5   6.493 -19.022  -2.957
 1159    HE   ARG   5           HE       ARG   5   7.239 -16.986  -4.886
 1160   1HH1  ARG   5          1HH1      ARG   5   4.730 -19.218  -3.970
 1161   2HH1  ARG   5          2HH1      ARG   5   4.108 -19.350  -5.579
 1162   1HH2  ARG   5          1HH2      ARG   5   6.414 -17.174  -6.965
 1163   2HH2  ARG   5          2HH2      ARG   5   5.053 -18.203  -7.263
 1164    H    VAL   6           H        VAL   6   5.612 -15.409   1.425
 1165    HA   VAL   6           HA       VAL   6   8.295 -15.167   2.648
 1166    HB   VAL   6           HB       VAL   6   8.338 -12.718   2.077
 1167   1HG1  VAL   6          1HG1      VAL   6   9.412 -14.580   0.660
 1168   2HG1  VAL   6          2HG1      VAL   6   9.164 -13.022  -0.129
 1169   3HG1  VAL   6          3HG1      VAL   6   8.056 -14.357  -0.445
 1170   1HG2  VAL   6          1HG2      VAL   6   6.057 -13.419   0.208
 1171   2HG2  VAL   6          2HG2      VAL   6   6.781 -11.830   0.454
 1172   3HG2  VAL   6          3HG2      VAL   6   5.839 -12.579   1.743
 1173    H    ILE   7           H        ILE   7   8.176 -14.182   4.720
 1174    HA   ILE   7           HA       ILE   7   5.397 -13.576   5.670
 1175    HB   ILE   7           HB       ILE   7   6.487 -15.610   6.593
 1176   1HG1  ILE   7          1HG1      ILE   7   6.368 -13.356   8.619
 1177   2HG1  ILE   7          2HG1      ILE   7   4.966 -14.238   8.015
 1178   1HG2  ILE   7          1HG2      ILE   7   8.617 -13.608   7.375
 1179   2HG2  ILE   7          2HG2      ILE   7   8.810 -15.056   6.387
 1180   3HG2  ILE   7          3HG2      ILE   7   8.486 -15.203   8.114
 1181   1HD1  ILE   7          1HD1      ILE   7   5.331 -15.673   9.730
 1182   2HD1  ILE   7          2HD1      ILE   7   6.952 -15.041  10.017
 1183   3HD1  ILE   7          3HD1      ILE   7   6.691 -16.267   8.777
 1184    H    VAL   8           H        VAL   8   5.367 -11.948   7.513
 1185    HA   VAL   8           HA       VAL   8   7.113  -9.675   6.808
 1186    HB   VAL   8           HB       VAL   8   4.685  -9.387   7.091
 1187   1HG1  VAL   8          1HG1      VAL   8   5.084 -11.160   9.263
 1188   2HG1  VAL   8          2HG1      VAL   8   3.562 -10.443   8.734
 1189   3HG1  VAL   8          3HG1      VAL   8   4.536  -9.637   9.963
 1190   1HG2  VAL   8          1HG2      VAL   8   5.172  -7.893   9.434
 1191   2HG2  VAL   8          2HG2      VAL   8   5.288  -7.320   7.770
 1192   3HG2  VAL   8          3HG2      VAL   8   6.718  -7.955   8.585
 1193    H    LYS   9           H        LYS   9   8.959  -9.293   7.890
 1194    HA   LYS   9           HA       LYS   9   9.074  -9.722  10.804
 1195   1HB   LYS   9          1HB       LYS   9  10.394 -11.340   8.744
 1196   2HB   LYS   9          2HB       LYS   9  11.462 -10.807  10.041
 1197   1HG   LYS   9          1HG       LYS   9   9.997 -11.768  11.715
 1198   2HG   LYS   9          2HG       LYS   9   8.770 -12.121  10.501
 1199   1HD   LYS   9          1HD       LYS   9  10.374 -13.643   9.366
 1200   2HD   LYS   9          2HD       LYS   9  11.538 -13.344  10.658
 1201   1HE   LYS   9          1HE       LYS   9   9.732 -14.133  12.286
 1202   2HE   LYS   9          2HE       LYS   9   8.837 -14.703  10.865
 1203   1HZ   LYS   9          1HZ       LYS   9  10.442 -16.347  11.896
 1204   2HZ   LYS   9          2HZ       LYS   9  11.696 -15.352  11.328
 1205   3HZ   LYS   9          3HZ       LYS   9  10.626 -16.080  10.229
 1206    H    LYS  10           H        LYS  10  11.228  -6.840  10.688
 1207    HA   LYS  10           HA       LYS  10  10.461  -7.174  12.857
 1208   1HB   LYS  10          1HB       LYS  10   8.258  -8.095  11.044
 1209   2HB   LYS  10          2HB       LYS  10   8.079  -8.326  12.782
 1210   1HG   LYS  10          1HG       LYS  10   7.784  -6.107  13.135
 1211   2HG   LYS  10          2HG       LYS  10   9.101  -5.676  12.044
 1212   1HD   LYS  10          1HD       LYS  10   7.610  -5.125  10.451
 1213   2HD   LYS  10          2HD       LYS  10   6.969  -6.768  10.476
 1214   1HE   LYS  10          1HE       LYS  10   5.208  -6.199  11.849
 1215   2HE   LYS  10          2HE       LYS  10   6.152  -4.970  12.711
 1216   1HZ   LYS  10          1HZ       LYS  10   4.429  -4.093  11.109
 1217   2HZ   LYS  10          2HZ       LYS  10   5.389  -4.713   9.853
 1218   3HZ   LYS  10          3HZ       LYS  10   6.005  -3.506  10.875
 1219    H    SER  11           H        SER  11  12.328  -9.020  11.880
 1220    HA   SER  11           HA       SER  11  11.883 -11.754  12.118
 1221   1HB   SER  11          1HB       SER  11  14.055 -11.191  11.569
 1222   2HB   SER  11          2HB       SER  11  14.074  -9.806  12.658
 1223    HG   SER  11           HG       SER  11  15.349 -11.833  13.175
 1224    HA   PRO  12           HA       PRO  12  10.754 -12.829  16.216
 1225   1HB   PRO  12          1HB       PRO  12  13.248 -14.437  16.512
 1226   2HB   PRO  12          2HB       PRO  12  11.558 -14.949  16.663
 1227   1HG   PRO  12          1HG       PRO  12  13.069 -15.582  14.535
 1228   2HG   PRO  12          2HG       PRO  12  11.328 -15.298  14.412
 1229   1HD   PRO  12          1HD       PRO  12  13.586 -13.581  13.559
 1230   2HD   PRO  12          2HD       PRO  12  11.952 -13.724  12.881
 1231    H    LEU  13           H        LEU  13  13.948 -11.585  15.569
 1232    HA   LEU  13           HA       LEU  13  14.446 -10.927  18.417
 1233   1HB   LEU  13          1HB       LEU  13  15.940 -11.380  15.994
 1234   2HB   LEU  13          2HB       LEU  13  16.352  -9.785  16.625
 1235    HG   LEU  13           HG       LEU  13  17.817 -11.526  17.590
 1236   1HD1  LEU  13          1HD1      LEU  13  17.839 -10.390  19.544
 1237   2HD1  LEU  13          2HD1      LEU  13  16.234 -10.976  19.980
 1238   3HD1  LEU  13          3HD1      LEU  13  16.403  -9.550  18.957
 1239   1HD2  LEU  13          1HD2      LEU  13  15.912 -13.279  17.417
 1240   2HD2  LEU  13          2HD2      LEU  13  15.382 -12.645  18.974
 1241   3HD2  LEU  13          3HD2      LEU  13  16.984 -13.365  18.815
 1242    H    GLY  14           H        GLY  14  14.037  -9.212  15.295
 1243   1HA   GLY  14          1HA       GLY  14  12.389  -7.161  16.061
 1244   2HA   GLY  14          2HA       GLY  14  13.963  -6.607  16.629
 1245    H    GLY  15           H        GLY  15  12.793  -5.059  14.738
 1246   1HA   GLY  15          1HA       GLY  15  14.119  -4.109  12.835
 1247   2HA   GLY  15          2HA       GLY  15  14.293  -5.762  12.245
 1248    H    TYR  16           H        TYR  16  13.296  -4.288  10.351
 1249    HA   TYR  16           HA       TYR  16  10.438  -5.063  10.213
 1250   1HB   TYR  16          1HB       TYR  16  11.554  -2.258  10.248
 1251   2HB   TYR  16          2HB       TYR  16  10.066  -2.601   9.368
 1252    HD1  TYR  16           HD1      TYR  16   8.025  -3.226  10.521
 1253    HD2  TYR  16           HD2      TYR  16  11.655  -2.489  12.695
 1254    HE1  TYR  16           HE1      TYR  16   6.737  -3.131  12.637
 1255    HE2  TYR  16           HE2      TYR  16  10.366  -2.393  14.813
 1256    HH   TYR  16           HH       TYR  16   8.132  -3.340  15.648
 1257    H    GLY  17           H        GLY  17  11.147  -6.456   8.476
 1258   1HA   GLY  17          1HA       GLY  17  11.509  -5.036   5.911
 1259   2HA   GLY  17          2HA       GLY  17  12.804  -6.141   6.370
 1260    H    VAL  18           H        VAL  18  11.978  -7.197   4.264
 1261    HA   VAL  18           HA       VAL  18   9.513  -8.819   4.726
 1262    HB   VAL  18           HB       VAL  18  11.239  -8.238   2.291
 1263   1HG1  VAL  18          1HG1      VAL  18  10.098 -10.524   2.345
 1264   2HG1  VAL  18          2HG1      VAL  18   9.667  -9.485   0.986
 1265   3HG1  VAL  18          3HG1      VAL  18   8.565  -9.652   2.353
 1266   1HG2  VAL  18          1HG2      VAL  18   9.882  -6.338   3.071
 1267   2HG2  VAL  18          2HG2      VAL  18   8.444  -7.359   3.080
 1268   3HG2  VAL  18          3HG2      VAL  18   9.240  -6.971   1.555
 1269    H    PHE  19           H        PHE  19   9.815 -10.897   5.438
 1270    HA   PHE  19           HA       PHE  19  12.530 -12.037   5.475
 1271   1HB   PHE  19          1HB       PHE  19  10.150 -12.152   7.001
 1272   2HB   PHE  19          2HB       PHE  19  10.393 -13.779   6.368
 1273    HD1  PHE  19           HD1      PHE  19  12.431 -10.987   7.851
 1274    HD2  PHE  19           HD2      PHE  19  11.723 -15.218   7.618
 1275    HE1  PHE  19           HE1      PHE  19  14.204 -11.378   9.541
 1276    HE2  PHE  19           HE2      PHE  19  13.497 -15.608   9.307
 1277    HZ   PHE  19           HZ       PHE  19  14.736 -13.688  10.270
 1278    H    ALA  20           H        ALA  20  13.270 -13.491   4.007
 1279    HA   ALA  20           HA       ALA  20  11.388 -14.575   1.976
 1280   1HB   ALA  20          1HB       ALA  20  14.075 -13.587   2.073
 1281   2HB   ALA  20          2HB       ALA  20  13.173 -14.119   0.654
 1282   3HB   ALA  20          3HB       ALA  20  14.144 -15.275   1.566
 1283    H    ARG  21           H        ARG  21  10.442 -16.220   3.418
 1284    HA   ARG  21           HA       ARG  21  11.886 -18.165   4.901
 1285   1HB   ARG  21          1HB       ARG  21   9.218 -17.645   3.923
 1286   2HB   ARG  21          2HB       ARG  21   9.591 -19.353   3.694
 1287   1HG   ARG  21          1HG       ARG  21   9.898 -19.729   5.977
 1288   2HG   ARG  21          2HG       ARG  21  10.265 -18.036   6.308
 1289   1HD   ARG  21          1HD       ARG  21   8.018 -18.566   7.160
 1290   2HD   ARG  21          2HD       ARG  21   7.866 -17.476   5.769
 1291    HE   ARG  21           HE       ARG  21   7.864 -20.024   4.651
 1292   1HH1  ARG  21          1HH1      ARG  21   5.997 -18.377   7.084
 1293   2HH1  ARG  21          2HH1      ARG  21   4.565 -19.292   6.761
 1294   1HH2  ARG  21          1HH2      ARG  21   5.992 -21.199   4.250
 1295   2HH2  ARG  21          2HH2      ARG  21   4.560 -20.878   5.170
 1296    H    LYS  22           H        LYS  22  11.380 -17.786   1.472
 1297    HA   LYS  22           HA       LYS  22  12.254 -20.517   0.789
 1298   1HB   LYS  22          1HB       LYS  22  11.887 -18.063  -0.976
 1299   2HB   LYS  22          2HB       LYS  22  11.795 -19.750  -1.468
 1300   1HG   LYS  22          1HG       LYS  22   9.894 -19.725   0.465
 1301   2HG   LYS  22          2HG       LYS  22   9.755 -18.075  -0.140
 1302   1HD   LYS  22          1HD       LYS  22   8.369 -19.104  -1.660
 1303   2HD   LYS  22          2HD       LYS  22   9.901 -19.368  -2.492
 1304   1HE   LYS  22          1HE       LYS  22   8.845 -21.518  -2.436
 1305   2HE   LYS  22          2HE       LYS  22  10.041 -21.571  -1.127
 1306   1HZ   LYS  22          1HZ       LYS  22   8.371 -20.960   0.449
 1307   2HZ   LYS  22          2HZ       LYS  22   7.759 -22.268  -0.445
 1308   3HZ   LYS  22          3HZ       LYS  22   7.223 -20.690  -0.772
 1309    H    SER  23           H        SER  23  15.555 -19.500  -0.567
 1310    HA   SER  23           HA       SER  23  13.097 -21.123  -1.042
 1311   1HB   SER  23          1HB       SER  23  15.098 -22.400  -0.676
 1312   2HB   SER  23          2HB       SER  23  14.828 -22.441  -2.418
 1313    HG   SER  23           HG       SER  23  17.011 -21.800  -1.423
 1314    H    PHE  24           H        PHE  24  14.895 -18.476  -2.329
 1315    HA   PHE  24           HA       PHE  24  13.259 -18.602  -4.829
 1316   1HB   PHE  24          1HB       PHE  24  14.489 -16.409  -3.143
 1317   2HB   PHE  24          2HB       PHE  24  13.875 -16.083  -4.760
 1318    HD1  PHE  24           HD1      PHE  24  12.983 -15.482  -1.619
 1319    HD2  PHE  24           HD2      PHE  24  11.490 -17.755  -4.945
 1320    HE1  PHE  24           HE1      PHE  24  10.687 -15.314  -0.701
 1321    HE2  PHE  24           HE2      PHE  24   9.191 -17.586  -4.025
 1322    HZ   PHE  24           HZ       PHE  24   8.792 -16.365  -1.903
 1323    H    GLU  25           H        GLU  25  14.313 -18.427  -6.833
 1324    HA   GLU  25           HA       GLU  25  17.239 -18.860  -6.816
 1325   1HB   GLU  25          1HB       GLU  25  14.911 -19.279  -8.590
 1326   2HB   GLU  25          2HB       GLU  25  16.386 -18.812  -9.435
 1327   1HG   GLU  25          1HG       GLU  25  17.607 -20.657  -8.487
 1328   2HG   GLU  25          2HG       GLU  25  16.286 -21.035  -7.381
 1329    H    LYS  26           H        LYS  26  18.483 -17.606  -8.587
 1330    HA   LYS  26           HA       LYS  26  18.326 -14.783  -8.048
 1331   1HB   LYS  26          1HB       LYS  26  20.392 -15.970  -8.618
 1332   2HB   LYS  26          2HB       LYS  26  19.733 -16.426 -10.185
 1333   1HG   LYS  26          1HG       LYS  26  19.590 -14.053 -10.825
 1334   2HG   LYS  26          2HG       LYS  26  20.233 -13.583  -9.252
 1335   1HD   LYS  26          1HD       LYS  26  22.088 -15.419 -10.098
 1336   2HD   LYS  26          2HD       LYS  26  21.628 -14.649 -11.616
 1337   1HE   LYS  26          1HE       LYS  26  21.917 -12.411 -10.308
 1338   2HE   LYS  26          2HE       LYS  26  22.850 -13.391  -9.161
 1339   1HZ   LYS  26          1HZ       LYS  26  24.233 -12.500 -10.983
 1340   2HZ   LYS  26          2HZ       LYS  26  23.278 -13.343 -12.106
 1341   3HZ   LYS  26          3HZ       LYS  26  24.205 -14.198 -10.970
 1342    H    GLY  27           H        GLY  27  16.378 -13.839  -8.708
 1343   1HA   GLY  27          1HA       GLY  27  15.540 -12.559 -10.703
 1344   2HA   GLY  27          2HA       GLY  27  15.740 -14.049 -11.625
 1345    H    GLU  28           H        GLU  28  14.739 -15.533  -9.112
 1346    HA   GLU  28           HA       GLU  28  12.084 -16.006  -9.883
 1347   1HB   GLU  28          1HB       GLU  28  13.844 -16.962  -8.041
 1348   2HB   GLU  28          2HB       GLU  28  12.733 -16.098  -6.978
 1349   1HG   GLU  28          1HG       GLU  28  11.942 -18.185  -9.035
 1350   2HG   GLU  28          2HG       GLU  28  12.015 -18.441  -7.291
 1351    H    LEU  29           H        LEU  29  10.311 -14.699  -9.827
 1352    HA   LEU  29           HA       LEU  29  10.299 -12.087  -8.631
 1353   1HB   LEU  29          1HB       LEU  29   8.944 -13.154 -10.586
 1354   2HB   LEU  29          2HB       LEU  29   7.870 -13.756  -9.325
 1355    HG   LEU  29           HG       LEU  29   7.094 -11.588 -10.268
 1356   1HD1  LEU  29          1HD1      LEU  29   8.023 -10.984  -7.482
 1357   2HD1  LEU  29          2HD1      LEU  29   6.936 -12.348  -7.744
 1358   3HD1  LEU  29          3HD1      LEU  29   6.439 -10.721  -8.212
 1359   1HD2  LEU  29          1HD2      LEU  29   9.815 -10.946 -10.169
 1360   2HD2  LEU  29          2HD2      LEU  29   9.078  -9.943  -8.921
 1361   3HD2  LEU  29          3HD2      LEU  29   8.496  -9.852 -10.583
 1362    H    VAL  30           H        VAL  30  10.305 -11.795  -6.431
 1363    HA   VAL  30           HA       VAL  30   9.360 -13.787  -4.550
 1364    HB   VAL  30           HB       VAL  30  10.058 -10.835  -4.318
 1365   1HG1  VAL  30          1HG1      VAL  30  10.574 -11.966  -1.876
 1366   2HG1  VAL  30          2HG1      VAL  30   9.116 -12.833  -2.358
 1367   3HG1  VAL  30          3HG1      VAL  30   9.104 -11.072  -2.263
 1368   1HG2  VAL  30          1HG2      VAL  30  12.064 -12.288  -3.136
 1369   2HG2  VAL  30          2HG2      VAL  30  12.113 -11.684  -4.792
 1370   3HG2  VAL  30          3HG2      VAL  30  11.603 -13.342  -4.473
 1371    H    GLU  31           H        GLU  31   8.130 -10.531  -5.427
 1372    HA   GLU  31           HA       GLU  31   5.364 -11.369  -5.395
 1373   1HB   GLU  31          1HB       GLU  31   6.058 -11.507  -2.966
 1374   2HB   GLU  31          2HB       GLU  31   6.367  -9.771  -3.011
 1375   1HG   GLU  31          1HG       GLU  31   3.880  -9.770  -4.029
 1376   2HG   GLU  31          2HG       GLU  31   3.773 -11.240  -3.060
 1377    H    GLU  32           H        GLU  32   4.052  -9.711  -6.234
 1378    HA   GLU  32           HA       GLU  32   5.392  -7.062  -6.670
 1379   1HB   GLU  32          1HB       GLU  32   4.199  -7.108  -8.880
 1380   2HB   GLU  32          2HB       GLU  32   5.344  -8.438  -8.698
 1381   1HG   GLU  32          1HG       GLU  32   3.579  -9.987  -8.169
 1382   2HG   GLU  32          2HG       GLU  32   2.398  -8.684  -8.035
 1383    H    CYS  33           H        CYS  33   3.886  -5.244  -6.850
 1384    HA   CYS  33           HA       CYS  33   1.090  -5.722  -5.966
 1385   1HB   CYS  33          1HB       CYS  33   1.467  -4.136  -4.060
 1386   2HB   CYS  33          2HB       CYS  33   2.448  -5.594  -3.919
 1387    HG   CYS  33           HG       CYS  33   3.529  -2.763  -4.583
 1388    H    LEU  34           H        LEU  34   0.239  -3.221  -5.503
 1389    HA   LEU  34           HA       LEU  34   0.755  -1.810  -8.082
 1390   1HB   LEU  34          1HB       LEU  34  -1.414  -1.432  -5.982
 1391   2HB   LEU  34          2HB       LEU  34  -1.422  -0.789  -7.623
 1392    HG   LEU  34           HG       LEU  34  -1.461  -3.729  -6.868
 1393   1HD1  LEU  34          1HD1      LEU  34  -3.701  -3.212  -8.359
 1394   2HD1  LEU  34          2HD1      LEU  34  -3.538  -1.712  -7.445
 1395   3HD1  LEU  34          3HD1      LEU  34  -3.670  -3.252  -6.596
 1396   1HD2  LEU  34          1HD2      LEU  34  -1.583  -2.360  -9.573
 1397   2HD2  LEU  34          2HD2      LEU  34  -1.765  -4.092  -9.295
 1398   3HD2  LEU  34          3HD2      LEU  34  -0.225  -3.302  -8.957
 1399    H    CYS  35           H        CYS  35   0.736   0.665  -7.894
 1400    HA   CYS  35           HA       CYS  35   1.754   1.653  -5.270
 1401   1HB   CYS  35          1HB       CYS  35   3.154   1.743  -7.963
 1402   2HB   CYS  35          2HB       CYS  35   3.657   2.719  -6.584
 1403    HG   CYS  35           HG       CYS  35   4.086   0.451  -5.266
 1404    H    ILE  36           H        ILE  36   1.794   4.057  -5.209
 1405    HA   ILE  36           HA       ILE  36  -0.412   5.198  -6.838
 1406    HB   ILE  36           HB       ILE  36   1.213   6.377  -4.555
 1407   1HG1  ILE  36          1HG1      ILE  36  -1.486   5.006  -4.401
 1408   2HG1  ILE  36          2HG1      ILE  36   0.033   4.199  -4.011
 1409   1HG2  ILE  36          1HG2      ILE  36  -1.588   7.166  -4.908
 1410   2HG2  ILE  36          2HG2      ILE  36  -0.574   7.585  -6.289
 1411   3HG2  ILE  36          3HG2      ILE  36  -0.158   8.173  -4.679
 1412   1HD1  ILE  36          1HD1      ILE  36  -0.587   6.835  -2.718
 1413   2HD1  ILE  36          2HD1      ILE  36   0.392   5.499  -2.113
 1414   3HD1  ILE  36          3HD1      ILE  36  -1.367   5.377  -2.105
 1415    H    VAL  37           H        VAL  37  -0.080   7.036  -8.185
 1416    HA   VAL  37           HA       VAL  37   2.796   7.670  -8.758
 1417    HB   VAL  37           HB       VAL  37   0.415   7.493 -10.644
 1418   1HG1  VAL  37          1HG1      VAL  37   3.378   7.684 -11.256
 1419   2HG1  VAL  37          2HG1      VAL  37   2.278   9.062 -11.294
 1420   3HG1  VAL  37          3HG1      VAL  37   2.050   7.721 -12.416
 1421   1HG2  VAL  37          1HG2      VAL  37   1.124   5.301  -9.675
 1422   2HG2  VAL  37          2HG2      VAL  37   2.755   5.595 -10.280
 1423   3HG2  VAL  37          3HG2      VAL  37   1.415   5.401 -11.412
 1424    H    ARG  38           H        ARG  38   2.718   9.587  -7.431
 1425    HA   ARG  38           HA       ARG  38   0.924  11.758  -8.471
 1426   1HB   ARG  38          1HB       ARG  38   2.201  11.344  -5.744
 1427   2HB   ARG  38          2HB       ARG  38   1.116  12.665  -6.170
 1428   1HG   ARG  38          1HG       ARG  38   0.338   9.751  -6.419
 1429   2HG   ARG  38          2HG       ARG  38   0.025  10.704  -4.969
 1430   1HD   ARG  38          1HD       ARG  38  -1.215  12.366  -6.400
 1431   2HD   ARG  38          2HD       ARG  38  -1.027  11.252  -7.767
 1432    HE   ARG  38           HE       ARG  38  -2.067   9.909  -5.409
 1433   1HH1  ARG  38          1HH1      ARG  38  -2.912  11.926  -8.118
 1434   2HH1  ARG  38          2HH1      ARG  38  -4.555  11.389  -8.147
 1435   1HH2  ARG  38          1HH2      ARG  38  -4.204   9.227  -5.466
 1436   2HH2  ARG  38          2HH2      ARG  38  -5.284   9.872  -6.657
 1437    H    HIS  39           H        HIS  39   1.946  13.983  -8.184
 1438    HA   HIS  39           HA       HIS  39   4.711  13.940  -9.212
 1439   1HB   HIS  39          1HB       HIS  39   2.372  15.529  -9.446
 1440   2HB   HIS  39          2HB       HIS  39   3.581  16.555  -8.674
 1441    HD1  HIS  39           HD1      HIS  39   4.359  17.964 -10.622
 1442    HD2  HIS  39           HD2      HIS  39   4.361  13.894 -11.522
 1443    HE1  HIS  39           HE1      HIS  39   5.475  17.731 -12.884
 1444    H    ASN  40           H        ASN  40   5.995  16.026  -8.215
 1445    HA   ASN  40           HA       ASN  40   6.658  15.285  -5.492
 1446   1HB   ASN  40          1HB       ASN  40   7.398  17.699  -7.189
 1447   2HB   ASN  40          2HB       ASN  40   8.275  17.134  -5.767
 1448   1HD2  ASN  40          1HD2      ASN  40   8.454  14.407  -6.129
 1449   2HD2  ASN  40          2HD2      ASN  40   9.257  14.041  -7.579
 1450    H    ASP  41           H        ASP  41   7.029  18.341  -4.891
 1451    HA   ASP  41           HA       ASP  41   5.846  20.038  -3.766
 1452   1HB   ASP  41          1HB       ASP  41   4.340  19.358  -5.938
 1453   2HB   ASP  41          2HB       ASP  41   3.204  18.993  -4.639
 1454    H    ASP  42           H        ASP  42   3.074  19.611  -2.717
 1455    HA   ASP  42           HA       ASP  42   3.546  18.790  -0.116
 1456   1HB   ASP  42          1HB       ASP  42   1.066  18.332  -1.817
 1457   2HB   ASP  42          2HB       ASP  42   1.093  18.407  -0.055
 1458    H    TRP  43           H        TRP  43   2.843  16.694  -2.893
 1459    HA   TRP  43           HA       TRP  43   2.328  14.242  -1.608
 1460   1HB   TRP  43          1HB       TRP  43   2.158  14.561  -4.007
 1461   2HB   TRP  43          2HB       TRP  43   3.865  14.984  -4.122
 1462    HD1  TRP  43           HD1      TRP  43   5.387  13.095  -4.839
 1463    HE1  TRP  43           HE1      TRP  43   5.290  10.520  -4.808
 1464    HE3  TRP  43           HE3      TRP  43   0.937  12.407  -2.425
 1465    HZ2  TRP  43           HZ2      TRP  43   3.556   8.443  -3.883
 1466    HZ3  TRP  43           HZ3      TRP  43   0.091  10.117  -1.987
 1467    HH2  TRP  43           HH2      TRP  43   1.393   8.140  -2.709
 1468    H    GLY  44           H        GLY  44   5.536  15.404  -2.730
 1469   1HA   GLY  44          1HA       GLY  44   7.036  13.331  -1.488
 1470   2HA   GLY  44          2HA       GLY  44   7.689  14.902  -1.949
 1471    H    THR  45           H        THR  45   5.779  16.371  -0.229
 1472    HA   THR  45           HA       THR  45   7.350  16.425   2.188
 1473    HB   THR  45           HB       THR  45   4.549  17.510   1.799
 1474    HG1  THR  45           HG1      THR  45   5.550  19.251   0.740
 1475   1HG2  THR  45          1HG2      THR  45   6.975  18.210   3.430
 1476   2HG2  THR  45          2HG2      THR  45   5.293  18.072   3.944
 1477   3HG2  THR  45          3HG2      THR  45   5.817  19.470   3.004
 1478    H    ALA  46           H        ALA  46   3.846  15.699   1.875
 1479    HA   ALA  46           HA       ALA  46   3.585  14.496   4.451
 1480   1HB   ALA  46          1HB       ALA  46   1.627  15.205   3.313
 1481   2HB   ALA  46          2HB       ALA  46   1.536  13.447   3.210
 1482   3HB   ALA  46          3HB       ALA  46   2.092  14.385   1.823
 1483    H    LEU  47           H        LEU  47   3.945  12.953   1.233
 1484    HA   LEU  47           HA       LEU  47   4.409  10.335   2.531
 1485   1HB   LEU  47          1HB       LEU  47   4.075  11.353  -0.310
 1486   2HB   LEU  47          2HB       LEU  47   4.473   9.673   0.034
 1487    HG   LEU  47           HG       LEU  47   2.074   9.831  -0.230
 1488   1HD1  LEU  47          1HD1      LEU  47   1.954   9.774   2.685
 1489   2HD1  LEU  47          2HD1      LEU  47   3.309   8.836   2.058
 1490   3HD1  LEU  47          3HD1      LEU  47   1.668   8.477   1.526
 1491   1HD2  LEU  47          1HD2      LEU  47   1.963  11.828   2.029
 1492   2HD2  LEU  47          2HD2      LEU  47   0.698  11.405   0.877
 1493   3HD2  LEU  47          3HD2      LEU  47   2.094  12.343   0.348
 1494    H    GLU  48           H        GLU  48   6.451  12.465   2.837
 1495    HA   GLU  48           HA       GLU  48   8.640  12.239   1.083
 1496   1HB   GLU  48          1HB       GLU  48   7.998  13.495   3.446
 1497   2HB   GLU  48          2HB       GLU  48   9.282  12.399   3.955
 1498   1HG   GLU  48          1HG       GLU  48   9.709  13.906   1.421
 1499   2HG   GLU  48          2HG       GLU  48   9.799  14.827   2.922
 1500    H    ASP  49           H        ASP  49   7.414   9.848   3.294
 1501    HA   ASP  49           HA       ASP  49   9.980   8.318   3.122
 1502   1HB   ASP  49          1HB       ASP  49   7.651   8.494   5.011
 1503   2HB   ASP  49          2HB       ASP  49   8.576   6.994   4.957
 1504    H    TYR  50           H        TYR  50   9.856   6.035   2.608
 1505    HA   TYR  50           HA       TYR  50   9.120   4.205   1.313
 1506   1HB   TYR  50          1HB       TYR  50   6.406   5.265   2.183
 1507   2HB   TYR  50          2HB       TYR  50   6.795   3.604   1.753
 1508    HD1  TYR  50           HD1      TYR  50   5.495   4.277   4.326
 1509    HD2  TYR  50           HD2      TYR  50   9.667   4.082   3.306
 1510    HE1  TYR  50           HE1      TYR  50   6.055   3.792   6.692
 1511    HE2  TYR  50           HE2      TYR  50  10.221   3.599   5.672
 1512    HH   TYR  50           HH       TYR  50   8.625   2.444   7.729
 1513    H    LEU  51           H        LEU  51   9.251   6.997   0.071
 1514    HA   LEU  51           HA       LEU  51   7.226   6.635  -2.099
 1515   1HB   LEU  51          1HB       LEU  51   7.680   8.760  -0.550
 1516   2HB   LEU  51          2HB       LEU  51   8.944   9.073  -1.738
 1517    HG   LEU  51           HG       LEU  51   7.274   8.961  -3.551
 1518   1HD1  LEU  51          1HD1      LEU  51   5.303   7.934  -3.207
 1519   2HD1  LEU  51          2HD1      LEU  51   4.866   9.166  -2.022
 1520   3HD1  LEU  51          3HD1      LEU  51   5.717   7.709  -1.508
 1521   1HD2  LEU  51          1HD2      LEU  51   5.753  10.915  -2.467
 1522   2HD2  LEU  51          2HD2      LEU  51   7.416  11.181  -2.990
 1523   3HD2  LEU  51          3HD2      LEU  51   7.065  10.879  -1.289
 1524    H    PHE  52           H        PHE  52   8.180   5.359  -3.671
 1525    HA   PHE  52           HA       PHE  52  11.025   5.736  -4.396
 1526   1HB   PHE  52          1HB       PHE  52   8.768   3.917  -5.305
 1527   2HB   PHE  52          2HB       PHE  52  10.388   3.854  -5.999
 1528    HD1  PHE  52           HD1      PHE  52  12.068   2.580  -4.964
 1529    HD2  PHE  52           HD2      PHE  52   8.577   3.700  -2.727
 1530    HE1  PHE  52           HE1      PHE  52  12.820   1.156  -3.078
 1531    HE2  PHE  52           HE2      PHE  52   9.329   2.276  -0.841
 1532    HZ   PHE  52           HZ       PHE  52  11.450   1.004  -1.016
 1533    H    SER  53           H        SER  53  11.290   7.633  -5.583
 1534    HA   SER  53           HA       SER  53   9.283   8.242  -7.707
 1535   1HB   SER  53          1HB       SER  53   9.565  10.087  -6.273
 1536   2HB   SER  53          2HB       SER  53  11.288   9.776  -6.061
 1537    HG   SER  53           HG       SER  53  10.070  10.613  -8.479
 1538    H    ARG  54           H        ARG  54   9.963   8.590  -9.857
 1539    HA   ARG  54           HA       ARG  54  12.755   7.679 -10.474
 1540   1HB   ARG  54          1HB       ARG  54  11.710   6.920 -12.622
 1541   2HB   ARG  54          2HB       ARG  54  10.970   6.157 -11.215
 1542   1HG   ARG  54          1HG       ARG  54   9.020   7.422 -11.390
 1543   2HG   ARG  54          2HG       ARG  54   9.823   8.726 -12.264
 1544   1HD   ARG  54          1HD       ARG  54   9.411   5.955 -13.437
 1545   2HD   ARG  54          2HD       ARG  54   8.304   7.312 -13.716
 1546    HE   ARG  54           HE       ARG  54  10.866   8.323 -14.232
 1547   1HH1  ARG  54          1HH1      ARG  54   8.863   5.746 -15.442
 1548   2HH1  ARG  54          2HH1      ARG  54   9.552   5.806 -17.027
 1549   1HH2  ARG  54          1HH2      ARG  54  11.745   8.382 -16.296
 1550   2HH2  ARG  54          2HH2      ARG  54  11.172   7.286 -17.509
 1551    H    LYS  55           H        LYS  55  13.020   8.496 -13.040
 1552    HA   LYS  55           HA       LYS  55  13.294  11.383 -12.787
 1553   1HB   LYS  55          1HB       LYS  55  14.631   9.407 -14.056
 1554   2HB   LYS  55          2HB       LYS  55  13.623   9.962 -15.392
 1555   1HG   LYS  55          1HG       LYS  55  14.503  12.333 -14.279
 1556   2HG   LYS  55          2HG       LYS  55  15.907  11.281 -14.096
 1557   1HD   LYS  55          1HD       LYS  55  15.296  10.632 -16.608
 1558   2HD   LYS  55          2HD       LYS  55  14.558  12.234 -16.590
 1559   1HE   LYS  55          1HE       LYS  55  17.181  12.311 -15.338
 1560   2HE   LYS  55          2HE       LYS  55  17.283  11.668 -16.988
 1561   1HZ   LYS  55          1HZ       LYS  55  16.060  13.516 -17.816
 1562   2HZ   LYS  55          2HZ       LYS  55  17.292  14.156 -16.837
 1563   3HZ   LYS  55          3HZ       LYS  55  15.699  14.073 -16.253
 1564    H    ASN  56           H        ASN  56  10.916  11.762 -12.525
 1565    HA   ASN  56           HA       ASN  56   9.137  11.335 -14.794
 1566   1HB   ASN  56          1HB       ASN  56   9.853  14.200 -14.220
 1567   2HB   ASN  56          2HB       ASN  56  10.881  13.249 -15.290
 1568   1HD2  ASN  56          1HD2      ASN  56  10.229  14.421 -17.223
 1569   2HD2  ASN  56          2HD2      ASN  56   8.667  14.274 -17.872
 1570    H    MET  57           H        MET  57   9.253  11.069 -11.782
 1571    HA   MET  57           HA       MET  57   7.540  13.063 -10.589
 1572   1HB   MET  57          1HB       MET  57   5.429  11.781 -10.697
 1573   2HB   MET  57          2HB       MET  57   6.017  12.118 -12.323
 1574   1HG   MET  57          1HG       MET  57   7.264   9.719 -11.629
 1575   2HG   MET  57          2HG       MET  57   5.628   9.556 -10.993
 1576   1HE   MET  57          1HE       MET  57   4.416  11.823 -13.508
 1577   2HE   MET  57          2HE       MET  57   3.719  10.730 -12.311
 1578   3HE   MET  57          3HE       MET  57   3.430  10.457 -14.030
 1579    H    SER  58           H        SER  58   6.072  11.517  -8.822
 1580    HA   SER  58           HA       SER  58   8.102   9.748  -7.508
 1581   1HB   SER  58          1HB       SER  58   8.179  11.790  -6.307
 1582   2HB   SER  58          2HB       SER  58   6.442  12.048  -6.468
 1583    HG   SER  58           HG       SER  58   7.860  10.406  -4.719
 1584    H    ALA  59           H        ALA  59   7.236   7.864  -6.601
 1585    HA   ALA  59           HA       ALA  59   4.251   7.582  -6.629
 1586   1HB   ALA  59          1HB       ALA  59   5.350   6.576  -8.623
 1587   2HB   ALA  59          2HB       ALA  59   4.619   5.338  -7.602
 1588   3HB   ALA  59          3HB       ALA  59   6.362   5.600  -7.558
 1589    H    MET  60           H        MET  60   3.415   6.187  -4.995
 1590    HA   MET  60           HA       MET  60   5.241   5.732  -2.700
 1591   1HB   MET  60          1HB       MET  60   3.120   6.862  -2.307
 1592   2HB   MET  60          2HB       MET  60   2.237   5.584  -3.138
 1593   1HG   MET  60          1HG       MET  60   2.027   5.299  -0.713
 1594   2HG   MET  60          2HG       MET  60   2.962   3.970  -1.398
 1595   1HE   MET  60          1HE       MET  60   2.560   6.983   0.341
 1596   2HE   MET  60          2HE       MET  60   4.134   7.685   0.714
 1597   3HE   MET  60          3HE       MET  60   3.406   6.518   1.818
 1598    H    ALA  61           H        ALA  61   5.362   3.623  -1.678
 1599    HA   ALA  61           HA       ALA  61   5.184   1.379  -3.581
 1600   1HB   ALA  61          1HB       ALA  61   5.886   0.743  -0.824
 1601   2HB   ALA  61          2HB       ALA  61   6.770   2.162  -1.387
 1602   3HB   ALA  61          3HB       ALA  61   6.889   0.640  -2.271
 1603    H    LEU  62           H        LEU  62   2.896   1.069  -3.792
 1604    HA   LEU  62           HA       LEU  62   0.837   0.076  -3.211
 1605   1HB   LEU  62          1HB       LEU  62   0.783   1.029  -0.483
 1606   2HB   LEU  62          2HB       LEU  62   1.521   2.251  -1.516
 1607    HG   LEU  62           HG       LEU  62  -0.436   1.934  -3.103
 1608   1HD1  LEU  62          1HD1      LEU  62  -0.939  -0.266  -1.481
 1609   2HD1  LEU  62          2HD1      LEU  62  -2.057   0.418  -2.661
 1610   3HD1  LEU  62          3HD1      LEU  62  -2.154   0.905  -0.969
 1611   1HD2  LEU  62          1HD2      LEU  62  -0.178   3.740  -1.275
 1612   2HD2  LEU  62          2HD2      LEU  62  -1.342   2.789  -0.353
 1613   3HD2  LEU  62          3HD2      LEU  62  -1.798   3.467  -1.916
 1614    H    GLY  63           H        GLY  63   2.262  -2.012  -3.160
 1615   1HA   GLY  63          1HA       GLY  63   1.404  -3.637  -0.992
 1616   2HA   GLY  63          2HA       GLY  63   2.640  -4.099  -2.157
 1617    H    PHE  64           H        PHE  64   3.845  -5.094  -0.411
 1618    HA   PHE  64           HA       PHE  64   4.845  -3.358   1.757
 1619   1HB   PHE  64          1HB       PHE  64   5.062  -6.273   0.967
 1620   2HB   PHE  64          2HB       PHE  64   6.004  -5.615   2.305
 1621    HD1  PHE  64           HD1      PHE  64   2.494  -5.770   1.003
 1622    HD2  PHE  64           HD2      PHE  64   5.053  -5.499   4.442
 1623    HE1  PHE  64           HE1      PHE  64   0.519  -5.972   2.488
 1624    HE2  PHE  64           HE2      PHE  64   3.078  -5.701   5.928
 1625    HZ   PHE  64           HZ       PHE  64   0.810  -5.937   4.951
 1626    H    GLY  65           H        GLY  65   5.822  -2.234  -0.523
 1627   1HA   GLY  65          1HA       GLY  65   8.505  -3.384  -1.036
 1628   2HA   GLY  65          2HA       GLY  65   7.766  -2.060  -1.933
 1629    H    ALA  66           H        ALA  66   7.050  -1.002   0.969
 1630    HA   ALA  66           HA       ALA  66   9.475   0.678   1.111
 1631   1HB   ALA  66          1HB       ALA  66   7.292   1.727   1.095
 1632   2HB   ALA  66          2HB       ALA  66   7.964   1.942   2.712
 1633   3HB   ALA  66          3HB       ALA  66   6.739   0.707   2.424
 1634    H    ILE  67           H        ILE  67   8.764  -2.245   2.507
 1635    HA   ILE  67           HA       ILE  67   9.573  -1.560   5.265
 1636    HB   ILE  67           HB       ILE  67   9.125  -4.244   3.913
 1637   1HG1  ILE  67          1HG1      ILE  67   6.910  -3.733   5.441
 1638   2HG1  ILE  67          2HG1      ILE  67   7.300  -2.127   4.823
 1639   1HG2  ILE  67          1HG2      ILE  67  10.141  -3.611   6.438
 1640   2HG2  ILE  67          2HG2      ILE  67   9.469  -5.165   5.948
 1641   3HG2  ILE  67          3HG2      ILE  67   8.441  -3.970   6.735
 1642   1HD1  ILE  67          1HD1      ILE  67   7.431  -4.368   2.878
 1643   2HD1  ILE  67          2HD1      ILE  67   6.878  -2.709   2.647
 1644   3HD1  ILE  67          3HD1      ILE  67   5.823  -3.891   3.423
 1645    H    PHE  68           H        PHE  68  11.066  -2.655   2.329
 1646    HA   PHE  68           HA       PHE  68  13.237  -4.150   3.233
 1647   1HB   PHE  68          1HB       PHE  68  13.169  -1.985   1.099
 1648   2HB   PHE  68          2HB       PHE  68  14.322  -3.315   1.168
 1649    HD1  PHE  68           HD1      PHE  68  11.871  -2.407  -0.823
 1650    HD2  PHE  68           HD2      PHE  68  12.602  -5.576   1.982
 1651    HE1  PHE  68           HE1      PHE  68  10.276  -3.858  -2.047
 1652    HE2  PHE  68           HE2      PHE  68  11.009  -7.028   0.757
 1653    HZ   PHE  68           HZ       PHE  68   9.844  -6.169  -1.257
 1654    H    ASN  69           H        ASN  69  15.273  -3.647   4.117
 1655    HA   ASN  69           HA       ASN  69  15.609  -0.832   5.107
 1656   1HB   ASN  69          1HB       ASN  69  16.833  -3.420   6.134
 1657   2HB   ASN  69          2HB       ASN  69  16.841  -1.856   6.945
 1658   1HD2  ASN  69          1HD2      ASN  69  14.565  -4.381   5.767
 1659   2HD2  ASN  69          2HD2      ASN  69  13.403  -4.102   6.964
 1660    H    HIS  70           H        HIS  70  18.323  -1.147   5.838
 1661    HA   HIS  70           HA       HIS  70  19.636  -1.220   3.154
 1662   1HB   HIS  70          1HB       HIS  70  19.833   0.865   4.409
 1663   2HB   HIS  70          2HB       HIS  70  20.358  -0.006   5.849
 1664    HD1  HIS  70           HD1      HIS  70  21.534   0.016   2.206
 1665    HD2  HIS  70           HD2      HIS  70  23.091   0.238   6.067
 1666    HE1  HIS  70           HE1      HIS  70  24.049   0.185   1.957
 1667    H    SER  71           H        SER  71  21.211  -2.783   2.766
 1668    HA   SER  71           HA       SER  71  22.394  -4.263   5.048
 1669   1HB   SER  71          1HB       SER  71  21.008  -5.746   2.807
 1670   2HB   SER  71          2HB       SER  71  21.446  -6.343   4.408
 1671    HG   SER  71           HG       SER  71  19.310  -5.929   4.525
 1672    H    LYS  72           H        LYS  72  23.463  -2.491   2.941
 1673    HA   LYS  72           HA       LYS  72  25.303  -2.422   1.469
 1674   1HB   LYS  72          1HB       LYS  72  25.623  -4.802   3.215
 1675   2HB   LYS  72          2HB       LYS  72  26.594  -4.821   1.744
 1676   1HG   LYS  72          1HG       LYS  72  26.499  -2.522   3.721
 1677   2HG   LYS  72          2HG       LYS  72  27.778  -3.734   3.652
 1678   1HD   LYS  72          1HD       LYS  72  27.997  -3.057   1.158
 1679   2HD   LYS  72          2HD       LYS  72  27.075  -1.625   1.613
 1680   1HE   LYS  72          1HE       LYS  72  29.086  -0.729   2.213
 1681   2HE   LYS  72          2HE       LYS  72  29.016  -1.817   3.613
 1682   1HZ   LYS  72          1HZ       LYS  72  30.106  -2.497   0.926
 1683   2HZ   LYS  72          2HZ       LYS  72  30.017  -3.557   2.250
 1684   3HZ   LYS  72          3HZ       LYS  72  31.033  -2.197   2.317
 1685    H    ASP  73           H        ASP  73  24.852  -5.933   1.246
 1686    HA   ASP  73           HA       ASP  73  24.274  -5.613  -1.663
 1687   1HB   ASP  73          1HB       ASP  73  25.011  -8.035   0.024
 1688   2HB   ASP  73          2HB       ASP  73  24.961  -7.979  -1.738
 1689    HA   PRO  74           HA       PRO  74  20.082  -6.360   0.084
 1690   1HB   PRO  74          1HB       PRO  74  18.875  -5.608  -2.338
 1691   2HB   PRO  74          2HB       PRO  74  19.156  -4.534  -0.956
 1692   1HG   PRO  74          1HG       PRO  74  20.713  -4.851  -3.464
 1693   2HG   PRO  74          2HG       PRO  74  20.409  -3.400  -2.498
 1694   1HD   PRO  74          1HD       PRO  74  22.778  -4.691  -2.469
 1695   2HD   PRO  74          2HD       PRO  74  22.131  -3.856  -1.040
 1696    H    ASN  75           H        ASN  75  19.947  -8.595   0.103
 1697    HA   ASN  75           HA       ASN  75  20.570 -10.428  -1.913
 1698   1HB   ASN  75          1HB       ASN  75  18.347 -10.481   0.163
 1699   2HB   ASN  75          2HB       ASN  75  18.985 -11.904  -0.661
 1700   1HD2  ASN  75          1HD2      ASN  75  19.350 -10.012   2.127
 1701   2HD2  ASN  75          2HD2      ASN  75  20.909 -10.517   2.570
 1702    H    ALA  76           H        ALA  76  17.782  -8.318  -1.701
 1703    HA   ALA  76           HA       ALA  76  16.847  -9.384  -4.327
 1704   1HB   ALA  76          1HB       ALA  76  15.198 -10.438  -3.157
 1705   2HB   ALA  76          2HB       ALA  76  14.520  -8.828  -2.915
 1706   3HB   ALA  76          3HB       ALA  76  15.565  -9.539  -1.685
 1707    H    ARG  77           H        ARG  77  15.450  -7.821  -5.462
 1708    HA   ARG  77           HA       ARG  77  15.573  -5.033  -4.381
 1709   1HB   ARG  77          1HB       ARG  77  17.387  -5.896  -6.130
 1710   2HB   ARG  77          2HB       ARG  77  16.088  -5.605  -7.286
 1711   1HG   ARG  77          1HG       ARG  77  16.191  -3.373  -5.505
 1712   2HG   ARG  77          2HG       ARG  77  17.831  -3.692  -6.068
 1713   1HD   ARG  77          1HD       ARG  77  17.280  -3.297  -8.306
 1714   2HD   ARG  77          2HD       ARG  77  15.568  -3.691  -8.056
 1715    HE   ARG  77           HE       ARG  77  15.943  -1.516  -6.409
 1716   1HH1  ARG  77          1HH1      ARG  77  16.664  -2.147  -9.755
 1717   2HH1  ARG  77          2HH1      ARG  77  16.487  -0.491 -10.220
 1718   1HH2  ARG  77          1HH2      ARG  77  15.718   0.628  -7.037
 1719   2HH2  ARG  77          2HH2      ARG  77  15.956   1.070  -8.695
 1720    H    HIS  78           H        HIS  78  14.296  -3.646  -6.278
 1721    HA   HIS  78           HA       HIS  78  11.718  -5.124  -6.696
 1722   1HB   HIS  78          1HB       HIS  78  10.678  -2.892  -6.323
 1723   2HB   HIS  78          2HB       HIS  78  11.670  -3.376  -4.948
 1724    HD1  HIS  78           HD1      HIS  78  13.374  -1.706  -4.218
 1725    HD2  HIS  78           HD2      HIS  78  12.247  -1.111  -8.187
 1726    HE1  HIS  78           HE1      HIS  78  14.574   0.384  -4.998
 1727    H    GLU  79           H        GLU  79  10.374  -3.988  -8.483
 1728    HA   GLU  79           HA       GLU  79  12.091  -2.883 -10.661
 1729   1HB   GLU  79          1HB       GLU  79  11.694  -5.479 -10.623
 1730   2HB   GLU  79          2HB       GLU  79  10.066  -5.067 -11.161
 1731   1HG   GLU  79          1HG       GLU  79  11.461  -5.481 -13.115
 1732   2HG   GLU  79          2HG       GLU  79  11.070  -3.763 -13.046
 1733    H    LEU  80           H        LEU  80  10.835  -1.708 -12.265
 1734    HA   LEU  80           HA       LEU  80   8.039  -1.067 -11.380
 1735   1HB   LEU  80          1HB       LEU  80  10.316   0.645 -12.416
 1736   2HB   LEU  80          2HB       LEU  80   8.653   1.228 -12.370
 1737    HG   LEU  80           HG       LEU  80   9.856   0.008  -9.904
 1738   1HD1  LEU  80          1HD1      LEU  80  10.043   2.962 -10.288
 1739   2HD1  LEU  80          2HD1      LEU  80  11.257   1.965 -11.090
 1740   3HD1  LEU  80          3HD1      LEU  80  11.069   1.886  -9.338
 1741   1HD2  LEU  80          1HD2      LEU  80   8.242   1.432  -8.805
 1742   2HD2  LEU  80          2HD2      LEU  80   7.416   0.615 -10.132
 1743   3HD2  LEU  80          3HD2      LEU  80   7.913   2.298 -10.306
 1744    H    THR  81           H        THR  81   6.490  -0.928 -13.028
 1745    HA   THR  81           HA       THR  81   7.071  -2.263 -15.537
 1746    HB   THR  81           HB       THR  81   4.649  -1.526 -15.952
 1747    HG1  THR  81           HG1      THR  81   3.664  -0.674 -14.020
 1748   1HG2  THR  81          1HG2      THR  81   5.451  -3.650 -14.735
 1749   2HG2  THR  81          2HG2      THR  81   3.788  -3.144 -14.443
 1750   3HG2  THR  81          3HG2      THR  81   5.035  -2.806 -13.243
 1751    H    ALA  82           H        ALA  82   5.688   1.006 -15.019
 1752    HA   ALA  82           HA       ALA  82   7.629   2.363 -16.664
 1753   1HB   ALA  82          1HB       ALA  82   5.705   2.689 -18.504
 1754   2HB   ALA  82          2HB       ALA  82   5.194   1.117 -17.890
 1755   3HB   ALA  82          3HB       ALA  82   6.809   1.315 -18.572
 1756    H    GLY  83           H        GLY  83   4.275   2.258 -15.490
 1757   1HA   GLY  83          1HA       GLY  83   4.304   5.237 -15.313
 1758   2HA   GLY  83          2HA       GLY  83   2.845   4.247 -15.325
 1759    H    LEU  84           H        LEU  84   5.617   3.300 -13.409
 1760    HA   LEU  84           HA       LEU  84   5.820   3.030 -11.066
 1761   1HB   LEU  84          1HB       LEU  84   4.457   5.703 -11.480
 1762   2HB   LEU  84          2HB       LEU  84   4.935   5.153  -9.875
 1763    HG   LEU  84           HG       LEU  84   6.898   5.168 -12.165
 1764   1HD1  LEU  84          1HD1      LEU  84   5.623   7.456 -11.145
 1765   2HD1  LEU  84          2HD1      LEU  84   7.108   7.412 -12.096
 1766   3HD1  LEU  84          3HD1      LEU  84   7.189   7.400 -10.335
 1767   1HD2  LEU  84          1HD2      LEU  84   8.384   4.564 -10.570
 1768   2HD2  LEU  84          2HD2      LEU  84   6.985   4.223  -9.552
 1769   3HD2  LEU  84          3HD2      LEU  84   7.790   5.789  -9.449
 1770    H    LYS  85           H        LYS  85   3.324   1.973 -12.428
 1771    HA   LYS  85           HA       LYS  85   1.292   2.302 -10.282
 1772   1HB   LYS  85          1HB       LYS  85   1.418   1.480 -13.138
 1773   2HB   LYS  85          2HB       LYS  85   0.163   0.714 -12.163
 1774   1HG   LYS  85          1HG       LYS  85  -0.961   2.697 -11.810
 1775   2HG   LYS  85          2HG       LYS  85   0.512   3.665 -11.883
 1776   1HD   LYS  85          1HD       LYS  85   0.536   2.864 -14.400
 1777   2HD   LYS  85          2HD       LYS  85  -1.189   2.625 -14.122
 1778   1HE   LYS  85          1HE       LYS  85  -1.083   5.057 -13.111
 1779   2HE   LYS  85          2HE       LYS  85   0.396   5.184 -14.083
 1780   1HZ   LYS  85          1HZ       LYS  85  -1.691   5.776 -15.301
 1781   2HZ   LYS  85          2HZ       LYS  85  -2.192   4.162 -15.131
 1782   3HZ   LYS  85          3HZ       LYS  85  -0.794   4.528 -16.025
 1783    H    ARG  86           H        ARG  86   3.304  -0.200 -11.814
 1784    HA   ARG  86           HA       ARG  86   2.407  -2.105  -9.674
 1785   1HB   ARG  86          1HB       ARG  86   2.676  -2.237 -12.590
 1786   2HB   ARG  86          2HB       ARG  86   3.521  -3.559 -11.784
 1787   1HG   ARG  86          1HG       ARG  86   1.581  -4.558 -11.189
 1788   2HG   ARG  86          2HG       ARG  86   0.897  -3.041 -10.605
 1789   1HD   ARG  86          1HD       ARG  86   0.042  -2.469 -12.732
 1790   2HD   ARG  86          2HD       ARG  86   1.135  -3.586 -13.570
 1791    HE   ARG  86           HE       ARG  86  -0.340  -5.208 -11.849
 1792   1HH1  ARG  86          1HH1      ARG  86  -1.075  -2.931 -14.378
 1793   2HH1  ARG  86          2HH1      ARG  86  -2.534  -3.740 -14.833
 1794   1HH2  ARG  86          1HH2      ARG  86  -2.238  -6.241 -12.458
 1795   2HH2  ARG  86          2HH2      ARG  86  -3.190  -5.600 -13.756
 1796    H    MET  87           H        MET  87   4.011  -2.985  -8.405
 1797    HA   MET  87           HA       MET  87   6.859  -2.528  -9.236
 1798   1HB   MET  87          1HB       MET  87   5.299  -1.857  -6.798
 1799   2HB   MET  87          2HB       MET  87   6.904  -2.523  -6.502
 1800   1HG   MET  87          1HG       MET  87   7.747  -0.816  -8.231
 1801   2HG   MET  87          2HG       MET  87   6.170  -0.044  -8.067
 1802   1HE   MET  87          1HE       MET  87   8.764  -1.838  -6.315
 1803   2HE   MET  87          2HE       MET  87   8.246  -1.610  -4.644
 1804   3HE   MET  87          3HE       MET  87   9.582  -0.658  -5.291
 1805    H    ARG  88           H        ARG  88   7.766  -4.520  -9.584
 1806    HA   ARG  88           HA       ARG  88   6.728  -6.867  -8.063
 1807   1HB   ARG  88          1HB       ARG  88   8.568  -6.631 -10.472
 1808   2HB   ARG  88          2HB       ARG  88   7.874  -8.128  -9.853
 1809   1HG   ARG  88          1HG       ARG  88   5.792  -7.671 -10.703
 1810   2HG   ARG  88          2HG       ARG  88   5.959  -5.932 -10.459
 1811   1HD   ARG  88          1HD       ARG  88   7.527  -5.825 -12.387
 1812   2HD   ARG  88          2HD       ARG  88   7.299  -7.565 -12.648
 1813    HE   ARG  88           HE       ARG  88   4.716  -6.468 -12.499
 1814   1HH1  ARG  88          1HH1      ARG  88   7.553  -6.088 -14.482
 1815   2HH1  ARG  88          2HH1      ARG  88   6.646  -5.645 -15.886
 1816   1HH2  ARG  88          1HH2      ARG  88   3.561  -5.890 -14.337
 1817   2HH2  ARG  88          2HH2      ARG  88   4.404  -5.533 -15.808
 1818    H    ILE  89           H        ILE  89   7.988  -7.795  -6.481
 1819    HA   ILE  89           HA       ILE  89  10.659  -6.645  -5.940
 1820    HB   ILE  89           HB       ILE  89   8.832  -8.628  -4.535
 1821   1HG1  ILE  89          1HG1      ILE  89   9.628  -6.012  -3.362
 1822   2HG1  ILE  89          2HG1      ILE  89   8.539  -5.951  -4.748
 1823   1HG2  ILE  89          1HG2      ILE  89  11.436  -7.416  -3.555
 1824   2HG2  ILE  89          2HG2      ILE  89  11.224  -9.098  -4.042
 1825   3HG2  ILE  89          3HG2      ILE  89  10.372  -8.474  -2.629
 1826   1HD1  ILE  89          1HD1      ILE  89   7.882  -7.960  -2.662
 1827   2HD1  ILE  89          2HD1      ILE  89   6.810  -6.920  -3.600
 1828   3HD1  ILE  89          3HD1      ILE  89   7.670  -6.271  -2.202
 1829    H    PHE  90           H        PHE  90  12.066  -7.527  -7.493
 1830    HA   PHE  90           HA       PHE  90  12.020 -10.427  -8.058
 1831   1HB   PHE  90          1HB       PHE  90  13.316  -7.933  -9.093
 1832   2HB   PHE  90          2HB       PHE  90  14.112  -9.467  -9.440
 1833    HD1  PHE  90           HD1      PHE  90  13.006 -11.186 -10.806
 1834    HD2  PHE  90           HD2      PHE  90  11.140  -7.394 -10.035
 1835    HE1  PHE  90           HE1      PHE  90  11.377 -11.616 -12.627
 1836    HE2  PHE  90           HE2      PHE  90   9.512  -7.825 -11.856
 1837    HZ   PHE  90           HZ       PHE  90   9.630  -9.936 -13.152
 1838    H    THR  91           H        THR  91  14.636 -11.076  -8.365
 1839    HA   THR  91           HA       THR  91  15.937 -10.538  -5.719
 1840    HB   THR  91           HB       THR  91  16.538 -13.015  -5.811
 1841    HG1  THR  91           HG1      THR  91  14.484 -13.076  -7.755
 1842   1HG2  THR  91          1HG2      THR  91  14.564 -13.627  -4.734
 1843   2HG2  THR  91          2HG2      THR  91  13.550 -12.735  -5.868
 1844   3HG2  THR  91          3HG2      THR  91  14.473 -11.868  -4.640
 1845    H    ILE  92           H        ILE  92  17.587  -9.221  -6.598
 1846    HA   ILE  92           HA       ILE  92  18.943  -9.562  -9.051
 1847    HB   ILE  92           HB       ILE  92  20.729  -8.245  -7.880
 1848   1HG1  ILE  92          1HG1      ILE  92  19.010  -8.539  -5.411
 1849   2HG1  ILE  92          2HG1      ILE  92  20.409  -9.570  -5.713
 1850   1HG2  ILE  92          1HG2      ILE  92  18.969  -6.896  -8.689
 1851   2HG2  ILE  92          2HG2      ILE  92  19.097  -6.431  -6.992
 1852   3HG2  ILE  92          3HG2      ILE  92  17.821  -7.531  -7.512
 1853   1HD1  ILE  92          1HD1      ILE  92  21.463  -7.882  -4.550
 1854   2HD1  ILE  92          2HD1      ILE  92  20.298  -6.660  -5.062
 1855   3HD1  ILE  92          3HD1      ILE  92  21.562  -7.194  -6.171
 1856    H    LYS  93           H        LYS  93  19.181 -11.396  -6.097
 1857    HA   LYS  93           HA       LYS  93  21.178 -13.177  -7.396
 1858   1HB   LYS  93          1HB       LYS  93  22.522 -13.110  -5.276
 1859   2HB   LYS  93          2HB       LYS  93  22.454 -11.542  -6.081
 1860   1HG   LYS  93          1HG       LYS  93  21.534 -10.628  -4.242
 1861   2HG   LYS  93          2HG       LYS  93  20.187 -11.761  -4.345
 1862   1HD   LYS  93          1HD       LYS  93  21.080 -12.288  -2.252
 1863   2HD   LYS  93          2HD       LYS  93  21.899 -13.456  -3.290
 1864   1HE   LYS  93          1HE       LYS  93  23.935 -12.308  -3.194
 1865   2HE   LYS  93          2HE       LYS  93  23.155 -10.756  -2.834
 1866   1HZ   LYS  93          1HZ       LYS  93  22.986 -13.093  -1.013
 1867   2HZ   LYS  93          2HZ       LYS  93  22.610 -11.472  -0.671
 1868   3HZ   LYS  93          3HZ       LYS  93  24.228 -11.941  -0.886
 1869    HA   PRO  94           HA       PRO  94  18.858 -16.486  -5.711
 1870   1HB   PRO  94          1HB       PRO  94  21.328 -17.522  -4.390
 1871   2HB   PRO  94          2HB       PRO  94  20.245 -18.330  -5.538
 1872   1HG   PRO  94          1HG       PRO  94  22.666 -17.423  -6.251
 1873   2HG   PRO  94          2HG       PRO  94  21.290 -17.421  -7.363
 1874   1HD   PRO  94          1HD       PRO  94  22.574 -15.156  -5.938
 1875   2HD   PRO  94          2HD       PRO  94  21.738 -15.183  -7.504
 1876    H    ILE  95           H        ILE  95  17.983 -17.265  -3.666
 1877    HA   ILE  95           HA       ILE  95  18.972 -15.868  -1.215
 1878    HB   ILE  95           HB       ILE  95  16.193 -15.894  -2.433
 1879   1HG1  ILE  95          1HG1      ILE  95  18.020 -13.644  -1.543
 1880   2HG1  ILE  95          2HG1      ILE  95  17.779 -14.157  -3.213
 1881   1HG2  ILE  95          1HG2      ILE  95  15.333 -14.871  -0.428
 1882   2HG2  ILE  95          2HG2      ILE  95  16.944 -14.783   0.285
 1883   3HG2  ILE  95          3HG2      ILE  95  16.161 -16.347   0.063
 1884   1HD1  ILE  95          1HD1      ILE  95  15.331 -13.678  -2.945
 1885   2HD1  ILE  95          2HD1      ILE  95  16.342 -12.244  -2.775
 1886   3HD1  ILE  95          3HD1      ILE  95  15.675 -13.027  -1.343
 1887    H    ALA  96           H        ALA  96  18.965 -17.222   0.551
 1888    HA   ALA  96           HA       ALA  96  17.934 -19.981   0.181
 1889   1HB   ALA  96          1HB       ALA  96  20.023 -18.543   1.695
 1890   2HB   ALA  96          2HB       ALA  96  20.030 -20.194   1.075
 1891   3HB   ALA  96          3HB       ALA  96  19.239 -19.831   2.609
 1892    H    ILE  97           H        ILE  97  16.888 -20.997   2.155
 1893    HA   ILE  97           HA       ILE  97  14.556 -19.552   2.978
 1894    HB   ILE  97           HB       ILE  97  15.963 -22.018   4.067
 1895   1HG1  ILE  97          1HG1      ILE  97  13.560 -22.585   2.645
 1896   2HG1  ILE  97          2HG1      ILE  97  14.515 -21.486   1.650
 1897   1HG2  ILE  97          1HG2      ILE  97  14.386 -22.097   5.669
 1898   2HG2  ILE  97          2HG2      ILE  97  13.128 -22.072   4.434
 1899   3HG2  ILE  97          3HG2      ILE  97  13.736 -20.558   5.105
 1900   1HD1  ILE  97          1HD1      ILE  97  16.482 -23.139   2.443
 1901   2HD1  ILE  97          2HD1      ILE  97  15.506 -23.461   1.009
 1902   3HD1  ILE  97          3HD1      ILE  97  15.128 -24.266   2.533
 1903    H    GLY  98           H        GLY  98  14.504 -17.909   4.454
 1904   1HA   GLY  98          1HA       GLY  98  14.769 -17.158   6.756
 1905   2HA   GLY  98          2HA       GLY  98  16.232 -18.136   6.868
 1906    H    GLU  99           H        GLU  99  15.543 -16.072   4.102
 1907    HA   GLU  99           HA       GLU  99  17.950 -14.451   4.824
 1908   1HB   GLU  99          1HB       GLU  99  16.663 -15.511   2.383
 1909   2HB   GLU  99          2HB       GLU  99  17.258 -13.859   2.223
 1910   1HG   GLU  99          1HG       GLU  99  18.909 -16.171   3.282
 1911   2HG   GLU  99          2HG       GLU  99  18.972 -15.586   1.619
 1912    H    GLU 100           H        GLU 100  17.765 -12.199   5.061
 1913    HA   GLU 100           HA       GLU 100  15.023 -11.117   5.287
 1914   1HB   GLU 100          1HB       GLU 100  17.303 -10.796   6.725
 1915   2HB   GLU 100          2HB       GLU 100  17.444  -9.413   5.639
 1916   1HG   GLU 100          1HG       GLU 100  14.732  -9.709   6.685
 1917   2HG   GLU 100          2HG       GLU 100  15.917  -9.518   7.976
 1918    H    ILE 101           H        ILE 101  14.079 -10.163   3.558
 1919    HA   ILE 101           HA       ILE 101  15.688  -9.395   1.214
 1920    HB   ILE 101           HB       ILE 101  12.717  -9.415   1.854
 1921   1HG1  ILE 101          1HG1      ILE 101  14.190 -11.277   0.000
 1922   2HG1  ILE 101          2HG1      ILE 101  14.129 -11.600   1.732
 1923   1HG2  ILE 101          1HG2      ILE 101  12.405  -8.289  -0.068
 1924   2HG2  ILE 101          2HG2      ILE 101  13.248  -9.570  -0.940
 1925   3HG2  ILE 101          3HG2      ILE 101  14.150  -8.192  -0.308
 1926   1HD1  ILE 101          1HD1      ILE 101  11.960 -12.246   1.636
 1927   2HD1  ILE 101          2HD1      ILE 101  12.191 -12.335  -0.110
 1928   3HD1  ILE 101          3HD1      ILE 101  11.517 -10.876   0.617
 1929    H    THR 102           H        THR 102  16.410  -7.356   0.931
 1930    HA   THR 102           HA       THR 102  14.793  -5.051   1.897
 1931    HB   THR 102           HB       THR 102  16.798  -4.115   2.995
 1932    HG1  THR 102           HG1      THR 102  18.636  -4.861   2.371
 1933   1HG2  THR 102          1HG2      THR 102  16.940  -5.651   4.867
 1934   2HG2  THR 102          2HG2      THR 102  16.392  -6.992   3.862
 1935   3HG2  THR 102          3HG2      THR 102  15.285  -5.677   4.257
 1936    H    ILE 103           H        ILE 103  16.238  -2.961   1.132
 1937    HA   ILE 103           HA       ILE 103  17.588  -3.485  -1.453
 1938    HB   ILE 103           HB       ILE 103  15.987  -2.018  -2.648
 1939   1HG1  ILE 103          1HG1      ILE 103  13.843  -2.013  -0.744
 1940   2HG1  ILE 103          2HG1      ILE 103  15.266  -1.293   0.010
 1941   1HG2  ILE 103          1HG2      ILE 103  15.613  -4.523  -2.401
 1942   2HG2  ILE 103          2HG2      ILE 103  14.172  -3.578  -2.774
 1943   3HG2  ILE 103          3HG2      ILE 103  14.456  -4.139  -1.127
 1944   1HD1  ILE 103          1HD1      ILE 103  14.733  -0.461  -2.786
 1945   2HD1  ILE 103          2HD1      ILE 103  15.266   0.502  -1.408
 1946   3HD1  ILE 103          3HD1      ILE 103  13.560   0.091  -1.590
 1947    H    SER 104           H        SER 104  18.635  -1.505  -2.287
 1948    HA   SER 104           HA       SER 104  19.433   0.301  -0.069
 1949   1HB   SER 104          1HB       SER 104  21.061  -0.921  -1.553
 1950   2HB   SER 104          2HB       SER 104  20.456   0.017  -2.919
 1951    HG   SER 104           HG       SER 104  22.299   0.705  -1.158
 1952    H    TYR 105           H        TYR 105  20.054   2.626  -1.240
 1953    HA   TYR 105           HA       TYR 105  17.536   3.554  -2.590
 1954   1HB   TYR 105          1HB       TYR 105  19.247   5.103  -0.613
 1955   2HB   TYR 105          2HB       TYR 105  17.641   5.530  -1.197
 1956    HD1  TYR 105           HD1      TYR 105  16.111   3.078  -1.000
 1957    HD2  TYR 105           HD2      TYR 105  19.098   4.629   1.669
 1958    HE1  TYR 105           HE1      TYR 105  15.099   1.805   0.873
 1959    HE2  TYR 105           HE2      TYR 105  18.087   3.357   3.541
 1960    HH   TYR 105           HH       TYR 105  15.026   1.984   3.389
 1961    H    GLY 106           H        GLY 106  20.777   4.867  -1.799
 1962   1HA   GLY 106          1HA       GLY 106  22.427   5.768  -3.209
 1963   2HA   GLY 106          2HA       GLY 106  21.598   5.008  -4.566
 1964    H    ASP 107           H        ASP 107  22.071   7.045  -5.717
 1965    HA   ASP 107           HA       ASP 107  21.409   9.131  -6.584
 1966   1HB   ASP 107          1HB       ASP 107  19.006   7.866  -5.339
 1967   2HB   ASP 107          2HB       ASP 107  18.867   9.564  -5.793
 1968    H    ASP 108           H        ASP 108  19.368   9.479  -3.711
 1969    HA   ASP 108           HA       ASP 108  21.283  11.547  -2.687
 1970   1HB   ASP 108          1HB       ASP 108  18.691  11.825  -3.833
 1971   2HB   ASP 108          2HB       ASP 108  18.523  12.160  -2.109
 1972    H    TYR 109           H        TYR 109  18.688   9.241  -1.919
 1973    HA   TYR 109           HA       TYR 109  18.366   9.580   0.823
 1974   1HB   TYR 109          1HB       TYR 109  18.087   7.494  -1.191
 1975   2HB   TYR 109          2HB       TYR 109  18.514   6.804   0.375
 1976    HD1  TYR 109           HD1      TYR 109  16.243   9.419  -1.079
 1977    HD2  TYR 109           HD2      TYR 109  16.799   6.362   1.887
 1978    HE1  TYR 109           HE1      TYR 109  13.914   9.757  -0.294
 1979    HE2  TYR 109           HE2      TYR 109  14.471   6.699   2.671
 1980    HH   TYR 109           HH       TYR 109  12.154   8.094   1.004
 1981    H    TRP 110           H        TRP 110  20.194  10.096   2.059
 1982    HA   TRP 110           HA       TRP 110  22.788   9.002   1.875
 1983   1HB   TRP 110          1HB       TRP 110  23.040   9.935   4.101
 1984   2HB   TRP 110          2HB       TRP 110  21.952  10.986   3.197
 1985    HD1  TRP 110           HD1      TRP 110  19.387  11.014   3.895
 1986    HE1  TRP 110           HE1      TRP 110  18.168  10.187   6.016
 1987    HE3  TRP 110           HE3      TRP 110  23.049   8.125   5.921
 1988    HZ2  TRP 110           HZ2      TRP 110  18.697   8.506   8.284
 1989    HZ3  TRP 110           HZ3      TRP 110  22.684   6.920   8.039
 1990    HH2  TRP 110           HH2      TRP 110  20.514   7.104   9.236
 1991    H    LEU 111           H        LEU 111  23.431   6.910   2.093
 1992    HA   LEU 111           HA       LEU 111  21.653   4.918   3.310
 1993   1HB   LEU 111          1HB       LEU 111  23.429   4.965   1.241
 1994   2HB   LEU 111          2HB       LEU 111  24.445   4.265   2.500
 1995    HG   LEU 111           HG       LEU 111  22.778   2.506   2.899
 1996   1HD1  LEU 111          1HD1      LEU 111  21.109   4.330   1.371
 1997   2HD1  LEU 111          2HD1      LEU 111  20.633   2.970   2.387
 1998   3HD1  LEU 111          3HD1      LEU 111  21.055   2.702   0.696
 1999   1HD2  LEU 111          1HD2      LEU 111  24.485   2.128   1.160
 2000   2HD2  LEU 111          2HD2      LEU 111  23.424   2.858  -0.045
 2001   3HD2  LEU 111          3HD2      LEU 111  22.968   1.340   0.728
 2002    H    SER 112           H        SER 112  23.940   3.258   4.243
 2003    HA   SER 112           HA       SER 112  24.450   4.683   6.832
 2004   1HB   SER 112          1HB       SER 112  23.089   2.308   6.207
 2005   2HB   SER 112          2HB       SER 112  24.640   1.767   6.847
 2006    HG   SER 112           HG       SER 112  24.269   2.912   8.702
 2007    H    ARG 113           H        ARG 113  26.495   5.506   5.855
 2008    HA   ARG 113           HA       ARG 113  28.821   5.374   5.459
 2009   1HB   ARG 113          1HB       ARG 113  28.127   4.142   7.799
 2010   2HB   ARG 113          2HB       ARG 113  28.959   2.824   6.974
 2011   1HG   ARG 113          1HG       ARG 113  30.927   4.232   6.635
 2012   2HG   ARG 113          2HG       ARG 113  30.094   5.611   7.353
 2013   1HD   ARG 113          1HD       ARG 113  29.782   3.849   9.371
 2014   2HD   ARG 113          2HD       ARG 113  31.293   3.226   8.681
 2015    HE   ARG 113           HE       ARG 113  32.359   5.238   9.343
 2016   1HH1  ARG 113          1HH1      ARG 113  28.895   5.585   9.395
 2017   2HH1  ARG 113          2HH1      ARG 113  28.953   7.154  10.119
 2018   1HH2  ARG 113          1HH2      ARG 113  32.407   7.276  10.283
 2019   2HH2  ARG 113          2HH2      ARG 113  30.925   8.106  10.620
 2020    HA   PRO 114           HA       PRO 114  27.970   1.705   2.555
 2021   1HB   PRO 114          1HB       PRO 114  27.817   3.238   0.236
 2022   2HB   PRO 114          2HB       PRO 114  26.415   2.659   1.152
 2023   1HG   PRO 114          1HG       PRO 114  27.689   5.338   1.117
 2024   2HG   PRO 114          2HG       PRO 114  25.987   4.899   1.307
 2025   1HD   PRO 114          1HD       PRO 114  27.583   5.688   3.372
 2026   2HD   PRO 114          2HD       PRO 114  26.186   4.610   3.569
 2027    H    ARG 115           H        ARG 115  29.550   4.665   1.283
 2028    HA   ARG 115           HA       ARG 115  31.771   5.042   0.580
 2029   1HB   ARG 115          1HB       ARG 115  31.846   3.376   2.870
 2030   2HB   ARG 115          2HB       ARG 115  32.982   2.667   1.722
 2031   1HG   ARG 115          1HG       ARG 115  34.460   4.337   2.056
 2032   2HG   ARG 115          2HG       ARG 115  33.226   5.559   1.755
 2033   1HD   ARG 115          1HD       ARG 115  33.123   6.020   3.970
 2034   2HD   ARG 115          2HD       ARG 115  32.732   4.326   4.320
 2035    HE   ARG 115           HE       ARG 115  35.484   4.399   3.701
 2036   1HH1  ARG 115          1HH1      ARG 115  33.324   5.732   6.085
 2037   2HH1  ARG 115          2HH1      ARG 115  34.540   5.792   7.313
 2038   1HH2  ARG 115          1HH2      ARG 115  37.045   4.487   5.313
 2039   2HH2  ARG 115          2HH2      ARG 115  36.631   5.093   6.882
 2040    H    LEU 116           H        LEU 116  31.780   1.471   0.731
 2041    HA   LEU 116           HA       LEU 116  32.177  -0.113  -0.976
 2042   1HB   LEU 116          1HB       LEU 116  30.383   2.027  -2.073
 2043   2HB   LEU 116          2HB       LEU 116  30.995   0.813  -3.195
 2044    HG   LEU 116           HG       LEU 116  28.825   0.124  -2.227
 2045   1HD1  LEU 116          1HD1      LEU 116  29.465  -2.068  -2.035
 2046   2HD1  LEU 116          2HD1      LEU 116  30.727  -1.704  -0.858
 2047   3HD1  LEU 116          3HD1      LEU 116  31.015  -1.423  -2.575
 2048   1HD2  LEU 116          1HD2      LEU 116  28.663  -0.364   0.173
 2049   2HD2  LEU 116          2HD2      LEU 116  29.086   1.331  -0.071
 2050   3HD2  LEU 116          3HD2      LEU 116  30.327   0.172   0.408
 2051    H    THR 117           H        THR 117  34.341   1.711  -0.531
 2052    HA   THR 117           HA       THR 117  35.337   3.011  -2.853
 2053    HB   THR 117           HB       THR 117  36.858   1.542  -0.668
 2054    HG1  THR 117           HG1      THR 117  36.696   3.533   0.424
 2055   1HG2  THR 117          1HG2      THR 117  37.552   3.555  -2.756
 2056   2HG2  THR 117          2HG2      THR 117  38.538   2.264  -2.069
 2057   3HG2  THR 117          3HG2      THR 117  38.289   3.759  -1.167
 2058    H    GLN 118           H        GLN 118  37.004   2.253  -4.359
 2059    HA   GLN 118           HA       GLN 118  36.727  -0.660  -4.969
 2060   1HB   GLN 118          1HB       GLN 118  36.588   1.764  -6.450
 2061   2HB   GLN 118          2HB       GLN 118  38.045   0.931  -6.993
 2062   1HG   GLN 118          1HG       GLN 118  36.854  -0.701  -8.019
 2063   2HG   GLN 118          2HG       GLN 118  35.751  -0.867  -6.653
 2064   1HE2  GLN 118          1HE2      GLN 118  36.317   0.919  -9.673
 2065   2HE2  GLN 118          2HE2      GLN 118  34.755   1.573  -9.781
 2066    H    ASN 119           H        ASN 119  38.502  -0.097  -2.878
 2067    HA   ASN 119           HA       ASN 119  41.174  -0.459  -4.200
 2068   1HB   ASN 119          1HB       ASN 119  40.740   1.711  -2.954
 2069   2HB   ASN 119          2HB       ASN 119  40.557   0.755  -1.483
 2070   1HD2  ASN 119          1HD2      ASN 119  42.880   2.104  -3.718
 2071   2HD2  ASN 119          2HD2      ASN 119  44.270   1.522  -2.937
 2072   1H    GLY 201          1H        GLY 201  29.385  17.283   8.504
 2073   2H    GLY 201          2H        GLY 201  30.622  17.722   9.582
 2074   3H    GLY 201          3H        GLY 201  30.904  17.755   7.908
 2075   1HA   GLY 201          1HA       GLY 201  29.725  19.670   7.577
 2076   2HA   GLY 201          2HA       GLY 201  28.742  19.403   9.016
 2077    H    LYS 202           H        LYS 202  30.431  21.754   8.200
 2078    HA   LYS 202           HA       LYS 202  32.460  21.755  10.393
 2079   1HB   LYS 202          1HB       LYS 202  32.144  22.905   7.713
 2080   2HB   LYS 202          2HB       LYS 202  32.659  24.106   8.898
 2081   1HG   LYS 202          1HG       LYS 202  34.623  22.921   9.426
 2082   2HG   LYS 202          2HG       LYS 202  33.995  21.408   8.773
 2083   1HD   LYS 202          1HD       LYS 202  35.502  22.120   7.110
 2084   2HD   LYS 202          2HD       LYS 202  33.943  22.675   6.499
 2085   1HE   LYS 202          1HE       LYS 202  34.363  24.930   7.254
 2086   2HE   LYS 202          2HE       LYS 202  35.799  24.416   8.159
 2087   1HZ   LYS 202          1HZ       LYS 202  35.385  24.457   5.225
 2088   2HZ   LYS 202          2HZ       LYS 202  36.590  23.494   5.935
 2089   3HZ   LYS 202          3HZ       LYS 202  36.633  25.182   6.120
 2090    H    ALA 203           H        ALA 203  29.655  23.560   9.141
 2091    HA   ALA 203           HA       ALA 203  29.538  25.010  11.767
 2092   1HB   ALA 203          1HB       ALA 203  30.171  26.365   9.744
 2093   2HB   ALA 203          2HB       ALA 203  28.662  26.903  10.481
 2094   3HB   ALA 203          3HB       ALA 203  28.627  25.924   9.014
 2095    HA   PRO 204           HA       PRO 204  25.527  23.284  12.280
 2096   1HB   PRO 204          1HB       PRO 204  24.241  25.409  13.523
 2097   2HB   PRO 204          2HB       PRO 204  25.325  24.278  14.352
 2098   1HG   PRO 204          1HG       PRO 204  25.854  27.024  13.343
 2099   2HG   PRO 204          2HG       PRO 204  26.456  26.222  14.801
 2100   1HD   PRO 204          1HD       PRO 204  27.957  26.561  12.563
 2101   2HD   PRO 204          2HD       PRO 204  28.174  25.195  13.677
 2102    H    ARG 205           H        ARG 205  23.984  23.078  10.709
 2103    HA   ARG 205           HA       ARG 205  23.426  25.377   8.916
 2104   1HB   ARG 205          1HB       ARG 205  23.088  22.391   8.914
 2105   2HB   ARG 205          2HB       ARG 205  22.082  23.351   7.829
 2106   1HG   ARG 205          1HG       ARG 205  23.891  24.083   6.578
 2107   2HG   ARG 205          2HG       ARG 205  25.017  23.931   7.927
 2108   1HD   ARG 205          1HD       ARG 205  24.988  21.490   7.727
 2109   2HD   ARG 205          2HD       ARG 205  23.766  21.588   6.444
 2110    HE   ARG 205           HE       ARG 205  25.472  22.286   4.954
 2111   1HH1  ARG 205          1HH1      ARG 205  26.501  22.610   8.264
 2112   2HH1  ARG 205          2HH1      ARG 205  28.122  23.034   7.833
 2113   1HH2  ARG 205          1HH2      ARG 205  27.582  22.838   4.421
 2114   2HH2  ARG 205          2HH2      ARG 205  28.732  23.162   5.675
 2115    H    LYS 206           H        LYS 206  21.189  25.975   8.441
 2116    HA   LYS 206           HA       LYS 206  19.308  25.359  10.698
 2117   1HB   LYS 206          1HB       LYS 206  20.462  27.757   9.931
 2118   2HB   LYS 206          2HB       LYS 206  18.894  27.820   9.127
 2119   1HG   LYS 206          1HG       LYS 206  18.382  28.715  11.224
 2120   2HG   LYS 206          2HG       LYS 206  17.985  27.013  11.460
 2121   1HD   LYS 206          1HD       LYS 206  19.312  27.650  13.349
 2122   2HD   LYS 206          2HD       LYS 206  20.376  26.709  12.302
 2123   1HE   LYS 206          1HE       LYS 206  21.800  28.480  12.339
 2124   2HE   LYS 206          2HE       LYS 206  20.597  29.372  11.388
 2125   1HZ   LYS 206          1HZ       LYS 206  20.873  29.228  14.337
 2126   2HZ   LYS 206          2HZ       LYS 206  19.427  29.727  13.600
 2127   3HZ   LYS 206          3HZ       LYS 206  20.856  30.612  13.353
 2128    H    GLN 207           H        GLN 207  19.554  26.087   7.213
 2129    HA   GLN 207           HA       GLN 207  16.740  25.546   6.686
 2130   1HB   GLN 207          1HB       GLN 207  19.199  25.704   4.900
 2131   2HB   GLN 207          2HB       GLN 207  17.530  25.757   4.333
 2132   1HG   GLN 207          1HG       GLN 207  17.435  27.966   4.751
 2133   2HG   GLN 207          2HG       GLN 207  17.855  27.682   6.440
 2134   1HE2  GLN 207          1HE2      GLN 207  18.868  29.499   3.928
 2135   2HE2  GLN 207          2HE2      GLN 207  20.542  29.515   4.205
 2136    H    LEU 208           H        LEU 208  16.092  23.743   5.168
 2137    HA   LEU 208           HA       LEU 208  17.841  21.340   5.255
 2138   1HB   LEU 208          1HB       LEU 208  15.482  21.902   6.909
 2139   2HB   LEU 208          2HB       LEU 208  15.336  20.386   6.021
 2140    HG   LEU 208           HG       LEU 208  17.803  21.117   7.615
 2141   1HD1  LEU 208          1HD1      LEU 208  15.363  19.522   8.453
 2142   2HD1  LEU 208          2HD1      LEU 208  15.927  21.033   9.168
 2143   3HD1  LEU 208          3HD1      LEU 208  16.883  19.561   9.347
 2144   1HD2  LEU 208          1HD2      LEU 208  18.166  18.657   7.496
 2145   2HD2  LEU 208          2HD2      LEU 208  18.108  19.398   5.896
 2146   3HD2  LEU 208          3HD2      LEU 208  16.712  18.511   6.508
 2147    H    ALA 209           H        ALA 209  16.891  19.567   3.880
 2148    HA   ALA 209           HA       ALA 209  15.292  20.736   1.631
 2149   1HB   ALA 209          1HB       ALA 209  16.584  19.341   0.220
 2150   2HB   ALA 209          2HB       ALA 209  17.001  18.246   1.538
 2151   3HB   ALA 209          3HB       ALA 209  17.745  19.842   1.449
 2152    H    THR 210           H        THR 210  13.192  20.035   1.670
 2153    HA   THR 210           HA       THR 210  12.588  17.362   2.863
 2154    HB   THR 210           HB       THR 210  10.216  18.403   2.736
 2155    HG1  THR 210           HG1      THR 210  10.164  20.205   1.693
 2156   1HG2  THR 210          1HG2      THR 210  12.505  19.140   4.471
 2157   2HG2  THR 210          2HG2      THR 210  10.931  18.472   4.906
 2158   3HG2  THR 210          3HG2      THR 210  11.097  20.197   4.579
 2159    H    LYS 211           H        LYS 211  12.265  19.291  -0.085
 2160    HA   LYS 211           HA       LYS 211  10.712  17.183  -1.453
 2161   1HB   LYS 211          1HB       LYS 211  10.921  19.935  -1.603
 2162   2HB   LYS 211          2HB       LYS 211  11.876  19.418  -2.993
 2163   1HG   LYS 211          1HG       LYS 211   9.964  17.974  -3.712
 2164   2HG   LYS 211          2HG       LYS 211   9.012  18.629  -2.380
 2165   1HD   LYS 211          1HD       LYS 211   8.413  20.315  -3.754
 2166   2HD   LYS 211          2HD       LYS 211  10.084  20.876  -3.679
 2167   1HE   LYS 211          1HE       LYS 211   9.599  18.625  -5.553
 2168   2HE   LYS 211          2HE       LYS 211   8.863  20.173  -6.010
 2169   1HZ   LYS 211          1HZ       LYS 211  11.682  19.844  -5.115
 2170   2HZ   LYS 211          2HZ       LYS 211  10.962  21.268  -5.696
 2171   3HZ   LYS 211          3HZ       LYS 211  11.209  19.953  -6.742
 2172    H    ALA 212           H        ALA 212  11.619  16.714  -3.808
 2173    HA   ALA 212           HA       ALA 212  13.268  15.563  -5.048
 2174   1HB   ALA 212          1HB       ALA 212  14.901  17.085  -5.510
 2175   2HB   ALA 212          2HB       ALA 212  15.477  17.080  -3.843
 2176   3HB   ALA 212          3HB       ALA 212  14.119  18.107  -4.304
 2177    H    ALA 213           H        ALA 213  15.817  14.764  -4.533
 2178    HA   ALA 213           HA       ALA 213  17.017  13.082  -3.389
 2179   1HB   ALA 213          1HB       ALA 213  16.151  15.188  -1.589
 2180   2HB   ALA 213          2HB       ALA 213  17.669  14.291  -1.583
 2181   3HB   ALA 213          3HB       ALA 213  16.268  13.658  -0.720
 2182    H    ARG 214           H        ARG 214  15.017  11.774  -4.401
 2183    HA   ARG 214           HA       ARG 214  13.427  10.522  -2.198
 2184   1HB   ARG 214          1HB       ARG 214  13.137  10.900  -5.174
 2185   2HB   ARG 214          2HB       ARG 214  12.238   9.612  -4.372
 2186   1HG   ARG 214          1HG       ARG 214  12.185  12.518  -3.507
 2187   2HG   ARG 214          2HG       ARG 214  10.961  11.769  -4.531
 2188   1HD   ARG 214          1HD       ARG 214   9.907  11.097  -2.635
 2189   2HD   ARG 214          2HD       ARG 214  11.291  10.037  -2.308
 2190    HE   ARG 214           HE       ARG 214  12.022  11.619  -0.713
 2191   1HH1  ARG 214          1HH1      ARG 214   9.847  13.098  -2.993
 2192   2HH1  ARG 214          2HH1      ARG 214   9.841  14.618  -2.168
 2193   1HH2  ARG 214          1HH2      ARG 214  11.998  13.602   0.339
 2194   2HH2  ARG 214          2HH2      ARG 214  11.049  14.904  -0.296
 2195   1HN   MLZ 215          1HN       MLZ 215  12.875   8.072  -3.210
 2196    HA   MLZ 215           HA       MLZ 215  15.389   6.632  -2.883
 2197   1HB   MLZ 215          1HB       MLZ 215  12.480   6.129  -3.042
 2198   2HB   MLZ 215          2HB       MLZ 215  13.472   4.814  -3.673
 2199   1HG   MLZ 215          1HG       MLZ 215  14.285   6.046  -1.075
 2200   2HG   MLZ 215          2HG       MLZ 215  14.438   4.376  -1.621
 2201   1HD   MLZ 215          1HD       MLZ 215  11.949   5.784  -0.630
 2202   2HD   MLZ 215          2HD       MLZ 215  11.890   4.243  -1.487
 2203   1HE   MLZ 215          1HE       MLZ 215  13.899   4.160   0.612
 2204   2HE   MLZ 215          2HE       MLZ 215  12.471   3.129   0.400
 2205    HZ   MLZ 215           HZ       MLZ 215  11.098   4.839   1.358
 2206   1HCM  MLZ 215          1HCM      MLZ 215  12.014   3.367   2.946
 2207   2HCM  MLZ 215          2HCM      MLZ 215  12.121   4.994   3.617
 2208   3HCM  MLZ 215          3HCM      MLZ 215  13.548   4.235   2.914
 2209    H    SER 216           H        SER 216  16.745   6.032  -4.525
 2210    HA   SER 216           HA       SER 216  17.517   5.540  -6.702
 2211   1HB   SER 216          1HB       SER 216  16.935   7.230  -8.253
 2212   2HB   SER 216          2HB       SER 216  15.287   7.350  -7.637
 2213    HG   SER 216           HG       SER 216  16.005   8.426  -5.879
 2214    H    ALA 217           H        ALA 217  16.384   5.078  -9.084
 2215    HA   ALA 217           HA       ALA 217  14.542   2.815  -8.537
 2216   1HB   ALA 217          1HB       ALA 217  13.715   5.388  -9.413
 2217   2HB   ALA 217          2HB       ALA 217  12.734   3.924  -9.341
 2218   3HB   ALA 217          3HB       ALA 217  13.606   4.330 -10.819
 2219    HA   PRO 218           HA       PRO 218  16.706   0.833 -11.799
 2220   1HB   PRO 218          1HB       PRO 218  14.628  -0.204 -13.351
 2221   2HB   PRO 218          2HB       PRO 218  15.269  -0.963 -11.883
 2222   1HG   PRO 218          1HG       PRO 218  12.826   0.682 -12.261
 2223   2HG   PRO 218          2HG       PRO 218  13.105  -0.696 -11.188
 2224   1HD   PRO 218          1HD       PRO 218  13.048   1.871 -10.315
 2225   2HD   PRO 218          2HD       PRO 218  14.036   0.612  -9.544
 2226    H    ALA 219           H        ALA 219  16.553   0.635 -14.408
 2227    HA   ALA 219           HA       ALA 219  16.765   1.858 -16.420
 2228   1HB   ALA 219          1HB       ALA 219  14.269   1.665 -16.014
 2229   2HB   ALA 219          2HB       ALA 219  14.729   3.070 -16.976
 2230   3HB   ALA 219          3HB       ALA 219  14.327   3.263 -15.269
 2231    H    THR 220           H        THR 220  18.750   2.902 -15.460
 2232    HA   THR 220           HA       THR 220  18.374   5.850 -15.317
 2233    HB   THR 220           HB       THR 220  20.043   5.652 -13.287
 2234    HG1  THR 220           HG1      THR 220  19.880   3.729 -12.207
 2235   1HG2  THR 220          1HG2      THR 220  17.216   4.700 -12.806
 2236   2HG2  THR 220          2HG2      THR 220  17.563   6.350 -13.324
 2237   3HG2  THR 220          3HG2      THR 220  18.200   5.755 -11.791
 2238    H    GLY 221           H        GLY 221  19.410   4.886 -17.547
 2239   1HA   GLY 221          1HA       GLY 221  21.304   5.011 -18.927
 2240   2HA   GLY 221          2HA       GLY 221  22.119   5.836 -17.598
 2241   1HN   SAH 301          1HN       SAH 301 -11.595  -1.328  -7.283
 2242   2HN   SAH 301          2HN       SAH 301 -10.550  -0.894  -8.555
 2243    HA   SAH 301           HA       SAH 301 -10.912   1.516  -7.741
 2244   1HB   SAH 301          1HB       SAH 301 -11.944  -0.302  -5.553
 2245   2HB   SAH 301          2HB       SAH 301 -11.330   1.309  -5.180
 2246   1HG   SAH 301          1HG       SAH 301 -13.926   0.769  -5.917
 2247   2HG   SAH 301          2HG       SAH 301 -13.204   1.256  -7.451
 2248   1H5*  SAH 301          1H5*      SAH 301 -15.398   2.180  -5.698
 2249   2H5*  SAH 301          2H5*      SAH 301 -15.176   3.592  -4.664
 2250    H4*  SAH 301           H4*      SAH 301 -14.809   4.802  -6.917
 2251    H3*  SAH 301           H3*      SAH 301 -17.079   4.239  -5.205
 2252   *HO3  SAH 301          *HO3      SAH 301 -17.597   6.415  -6.270
 2253    H2*  SAH 301           H2*      SAH 301 -18.652   3.640  -6.678
 2254   *HO2  SAH 301          *HO2      SAH 301 -17.807   5.748  -8.384
 2255    H1*  SAH 301           H1*      SAH 301 -17.256   3.805  -9.194
 2256    H8   SAH 301           H8       SAH 301 -16.676   0.855  -6.870
 2257   1HN6  SAH 301          1HN6      SAH 301 -21.471  -1.847  -9.130
 2258   2HN6  SAH 301          2HN6      SAH 301 -21.216  -1.406  -7.457
 2259    H2   SAH 301           H2       SAH 301 -21.446   2.473 -10.812
 2260   1HN   SAH 302          1HN       SAH 302  11.712  -1.392   7.304
 2261   2HN   SAH 302          2HN       SAH 302  10.701  -0.950   8.595
 2262    HA   SAH 302           HA       SAH 302  11.079   1.457   7.785
 2263   1HB   SAH 302          1HB       SAH 302  12.057  -0.365   5.576
 2264   2HB   SAH 302          2HB       SAH 302  11.453   1.252   5.214
 2265   1HG   SAH 302          1HG       SAH 302  14.053   0.676   5.905
 2266   2HG   SAH 302          2HG       SAH 302  13.364   1.166   7.453
 2267   1H5*  SAH 302          1H5*      SAH 302  15.540   2.067   5.669
 2268   2H5*  SAH 302          2H5*      SAH 302  15.319   3.485   4.643
 2269    H4*  SAH 302           H4*      SAH 302  15.006   4.693   6.905
 2270    H3*  SAH 302           H3*      SAH 302  17.239   4.107   5.154
 2271   *HO3  SAH 302          *HO3      SAH 302  17.804   6.272   6.217
 2272    H2*  SAH 302           H2*      SAH 302  18.829   3.482   6.598
 2273   *HO2  SAH 302          *HO2      SAH 302  18.041   5.594   8.326
 2274    H1*  SAH 302           H1*      SAH 302  17.477   3.654   9.138
 2275    H8   SAH 302           H8       SAH 302  16.819   0.720   6.813
 2276   1HN6  SAH 302          1HN6      SAH 302  21.616  -2.051   8.981
 2277   2HN6  SAH 302          2HN6      SAH 302  21.340  -1.600   7.314
 2278    H2   SAH 302           H2       SAH 302  21.677   2.262  10.680
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1  -0.212 -12.177  -8.125
    2   2H    MET   1          2H        MET   1   0.270 -11.688  -6.572
    3   3H    MET   1          3H        MET   1   0.617 -10.710  -7.916
    4    HA   MET   1           HA       MET   1  -1.306  -9.939  -6.507
    5   1HB   MET   1          1HB       MET   1  -1.057 -10.421  -9.427
    6   2HB   MET   1          2HB       MET   1  -2.666  -9.949  -8.881
    7   1HG   MET   1          1HG       MET   1  -0.221  -8.440  -7.966
    8   2HG   MET   1          2HG       MET   1  -0.990  -8.064  -9.509
    9   1HE   MET   1          1HE       MET   1  -1.546  -7.521  -5.422
   10   2HE   MET   1          2HE       MET   1  -1.581  -5.891  -6.093
   11   3HE   MET   1          3HE       MET   1  -0.320  -7.020  -6.586
   12    H    PHE   2           H        PHE   2  -1.226 -12.984  -6.292
   13    HA   PHE   2           HA       PHE   2  -4.078 -13.356  -5.775
   14   1HB   PHE   2          1HB       PHE   2  -4.285 -15.210  -7.453
   15   2HB   PHE   2          2HB       PHE   2  -3.984 -13.648  -8.214
   16    HD1  PHE   2           HD1      PHE   2  -1.703 -13.076  -9.045
   17    HD2  PHE   2           HD2      PHE   2  -2.665 -16.985  -7.547
   18    HE1  PHE   2           HE1      PHE   2   0.346 -13.986 -10.104
   19    HE2  PHE   2           HE2      PHE   2  -0.616 -17.896  -8.606
   20    HZ   PHE   2           HZ       PHE   2   0.890 -16.396  -9.885
   21    H    ASN   3           H        ASN   3  -4.177 -14.720  -4.033
   22    HA   ASN   3           HA       ASN   3  -1.893 -16.622  -3.610
   23   1HB   ASN   3          1HB       ASN   3  -2.355 -16.224  -1.193
   24   2HB   ASN   3          2HB       ASN   3  -1.993 -14.717  -2.035
   25   1HD2  ASN   3          1HD2      ASN   3  -3.621 -13.103  -2.058
   26   2HD2  ASN   3          2HD2      ASN   3  -5.170 -13.317  -1.399
   27    H    ASP   4           H        ASP   4  -2.560 -18.562  -2.258
   28    HA   ASP   4           HA       ASP   4  -4.837 -19.895  -3.420
   29   1HB   ASP   4          1HB       ASP   4  -3.074 -20.478  -1.011
   30   2HB   ASP   4          2HB       ASP   4  -4.181 -21.644  -1.737
   31    H    ARG   5           H        ARG   5  -6.231 -17.873  -2.646
   32    HA   ARG   5           HA       ARG   5  -8.125 -18.759  -0.705
   33   1HB   ARG   5          1HB       ARG   5  -5.707 -17.609   0.335
   34   2HB   ARG   5          2HB       ARG   5  -7.026 -16.482   0.657
   35   1HG   ARG   5          1HG       ARG   5  -8.239 -18.812   1.321
   36   2HG   ARG   5          2HG       ARG   5  -6.570 -19.220   1.719
   37   1HD   ARG   5          1HD       ARG   5  -6.518 -16.941   2.964
   38   2HD   ARG   5          2HD       ARG   5  -8.287 -17.013   2.862
   39    HE   ARG   5           HE       ARG   5  -8.241 -18.799   4.415
   40   1HH1  ARG   5          1HH1      ARG   5  -5.101 -18.314   2.993
   41   2HH1  ARG   5          2HH1      ARG   5  -4.334 -19.470   4.025
   42   1HH2  ARG   5          1HH2      ARG   5  -7.222 -20.296   5.743
   43   2HH2  ARG   5          2HH2      ARG   5  -5.523 -20.585   5.570
   44    H    VAL   6           H        VAL   6  -6.551 -16.012  -2.287
   45    HA   VAL   6           HA       VAL   6  -9.205 -14.953  -3.060
   46    HB   VAL   6           HB       VAL   6  -7.152 -13.451  -1.392
   47   1HG1  VAL   6          1HG1      VAL   6  -8.237 -12.055  -3.162
   48   2HG1  VAL   6          2HG1      VAL   6  -8.672 -11.551  -1.529
   49   3HG1  VAL   6          3HG1      VAL   6  -9.810 -12.492  -2.493
   50   1HG2  VAL   6          1HG2      VAL   6  -9.213 -13.252   0.133
   51   2HG2  VAL   6          2HG2      VAL   6  -8.443 -14.836   0.050
   52   3HG2  VAL   6          3HG2      VAL   6  -9.925 -14.527  -0.855
   53    H    ILE   7           H        ILE   7  -8.985 -13.297  -4.767
   54    HA   ILE   7           HA       ILE   7  -6.255 -13.182  -6.003
   55    HB   ILE   7           HB       ILE   7  -7.613 -14.955  -7.055
   56   1HG1  ILE   7          1HG1      ILE   7  -7.779 -12.733  -9.047
   57   2HG1  ILE   7          2HG1      ILE   7  -6.195 -13.115  -8.372
   58   1HG2  ILE   7          1HG2      ILE   7  -9.599 -13.260  -8.306
   59   2HG2  ILE   7          2HG2      ILE   7  -9.719 -13.156  -6.551
   60   3HG2  ILE   7          3HG2      ILE   7  -9.834 -14.723  -7.349
   61   1HD1  ILE   7          1HD1      ILE   7  -7.220 -15.616  -8.930
   62   2HD1  ILE   7          2HD1      ILE   7  -6.107 -14.726  -9.969
   63   3HD1  ILE   7          3HD1      ILE   7  -7.843 -14.647 -10.265
   64    H    VAL   8           H        VAL   8  -6.003 -11.331  -7.484
   65    HA   VAL   8           HA       VAL   8  -7.701  -9.034  -6.642
   66    HB   VAL   8           HB       VAL   8  -5.045  -9.230  -8.111
   67   1HG1  VAL   8          1HG1      VAL   8  -4.952  -6.923  -8.143
   68   2HG1  VAL   8          2HG1      VAL   8  -5.957  -6.759  -6.704
   69   3HG1  VAL   8          3HG1      VAL   8  -6.701  -7.118  -8.263
   70   1HG2  VAL   8          1HG2      VAL   8  -4.614  -8.065  -5.644
   71   2HG2  VAL   8          2HG2      VAL   8  -4.303  -9.757  -6.033
   72   3HG2  VAL   8          3HG2      VAL   8  -5.828  -9.292  -5.279
   73    H    LYS   9           H        LYS   9  -9.369  -8.589  -7.987
   74    HA   LYS   9           HA       LYS   9  -8.897  -8.734 -10.939
   75   1HB   LYS   9          1HB       LYS   9 -11.386  -9.404  -9.340
   76   2HB   LYS   9          2HB       LYS   9 -11.270  -9.458 -11.098
   77   1HG   LYS   9          1HG       LYS   9  -9.129 -10.986 -10.441
   78   2HG   LYS   9          2HG       LYS   9 -10.183 -11.334  -9.071
   79   1HD   LYS   9          1HD       LYS   9 -12.004 -11.929 -10.629
   80   2HD   LYS   9          2HD       LYS   9 -10.945 -11.591 -11.995
   81   1HE   LYS   9          1HE       LYS   9  -9.548 -13.360 -10.246
   82   2HE   LYS   9          2HE       LYS   9 -11.168 -14.026 -10.512
   83   1HZ   LYS   9          1HZ       LYS   9  -9.195 -13.158 -12.558
   84   2HZ   LYS   9          2HZ       LYS   9 -10.828 -13.454 -12.921
   85   3HZ   LYS   9          3HZ       LYS   9  -9.844 -14.713 -12.344
   86    H    LYS  10           H        LYS  10 -10.379  -5.473 -11.193
   87    HA   LYS  10           HA       LYS  10  -9.717  -6.182 -13.312
   88   1HB   LYS  10          1HB       LYS  10  -7.769  -8.163 -12.405
   89   2HB   LYS  10          2HB       LYS  10  -7.510  -6.636 -13.235
   90   1HG   LYS  10          1HG       LYS  10  -7.988  -5.581 -10.876
   91   2HG   LYS  10          2HG       LYS  10  -7.548  -7.186 -10.291
   92   1HD   LYS  10          1HD       LYS  10  -5.784  -5.903 -12.332
   93   2HD   LYS  10          2HD       LYS  10  -5.726  -5.294 -10.679
   94   1HE   LYS  10          1HE       LYS  10  -5.514  -7.803  -9.996
   95   2HE   LYS  10          2HE       LYS  10  -5.061  -8.060 -11.692
   96   1HZ   LYS  10          1HZ       LYS  10  -3.826  -6.086  -9.835
   97   2HZ   LYS  10          2HZ       LYS  10  -3.407  -6.297 -11.467
   98   3HZ   LYS  10          3HZ       LYS  10  -3.110  -7.539 -10.347
   99    H    SER  11           H        SER  11 -12.004  -7.363 -12.826
  100    HA   SER  11           HA       SER  11 -11.640 -10.298 -13.249
  101   1HB   SER  11          1HB       SER  11 -13.272 -10.375 -11.676
  102   2HB   SER  11          2HB       SER  11 -13.326  -8.616 -11.644
  103    HG   SER  11           HG       SER  11 -15.295  -9.060 -12.320
  104    HA   PRO  12           HA       PRO  12 -13.315 -10.157 -17.299
  105   1HB   PRO  12          1HB       PRO  12 -15.467 -11.904 -17.249
  106   2HB   PRO  12          2HB       PRO  12 -13.773 -12.419 -17.331
  107   1HG   PRO  12          1HG       PRO  12 -15.625 -12.338 -15.012
  108   2HG   PRO  12          2HG       PRO  12 -14.342 -13.493 -15.393
  109   1HD   PRO  12          1HD       PRO  12 -14.104 -11.515 -13.525
  110   2HD   PRO  12          2HD       PRO  12 -12.729 -12.213 -14.398
  111    H    LEU  13           H        LEU  13 -15.500  -9.509 -14.664
  112    HA   LEU  13           HA       LEU  13 -16.916  -7.513 -16.325
  113   1HB   LEU  13          1HB       LEU  13 -17.880 -10.139 -15.954
  114   2HB   LEU  13          2HB       LEU  13 -18.831  -9.140 -14.855
  115    HG   LEU  13           HG       LEU  13 -18.363  -8.219 -17.679
  116   1HD1  LEU  13          1HD1      LEU  13 -20.763  -9.880 -16.943
  117   2HD1  LEU  13          2HD1      LEU  13 -19.285 -10.664 -17.500
  118   3HD1  LEU  13          3HD1      LEU  13 -20.119  -9.512 -18.543
  119   1HD2  LEU  13          1HD2      LEU  13 -19.689  -6.567 -16.919
  120   2HD2  LEU  13          2HD2      LEU  13 -19.883  -7.395 -15.374
  121   3HD2  LEU  13          3HD2      LEU  13 -20.984  -7.744 -16.707
  122    H    GLY  14           H        GLY  14 -15.272  -6.788 -14.316
  123   1HA   GLY  14          1HA       GLY  14 -17.129  -5.701 -12.314
  124   2HA   GLY  14          2HA       GLY  14 -15.883  -6.767 -11.665
  125    H    GLY  15           H        GLY  15 -14.738  -5.129 -10.558
  126   1HA   GLY  15          1HA       GLY  15 -13.263  -3.251 -12.348
  127   2HA   GLY  15          2HA       GLY  15 -13.993  -2.651 -10.859
  128    H    TYR  16           H        TYR  16 -11.708  -2.074 -10.304
  129    HA   TYR  16           HA       TYR  16  -9.778  -4.217  -9.832
  130   1HB   TYR  16          1HB       TYR  16  -9.928  -1.342  -9.911
  131   2HB   TYR  16          2HB       TYR  16  -9.177  -1.815  -8.390
  132    HD1  TYR  16           HD1      TYR  16  -6.952  -2.612  -8.324
  133    HD2  TYR  16           HD2      TYR  16  -9.011  -2.322 -12.083
  134    HE1  TYR  16           HE1      TYR  16  -4.838  -3.108  -9.521
  135    HE2  TYR  16           HE2      TYR  16  -6.896  -2.817 -13.279
  136    HH   TYR  16           HH       TYR  16  -3.987  -3.767 -11.549
  137    H    GLY  17           H        GLY  17 -11.831  -5.219  -8.487
  138   1HA   GLY  17          1HA       GLY  17 -11.550  -4.386  -5.631
  139   2HA   GLY  17          2HA       GLY  17 -12.923  -5.286  -6.272
  140    H    VAL  18           H        VAL  18 -12.301  -6.828  -4.436
  141    HA   VAL  18           HA       VAL  18 -10.028  -8.584  -5.330
  142    HB   VAL  18           HB       VAL  18  -9.542  -7.657  -3.174
  143   1HG1  VAL  18          1HG1      VAL  18 -11.531  -8.362  -1.400
  144   2HG1  VAL  18          2HG1      VAL  18 -12.439  -7.880  -2.828
  145   3HG1  VAL  18          3HG1      VAL  18 -11.306  -6.751  -2.089
  146   1HG2  VAL  18          1HG2      VAL  18  -9.329 -10.187  -3.447
  147   2HG2  VAL  18          2HG2      VAL  18 -10.819 -10.313  -2.512
  148   3HG2  VAL  18          3HG2      VAL  18  -9.383  -9.588  -1.789
  149    H    PHE  19           H        PHE  19 -10.578 -10.631  -5.942
  150    HA   PHE  19           HA       PHE  19 -13.426 -11.384  -5.911
  151   1HB   PHE  19          1HB       PHE  19 -10.986 -11.923  -7.400
  152   2HB   PHE  19          2HB       PHE  19 -11.813 -13.427  -7.001
  153    HD1  PHE  19           HD1      PHE  19 -12.999 -14.141  -8.880
  154    HD2  PHE  19           HD2      PHE  19 -13.096  -9.989  -7.785
  155    HE1  PHE  19           HE1      PHE  19 -14.650 -13.706 -10.677
  156    HE2  PHE  19           HE2      PHE  19 -14.748  -9.554  -9.583
  157    HZ   PHE  19           HZ       PHE  19 -15.523 -11.413 -11.032
  158    H    ALA  20           H        ALA  20 -14.284 -13.087  -4.740
  159    HA   ALA  20           HA       ALA  20 -12.632 -14.158  -2.529
  160   1HB   ALA  20          1HB       ALA  20 -14.632 -13.851  -1.504
  161   2HB   ALA  20          2HB       ALA  20 -15.326 -15.110  -2.527
  162   3HB   ALA  20          3HB       ALA  20 -15.370 -13.426  -3.049
  163    H    ARG  21           H        ARG  21 -11.353 -15.776  -3.590
  164    HA   ARG  21           HA       ARG  21 -12.419 -17.778  -5.372
  165   1HB   ARG  21          1HB       ARG  21  -9.957 -16.939  -4.409
  166   2HB   ARG  21          2HB       ARG  21 -10.140 -18.536  -3.682
  167   1HG   ARG  21          1HG       ARG  21  -9.228 -19.124  -5.729
  168   2HG   ARG  21          2HG       ARG  21 -10.941 -19.184  -6.130
  169   1HD   ARG  21          1HD       ARG  21 -10.866 -17.050  -7.203
  170   2HD   ARG  21          2HD       ARG  21  -9.281 -16.672  -6.502
  171    HE   ARG  21           HE       ARG  21  -8.795 -19.011  -7.867
  172   1HH1  ARG  21          1HH1      ARG  21 -10.309 -16.000  -8.743
  173   2HH1  ARG  21          2HH1      ARG  21  -9.844 -16.124 -10.405
  174   1HH2  ARG  21          1HH2      ARG  21  -8.204 -19.148 -10.028
  175   2HH2  ARG  21          2HH2      ARG  21  -8.662 -17.892 -11.129
  176    H    LYS  22           H        LYS  22 -12.675 -17.304  -1.967
  177    HA   LYS  22           HA       LYS  22 -13.483 -20.156  -1.539
  178   1HB   LYS  22          1HB       LYS  22 -12.836 -17.960   0.470
  179   2HB   LYS  22          2HB       LYS  22 -12.980 -19.682   0.804
  180   1HG   LYS  22          1HG       LYS  22 -11.080 -19.461  -1.270
  181   2HG   LYS  22          2HG       LYS  22 -10.668 -18.213  -0.094
  182   1HD   LYS  22          1HD       LYS  22 -10.323 -19.758   1.623
  183   2HD   LYS  22          2HD       LYS  22 -11.348 -20.976   0.865
  184   1HE   LYS  22          1HE       LYS  22  -9.238 -20.439  -0.961
  185   2HE   LYS  22          2HE       LYS  22  -8.500 -20.671   0.634
  186   1HZ   LYS  22          1HZ       LYS  22  -8.885 -22.801  -0.471
  187   2HZ   LYS  22          2HZ       LYS  22 -10.539 -22.445  -0.619
  188   3HZ   LYS  22          3HZ       LYS  22  -9.851 -22.664   0.918
  189    H    SER  23           H        SER  23 -16.669 -19.020  -0.023
  190    HA   SER  23           HA       SER  23 -14.364 -20.908   0.198
  191   1HB   SER  23          1HB       SER  23 -16.533 -21.857  -0.410
  192   2HB   SER  23          2HB       SER  23 -16.160 -22.342   1.244
  193    HG   SER  23           HG       SER  23 -17.824 -21.274   1.903
  194    H    PHE  24           H        PHE  24 -16.183 -18.475   1.912
  195    HA   PHE  24           HA       PHE  24 -14.544 -19.047   4.360
  196   1HB   PHE  24          1HB       PHE  24 -15.600 -16.518   3.059
  197   2HB   PHE  24          2HB       PHE  24 -14.927 -16.526   4.688
  198    HD1  PHE  24           HD1      PHE  24 -14.021 -15.427   1.707
  199    HD2  PHE  24           HD2      PHE  24 -12.710 -18.439   4.477
  200    HE1  PHE  24           HE1      PHE  24 -11.731 -15.298   0.765
  201    HE2  PHE  24           HE2      PHE  24 -10.422 -18.310   3.533
  202    HZ   PHE  24           HZ       PHE  24  -9.932 -16.739   1.678
  203    H    GLU  25           H        GLU  25 -15.592 -18.451   6.425
  204    HA   GLU  25           HA       GLU  25 -18.515 -19.033   6.372
  205   1HB   GLU  25          1HB       GLU  25 -16.211 -19.362   8.241
  206   2HB   GLU  25          2HB       GLU  25 -17.792 -19.109   8.974
  207   1HG   GLU  25          1HG       GLU  25 -18.414 -21.210   8.478
  208   2HG   GLU  25          2HG       GLU  25 -17.977 -20.997   6.786
  209    H    LYS  26           H        LYS  26 -19.775 -17.791   8.143
  210    HA   LYS  26           HA       LYS  26 -19.512 -14.942   7.667
  211   1HB   LYS  26          1HB       LYS  26 -21.610 -16.330   8.079
  212   2HB   LYS  26          2HB       LYS  26 -21.133 -16.400   9.773
  213   1HG   LYS  26          1HG       LYS  26 -21.478 -14.124  10.108
  214   2HG   LYS  26          2HG       LYS  26 -21.251 -13.737   8.405
  215   1HD   LYS  26          1HD       LYS  26 -23.428 -14.217   7.867
  216   2HD   LYS  26          2HD       LYS  26 -23.539 -15.520   9.049
  217   1HE   LYS  26          1HE       LYS  26 -23.316 -12.661   9.984
  218   2HE   LYS  26          2HE       LYS  26 -24.889 -13.329   9.507
  219   1HZ   LYS  26          1HZ       LYS  26 -24.700 -15.050  11.073
  220   2HZ   LYS  26          2HZ       LYS  26 -24.189 -13.667  11.916
  221   3HZ   LYS  26          3HZ       LYS  26 -23.044 -14.773  11.324
  222    H    GLY  27           H        GLY  27 -17.373 -14.427   8.509
  223   1HA   GLY  27          1HA       GLY  27 -16.713 -13.097  10.568
  224   2HA   GLY  27          2HA       GLY  27 -17.218 -14.509  11.497
  225    H    GLU  28           H        GLU  28 -15.218 -14.106   8.550
  226    HA   GLU  28           HA       GLU  28 -13.047 -15.611   9.973
  227   1HB   GLU  28          1HB       GLU  28 -14.525 -16.077   7.462
  228   2HB   GLU  28          2HB       GLU  28 -12.774 -16.190   7.282
  229   1HG   GLU  28          1HG       GLU  28 -12.851 -17.672   9.402
  230   2HG   GLU  28          2HG       GLU  28 -14.582 -17.793   9.091
  231    H    LEU  29           H        LEU  29 -11.015 -14.686   9.793
  232    HA   LEU  29           HA       LEU  29 -10.725 -12.014   8.768
  233   1HB   LEU  29          1HB       LEU  29  -9.453 -13.291  10.621
  234   2HB   LEU  29          2HB       LEU  29  -8.529 -14.035   9.319
  235    HG   LEU  29           HG       LEU  29  -7.417 -12.011  10.303
  236   1HD1  LEU  29          1HD1      LEU  29  -6.653 -11.199   8.229
  237   2HD1  LEU  29          2HD1      LEU  29  -8.226 -11.418   7.462
  238   3HD1  LEU  29          3HD1      LEU  29  -7.230 -12.821   7.847
  239   1HD2  LEU  29          1HD2      LEU  29  -9.106 -10.099   8.885
  240   2HD2  LEU  29          2HD2      LEU  29  -8.496 -10.042  10.538
  241   3HD2  LEU  29          3HD2      LEU  29  -9.978 -10.924  10.177
  242    H    VAL  30           H        VAL  30 -10.630 -11.509   6.630
  243    HA   VAL  30           HA       VAL  30  -9.630 -13.539   4.688
  244    HB   VAL  30           HB       VAL  30 -11.006 -10.855   4.283
  245   1HG1  VAL  30          1HG1      VAL  30 -10.430 -13.206   2.459
  246   2HG1  VAL  30          2HG1      VAL  30  -9.853 -11.549   2.282
  247   3HG1  VAL  30          3HG1      VAL  30 -11.562 -11.916   2.051
  248   1HG2  VAL  30          1HG2      VAL  30 -12.050 -13.648   4.699
  249   2HG2  VAL  30          2HG2      VAL  30 -12.961 -12.498   3.720
  250   3HG2  VAL  30          3HG2      VAL  30 -12.616 -12.137   5.412
  251    H    GLU  31           H        GLU  31  -7.376 -13.217   5.289
  252    HA   GLU  31           HA       GLU  31  -5.242 -12.259   4.996
  253   1HB   GLU  31          1HB       GLU  31  -6.761 -10.574   2.970
  254   2HB   GLU  31          2HB       GLU  31  -5.024 -10.864   2.992
  255   1HG   GLU  31          1HG       GLU  31  -6.266 -13.410   3.086
  256   2HG   GLU  31          2HG       GLU  31  -7.102 -12.488   1.836
  257    H    GLU  32           H        GLU  32  -4.223  -9.840   4.838
  258    HA   GLU  32           HA       GLU  32  -5.805  -7.883   6.385
  259   1HB   GLU  32          1HB       GLU  32  -4.918  -9.424   8.070
  260   2HB   GLU  32          2HB       GLU  32  -3.298  -9.287   7.383
  261   1HG   GLU  32          1HG       GLU  32  -2.973  -7.155   8.225
  262   2HG   GLU  32          2HG       GLU  32  -4.694  -6.780   8.207
  263    H    CYS  33           H        CYS  33  -4.626  -5.789   6.533
  264    HA   CYS  33           HA       CYS  33  -2.207  -5.541   4.825
  265   1HB   CYS  33          1HB       CYS  33  -3.407  -3.875   3.410
  266   2HB   CYS  33          2HB       CYS  33  -4.168  -5.462   3.328
  267    HG   CYS  33           HG       CYS  33  -6.132  -3.899   3.822
  268    H    LEU  34           H        LEU  34  -1.250  -3.355   4.981
  269    HA   LEU  34           HA       LEU  34  -1.799  -2.095   7.624
  270   1HB   LEU  34          1HB       LEU  34   0.432  -1.687   5.594
  271   2HB   LEU  34          2HB       LEU  34   0.427  -1.116   7.262
  272    HG   LEU  34           HG       LEU  34   0.177  -4.044   6.533
  273   1HD1  LEU  34          1HD1      LEU  34   2.703  -2.706   7.498
  274   2HD1  LEU  34          2HD1      LEU  34   2.351  -2.856   5.777
  275   3HD1  LEU  34          3HD1      LEU  34   2.514  -4.303   6.773
  276   1HD2  LEU  34          1HD2      LEU  34   0.786  -4.382   8.871
  277   2HD2  LEU  34          2HD2      LEU  34  -0.599  -3.293   8.787
  278   3HD2  LEU  34          3HD2      LEU  34   1.013  -2.646   9.092
  279    H    CYS  35           H        CYS  35  -1.399   0.450   7.498
  280    HA   CYS  35           HA       CYS  35  -2.525   1.616   5.002
  281   1HB   CYS  35          1HB       CYS  35  -3.751   1.679   7.775
  282   2HB   CYS  35          2HB       CYS  35  -4.238   2.788   6.497
  283    HG   CYS  35           HG       CYS  35  -4.439  -0.286   5.993
  284    H    ILE  36           H        ILE  36  -2.528   4.033   5.115
  285    HA   ILE  36           HA       ILE  36  -0.203   5.030   6.713
  286    HB   ILE  36           HB       ILE  36  -1.666   6.241   4.333
  287   1HG1  ILE  36          1HG1      ILE  36   0.978   4.773   4.262
  288   2HG1  ILE  36          2HG1      ILE  36  -0.555   3.967   3.927
  289   1HG2  ILE  36          1HG2      ILE  36   1.175   6.792   5.146
  290   2HG2  ILE  36          2HG2      ILE  36  -0.147   7.618   5.971
  291   3HG2  ILE  36          3HG2      ILE  36   0.065   7.811   4.230
  292   1HD1  ILE  36          1HD1      ILE  36   0.925   5.174   2.007
  293   2HD1  ILE  36          2HD1      ILE  36  -0.086   6.530   2.500
  294   3HD1  ILE  36          3HD1      ILE  36  -0.830   5.040   1.920
  295    H    VAL  37           H        VAL  37  -0.504   7.082   7.863
  296    HA   VAL  37           HA       VAL  37  -3.375   7.850   8.263
  297    HB   VAL  37           HB       VAL  37  -1.194   7.571  10.364
  298   1HG1  VAL  37          1HG1      VAL  37  -2.751   9.206  11.116
  299   2HG1  VAL  37          2HG1      VAL  37  -3.267   7.703  11.884
  300   3HG1  VAL  37          3HG1      VAL  37  -4.123   8.308  10.467
  301   1HG2  VAL  37          1HG2      VAL  37  -3.639   5.828  10.010
  302   2HG2  VAL  37          2HG2      VAL  37  -2.234   5.535  11.034
  303   3HG2  VAL  37          3HG2      VAL  37  -2.085   5.422   9.283
  304    H    ARG  38           H        ARG  38  -3.595   9.955   7.667
  305    HA   ARG  38           HA       ARG  38  -1.434  11.889   8.404
  306   1HB   ARG  38          1HB       ARG  38  -2.723  11.291   5.769
  307   2HB   ARG  38          2HB       ARG  38  -2.107  12.906   6.075
  308   1HG   ARG  38          1HG       ARG  38  -0.469  10.385   6.441
  309   2HG   ARG  38          2HG       ARG  38  -0.464  11.337   4.957
  310   1HD   ARG  38          1HD       ARG  38   0.253  13.330   6.266
  311   2HD   ARG  38          2HD       ARG  38   0.313  12.322   7.717
  312    HE   ARG  38           HE       ARG  38   1.789  11.012   5.658
  313   1HH1  ARG  38          1HH1      ARG  38   1.939  13.846   7.674
  314   2HH1  ARG  38          2HH1      ARG  38   3.668  13.900   7.658
  315   1HH2  ARG  38          1HH2      ARG  38   4.032  11.104   5.652
  316   2HH2  ARG  38          2HH2      ARG  38   4.846  12.360   6.522
  317    H    HIS  39           H        HIS  39  -2.235  13.971   8.945
  318    HA   HIS  39           HA       HIS  39  -5.028  14.098   9.758
  319   1HB   HIS  39          1HB       HIS  39  -2.803  15.076  10.776
  320   2HB   HIS  39          2HB       HIS  39  -3.113  16.422   9.678
  321    HD1  HIS  39           HD1      HIS  39  -5.108  17.957  10.197
  322    HD2  HIS  39           HD2      HIS  39  -4.770  14.760  12.851
  323    HE1  HIS  39           HE1      HIS  39  -6.710  18.433  12.101
  324    H    ASN  40           H        ASN  40  -5.381  13.778   7.126
  325    HA   ASN  40           HA       ASN  40  -6.270  14.763   5.167
  326   1HB   ASN  40          1HB       ASN  40  -7.570  15.536   7.421
  327   2HB   ASN  40          2HB       ASN  40  -7.089  17.116   6.803
  328   1HD2  ASN  40          1HD2      ASN  40  -9.697  15.175   6.754
  329   2HD2  ASN  40          2HD2      ASN  40 -10.289  15.473   5.192
  330    H    ASP  41           H        ASP  41  -6.585  17.819   5.055
  331    HA   ASP  41           HA       ASP  41  -5.371  19.690   4.308
  332   1HB   ASP  41          1HB       ASP  41  -4.032  18.827   6.440
  333   2HB   ASP  41          2HB       ASP  41  -2.832  18.386   5.230
  334    H    ASP  42           H        ASP  42  -2.488  19.336   3.365
  335    HA   ASP  42           HA       ASP  42  -2.858  18.950   0.625
  336   1HB   ASP  42          1HB       ASP  42  -0.579  18.549   2.559
  337   2HB   ASP  42          2HB       ASP  42  -0.343  18.172   0.853
  338    H    TRP  43           H        TRP  43  -2.301  16.498   3.122
  339    HA   TRP  43           HA       TRP  43  -1.959  14.234   1.386
  340   1HB   TRP  43          1HB       TRP  43  -1.334  14.046   3.674
  341   2HB   TRP  43          2HB       TRP  43  -2.845  14.755   4.233
  342    HD1  TRP  43           HD1      TRP  43  -4.869  13.189   4.626
  343    HE1  TRP  43           HE1      TRP  43  -5.189  10.632   4.558
  344    HE3  TRP  43           HE3      TRP  43  -0.501  11.813   2.375
  345    HZ2  TRP  43           HZ2      TRP  43  -3.777   8.317   3.676
  346    HZ3  TRP  43           HZ3      TRP  43  -0.015   9.425   1.927
  347    HH2  TRP  43           HH2      TRP  43  -1.650   7.674   2.572
  348    H    GLY  44           H        GLY  44  -4.794  15.908   2.694
  349   1HA   GLY  44          1HA       GLY  44  -6.756  13.960   1.979
  350   2HA   GLY  44          2HA       GLY  44  -7.073  15.678   2.197
  351    H    THR  45           H        THR  45  -5.947  17.008   0.262
  352    HA   THR  45           HA       THR  45  -7.422  16.286  -2.105
  353    HB   THR  45           HB       THR  45  -5.106  18.201  -1.568
  354    HG1  THR  45           HG1      THR  45  -6.742  19.690  -1.336
  355   1HG2  THR  45          1HG2      THR  45  -6.463  19.296  -3.652
  356   2HG2  THR  45          2HG2      THR  45  -6.642  17.582  -4.027
  357   3HG2  THR  45          3HG2      THR  45  -5.033  18.283  -3.849
  358    H    ALA  46           H        ALA  46  -3.913  16.060  -1.351
  359    HA   ALA  46           HA       ALA  46  -3.057  15.031  -3.869
  360   1HB   ALA  46          1HB       ALA  46  -1.614  15.803  -1.975
  361   2HB   ALA  46          2HB       ALA  46  -1.155  14.192  -2.531
  362   3HB   ALA  46          3HB       ALA  46  -2.099  14.379  -1.053
  363    H    LEU  47           H        LEU  47  -3.720  13.170  -0.883
  364    HA   LEU  47           HA       LEU  47  -4.209  10.743  -2.516
  365   1HB   LEU  47          1HB       LEU  47  -3.729  11.417   0.385
  366   2HB   LEU  47          2HB       LEU  47  -4.392   9.842  -0.050
  367    HG   LEU  47           HG       LEU  47  -1.939   9.726   0.100
  368   1HD1  LEU  47          1HD1      LEU  47  -1.739   8.396  -1.750
  369   2HD1  LEU  47          2HD1      LEU  47  -2.315   9.655  -2.842
  370   3HD1  LEU  47          3HD1      LEU  47  -3.467   8.712  -1.898
  371   1HD2  LEU  47          1HD2      LEU  47  -0.513  11.196  -0.950
  372   2HD2  LEU  47          2HD2      LEU  47  -1.896  12.271  -0.742
  373   3HD2  LEU  47          3HD2      LEU  47  -1.623  11.475  -2.292
  374    H    GLU  48           H        GLU  48  -6.200  12.919  -2.614
  375    HA   GLU  48           HA       GLU  48  -8.430  12.327  -0.881
  376   1HB   GLU  48          1HB       GLU  48  -7.667  14.202  -2.842
  377   2HB   GLU  48          2HB       GLU  48  -9.120  13.453  -3.472
  378   1HG   GLU  48          1HG       GLU  48  -9.669  13.852  -0.786
  379   2HG   GLU  48          2HG       GLU  48  -8.844  15.318  -1.275
  380    H    ASP  49           H        ASP  49  -7.896   9.844  -1.443
  381    HA   ASP  49           HA       ASP  49 -10.160   8.731  -2.770
  382   1HB   ASP  49          1HB       ASP  49  -8.249   9.733  -4.535
  383   2HB   ASP  49          2HB       ASP  49  -7.843   8.020  -4.443
  384    H    TYR  50           H        TYR  50 -10.214   6.467  -2.332
  385    HA   TYR  50           HA       TYR  50  -9.551   4.461  -1.250
  386   1HB   TYR  50          1HB       TYR  50  -6.708   5.316  -1.849
  387   2HB   TYR  50          2HB       TYR  50  -7.382   3.691  -1.859
  388    HD1  TYR  50           HD1      TYR  50  -6.283   6.313  -3.898
  389    HD2  TYR  50           HD2      TYR  50  -9.422   3.389  -3.607
  390    HE1  TYR  50           HE1      TYR  50  -6.689   6.503  -6.337
  391    HE2  TYR  50           HE2      TYR  50  -9.827   3.583  -6.046
  392    HH   TYR  50           HH       TYR  50  -8.291   4.320  -8.111
  393    H    LEU  51           H        LEU  51  -9.582   7.138   0.184
  394    HA   LEU  51           HA       LEU  51  -7.515   6.644   2.282
  395   1HB   LEU  51          1HB       LEU  51  -8.331   8.875   0.816
  396   2HB   LEU  51          2HB       LEU  51  -9.100   9.118   2.383
  397    HG   LEU  51           HG       LEU  51  -6.951   8.907   3.518
  398   1HD1  LEU  51          1HD1      LEU  51  -6.159   7.817   0.903
  399   2HD1  LEU  51          2HD1      LEU  51  -5.457   7.534   2.496
  400   3HD1  LEU  51          3HD1      LEU  51  -4.997   8.963   1.572
  401   1HD2  LEU  51          1HD2      LEU  51  -5.844  10.708   1.607
  402   2HD2  LEU  51          2HD2      LEU  51  -6.684  11.100   3.109
  403   3HD2  LEU  51          3HD2      LEU  51  -7.594  10.939   1.606
  404    H    PHE  52           H        PHE  52  -8.314   5.468   3.969
  405    HA   PHE  52           HA       PHE  52 -11.164   5.662   4.757
  406   1HB   PHE  52          1HB       PHE  52  -8.755   4.016   5.593
  407   2HB   PHE  52          2HB       PHE  52 -10.305   3.898   6.426
  408    HD1  PHE  52           HD1      PHE  52  -8.426   3.063   3.412
  409    HD2  PHE  52           HD2      PHE  52 -12.333   3.120   5.197
  410    HE1  PHE  52           HE1      PHE  52  -9.251   1.518   1.656
  411    HE2  PHE  52           HE2      PHE  52 -13.158   1.576   3.441
  412    HZ   PHE  52           HZ       PHE  52 -11.617   0.775   1.670
  413    H    SER  53           H        SER  53 -11.567   7.522   5.956
  414    HA   SER  53           HA       SER  53  -9.487   8.391   7.913
  415   1HB   SER  53          1HB       SER  53 -10.305   9.906   6.074
  416   2HB   SER  53          2HB       SER  53 -11.913   9.840   6.793
  417    HG   SER  53           HG       SER  53 -10.856  11.640   7.574
  418    H    ARG  54           H        ARG  54  -9.991   8.676  10.077
  419    HA   ARG  54           HA       ARG  54 -12.718   7.785  10.950
  420   1HB   ARG  54          1HB       ARG  54 -11.499   6.939  12.967
  421   2HB   ARG  54          2HB       ARG  54 -10.919   6.191  11.480
  422   1HG   ARG  54          1HG       ARG  54  -8.905   7.338  11.527
  423   2HG   ARG  54          2HG       ARG  54  -9.581   8.698  12.425
  424   1HD   ARG  54          1HD       ARG  54  -9.902   6.653  14.231
  425   2HD   ARG  54          2HD       ARG  54  -8.383   6.195  13.439
  426    HE   ARG  54           HE       ARG  54  -8.061   8.897  13.836
  427   1HH1  ARG  54          1HH1      ARG  54  -9.014   6.273  15.918
  428   2HH1  ARG  54          2HH1      ARG  54  -8.366   7.018  17.336
  429   1HH2  ARG  54          1HH2      ARG  54  -7.228   9.842  15.692
  430   2HH2  ARG  54          2HH2      ARG  54  -7.362   9.024  17.212
  431    H    LYS  55           H        LYS  55 -12.652   8.572  13.568
  432    HA   LYS  55           HA       LYS  55 -12.885  11.454  13.365
  433   1HB   LYS  55          1HB       LYS  55 -14.106   9.528  14.786
  434   2HB   LYS  55          2HB       LYS  55 -12.889   9.981  15.979
  435   1HG   LYS  55          1HG       LYS  55 -14.778  11.372  16.428
  436   2HG   LYS  55          2HG       LYS  55 -13.618  12.403  15.591
  437   1HD   LYS  55          1HD       LYS  55 -15.397  12.888  14.247
  438   2HD   LYS  55          2HD       LYS  55 -14.985  11.356  13.476
  439   1HE   LYS  55          1HE       LYS  55 -16.546  10.627  15.695
  440   2HE   LYS  55          2HE       LYS  55 -17.363  12.042  15.006
  441   1HZ   LYS  55          1HZ       LYS  55 -17.931   9.860  13.927
  442   2HZ   LYS  55          2HZ       LYS  55 -16.330   9.791  13.365
  443   3HZ   LYS  55          3HZ       LYS  55 -17.352  11.051  12.864
  444    H    ASN  56           H        ASN  56 -10.540  11.728  12.781
  445    HA   ASN  56           HA       ASN  56  -8.447  11.285  14.721
  446   1HB   ASN  56          1HB       ASN  56  -8.606  14.110  14.733
  447   2HB   ASN  56          2HB       ASN  56 -10.247  13.539  15.028
  448   1HD2  ASN  56          1HD2      ASN  56  -6.868  12.940  16.146
  449   2HD2  ASN  56          2HD2      ASN  56  -7.304  12.587  17.748
  450    H    MET  57           H        MET  57  -8.952  11.067  11.818
  451    HA   MET  57           HA       MET  57  -7.699  13.174  10.337
  452   1HB   MET  57          1HB       MET  57  -5.425  12.158  10.103
  453   2HB   MET  57          2HB       MET  57  -5.759  12.643  11.761
  454   1HG   MET  57          1HG       MET  57  -6.588   9.903  11.071
  455   2HG   MET  57          2HG       MET  57  -4.855  10.174  11.044
  456   1HE   MET  57          1HE       MET  57  -3.597  11.034  12.429
  457   2HE   MET  57          2HE       MET  57  -3.508  10.179  13.970
  458   3HE   MET  57          3HE       MET  57  -3.967  11.882  13.931
  459    H    SER  58           H        SER  58  -6.510  12.001   8.270
  460    HA   SER  58           HA       SER  58  -8.458   9.913   7.368
  461   1HB   SER  58          1HB       SER  58  -8.260  10.910   5.213
  462   2HB   SER  58          2HB       SER  58  -8.278  12.278   6.325
  463    HG   SER  58           HG       SER  58  -6.573  12.250   4.681
  464    H    ALA  59           H        ALA  59  -7.632   7.942   6.706
  465    HA   ALA  59           HA       ALA  59  -4.646   7.698   6.562
  466   1HB   ALA  59          1HB       ALA  59  -5.814   5.177   7.017
  467   2HB   ALA  59          2HB       ALA  59  -6.773   6.299   7.983
  468   3HB   ALA  59          3HB       ALA  59  -5.029   6.196   8.224
  469    H    MET  60           H        MET  60  -4.042   5.640   5.200
  470    HA   MET  60           HA       MET  60  -5.746   5.620   2.728
  471   1HB   MET  60          1HB       MET  60  -3.177   6.550   3.105
  472   2HB   MET  60          2HB       MET  60  -2.884   4.908   2.533
  473   1HG   MET  60          1HG       MET  60  -4.997   6.151   0.991
  474   2HG   MET  60          2HG       MET  60  -3.551   7.159   0.968
  475   1HE   MET  60          1HE       MET  60  -3.581   5.575  -2.347
  476   2HE   MET  60          2HE       MET  60  -2.254   6.529  -1.685
  477   3HE   MET  60          3HE       MET  60  -3.921   6.938  -1.279
  478    H    ALA  61           H        ALA  61  -5.694   3.585   1.499
  479    HA   ALA  61           HA       ALA  61  -5.610   1.220   3.271
  480   1HB   ALA  61          1HB       ALA  61  -6.179   0.673   0.497
  481   2HB   ALA  61          2HB       ALA  61  -7.030   2.141   0.978
  482   3HB   ALA  61          3HB       ALA  61  -7.290   0.639   1.866
  483    H    LEU  62           H        LEU  62  -3.431   0.673   3.581
  484    HA   LEU  62           HA       LEU  62  -1.315  -0.218   3.055
  485   1HB   LEU  62          1HB       LEU  62  -0.958   0.853   0.435
  486   2HB   LEU  62          2HB       LEU  62  -1.880   2.038   1.361
  487    HG   LEU  62           HG       LEU  62  -0.189   1.896   3.178
  488   1HD1  LEU  62          1HD1      LEU  62   2.030   0.766   1.986
  489   2HD1  LEU  62          2HD1      LEU  62   0.733  -0.316   1.477
  490   3HD1  LEU  62          3HD1      LEU  62   1.017  -0.026   3.193
  491   1HD2  LEU  62          1HD2      LEU  62   1.377   3.295   2.125
  492   2HD2  LEU  62          2HD2      LEU  62  -0.044   3.455   1.092
  493   3HD2  LEU  62          3HD2      LEU  62   1.288   2.408   0.605
  494    H    GLY  63           H        GLY  63  -2.387  -2.352   2.837
  495   1HA   GLY  63          1HA       GLY  63  -1.626  -3.692   0.440
  496   2HA   GLY  63          2HA       GLY  63  -2.640  -4.388   1.701
  497    H    PHE  64           H        PHE  64  -4.440  -5.180   0.708
  498    HA   PHE  64           HA       PHE  64  -5.551  -3.817  -1.669
  499   1HB   PHE  64          1HB       PHE  64  -6.360  -6.324  -0.149
  500   2HB   PHE  64          2HB       PHE  64  -6.945  -5.859  -1.746
  501    HD1  PHE  64           HD1      PHE  64  -4.445  -7.661   0.038
  502    HD2  PHE  64           HD2      PHE  64  -5.113  -5.423  -3.568
  503    HE1  PHE  64           HE1      PHE  64  -2.472  -8.746  -1.002
  504    HE2  PHE  64           HE2      PHE  64  -3.141  -6.508  -4.607
  505    HZ   PHE  64           HZ       PHE  64  -1.820  -8.169  -3.324
  506    H    GLY  65           H        GLY  65  -5.820  -2.200   0.618
  507   1HA   GLY  65          1HA       GLY  65  -8.577  -2.594   1.619
  508   2HA   GLY  65          2HA       GLY  65  -7.446  -1.359   2.173
  509    H    ALA  66           H        ALA  66  -6.874  -0.814  -0.816
  510    HA   ALA  66           HA       ALA  66  -9.011   1.208  -1.106
  511   1HB   ALA  66          1HB       ALA  66  -6.690   1.867  -1.372
  512   2HB   ALA  66          2HB       ALA  66  -7.454   1.948  -2.960
  513   3HB   ALA  66          3HB       ALA  66  -6.415   0.583  -2.549
  514    H    ILE  67           H        ILE  67  -7.640  -1.524  -2.975
  515    HA   ILE  67           HA       ILE  67  -9.128  -1.356  -5.332
  516    HB   ILE  67           HB       ILE  67  -8.893  -3.871  -5.318
  517   1HG1  ILE  67          1HG1      ILE  67  -7.300  -4.227  -3.026
  518   2HG1  ILE  67          2HG1      ILE  67  -8.730  -3.360  -2.470
  519   1HG2  ILE  67          1HG2      ILE  67  -6.982  -2.002  -5.619
  520   2HG2  ILE  67          2HG2      ILE  67  -6.636  -3.729  -5.718
  521   3HG2  ILE  67          3HG2      ILE  67  -6.320  -2.849  -4.221
  522   1HD1  ILE  67          1HD1      ILE  67 -10.152  -5.036  -3.659
  523   2HD1  ILE  67          2HD1      ILE  67  -9.181  -5.744  -2.368
  524   3HD1  ILE  67          3HD1      ILE  67  -8.691  -5.941  -4.051
  525    H    PHE  68           H        PHE  68 -10.237  -2.218  -2.129
  526    HA   PHE  68           HA       PHE  68 -12.596  -3.629  -2.567
  527   1HB   PHE  68          1HB       PHE  68 -11.704  -1.464  -0.670
  528   2HB   PHE  68          2HB       PHE  68 -13.336  -2.109  -0.543
  529    HD1  PHE  68           HD1      PHE  68 -10.434  -2.374   1.071
  530    HD2  PHE  68           HD2      PHE  68 -13.039  -4.931  -1.192
  531    HE1  PHE  68           HE1      PHE  68  -9.540  -4.347   2.275
  532    HE2  PHE  68           HE2      PHE  68 -12.145  -6.906   0.014
  533    HZ   PHE  68           HZ       PHE  68 -10.394  -6.613   1.747
  534    H    ASN  69           H        ASN  69 -14.723  -3.060  -3.175
  535    HA   ASN  69           HA       ASN  69 -15.043  -0.314  -4.345
  536   1HB   ASN  69          1HB       ASN  69 -16.101  -3.042  -5.162
  537   2HB   ASN  69          2HB       ASN  69 -16.622  -1.534  -5.914
  538   1HD2  ASN  69          1HD2      ASN  69 -14.398  -4.034  -6.246
  539   2HD2  ASN  69          2HD2      ASN  69 -13.229  -3.227  -7.181
  540    H    HIS  70           H        HIS  70 -17.517   0.194  -4.558
  541    HA   HIS  70           HA       HIS  70 -18.767  -0.355  -1.904
  542   1HB   HIS  70          1HB       HIS  70 -18.261   1.959  -3.213
  543   2HB   HIS  70          2HB       HIS  70 -19.867   1.617  -3.858
  544    HD1  HIS  70           HD1      HIS  70 -19.301   3.970  -1.842
  545    HD2  HIS  70           HD2      HIS  70 -20.741   0.208  -0.771
  546    HE1  HIS  70           HE1      HIS  70 -20.489   4.263   0.376
  547    H    SER  71           H        SER  71 -20.100  -2.142  -2.040
  548    HA   SER  71           HA       SER  71 -21.945  -2.303  -4.403
  549   1HB   SER  71          1HB       SER  71 -19.953  -4.000  -3.948
  550   2HB   SER  71          2HB       SER  71 -21.083  -4.687  -2.781
  551    HG   SER  71           HG       SER  71 -21.532  -4.269  -5.549
  552    H    LYS  72           H        LYS  72 -24.116  -2.855  -3.933
  553    HA   LYS  72           HA       LYS  72 -25.227  -2.055  -1.444
  554   1HB   LYS  72          1HB       LYS  72 -26.244  -3.928  -3.614
  555   2HB   LYS  72          2HB       LYS  72 -27.260  -3.190  -2.377
  556   1HG   LYS  72          1HG       LYS  72 -25.590  -1.679  -4.411
  557   2HG   LYS  72          2HG       LYS  72 -27.338  -1.898  -4.485
  558   1HD   LYS  72          1HD       LYS  72 -27.269  -0.873  -2.056
  559   2HD   LYS  72          2HD       LYS  72 -25.714  -0.233  -2.586
  560   1HE   LYS  72          1HE       LYS  72 -26.850   1.443  -3.609
  561   2HE   LYS  72          2HE       LYS  72 -27.518   0.235  -4.722
  562   1HZ   LYS  72          1HZ       LYS  72 -29.247  -0.254  -3.120
  563   2HZ   LYS  72          2HZ       LYS  72 -29.268   1.406  -3.477
  564   3HZ   LYS  72          3HZ       LYS  72 -28.593   0.860  -2.017
  565    H    ASP  73           H        ASP  73 -25.303  -3.120   0.498
  566    HA   ASP  73           HA       ASP  73 -25.067  -4.860   2.081
  567   1HB   ASP  73          1HB       ASP  73 -26.502  -5.964  -0.314
  568   2HB   ASP  73          2HB       ASP  73 -26.037  -7.085   0.965
  569    HA   PRO  74           HA       PRO  74 -21.155  -6.174  -0.155
  570   1HB   PRO  74          1HB       PRO  74 -19.567  -5.543   2.064
  571   2HB   PRO  74          2HB       PRO  74 -19.814  -4.495   0.658
  572   1HG   PRO  74          1HG       PRO  74 -21.086  -4.410   3.338
  573   2HG   PRO  74          2HG       PRO  74 -20.655  -3.085   2.249
  574   1HD   PRO  74          1HD       PRO  74 -23.201  -3.952   2.583
  575   2HD   PRO  74          2HD       PRO  74 -22.611  -3.261   1.056
  576    H    ASN  75           H        ASN  75 -19.485  -7.792   0.847
  577    HA   ASN  75           HA       ASN  75 -20.947  -9.612   2.724
  578   1HB   ASN  75          1HB       ASN  75 -19.693 -11.404   1.472
  579   2HB   ASN  75          2HB       ASN  75 -20.777 -10.472   0.440
  580   1HD2  ASN  75          1HD2      ASN  75 -19.830  -9.630  -1.424
  581   2HD2  ASN  75          2HD2      ASN  75 -18.164  -9.398  -1.650
  582    H    ALA  76           H        ALA  76 -18.107  -7.732   2.247
  583    HA   ALA  76           HA       ALA  76 -16.804  -9.126   4.560
  584   1HB   ALA  76          1HB       ALA  76 -15.110  -7.707   2.579
  585   2HB   ALA  76          2HB       ALA  76 -15.939  -9.135   1.960
  586   3HB   ALA  76          3HB       ALA  76 -14.858  -9.274   3.347
  587    H    ARG  77           H        ARG  77 -15.908  -7.734   6.116
  588    HA   ARG  77           HA       ARG  77 -16.330  -4.797   5.646
  589   1HB   ARG  77          1HB       ARG  77 -17.939  -5.723   7.222
  590   2HB   ARG  77          2HB       ARG  77 -16.659  -6.539   8.116
  591   1HG   ARG  77          1HG       ARG  77 -15.760  -4.460   8.899
  592   2HG   ARG  77          2HG       ARG  77 -16.747  -3.532   7.769
  593   1HD   ARG  77          1HD       ARG  77 -18.736  -4.786   9.057
  594   2HD   ARG  77          2HD       ARG  77 -17.529  -4.815  10.356
  595    HE   ARG  77           HE       ARG  77 -18.835  -2.432   9.289
  596   1HH1  ARG  77          1HH1      ARG  77 -15.949  -3.702  10.766
  597   2HH1  ARG  77          2HH1      ARG  77 -15.487  -2.175  11.433
  598   1HH2  ARG  77          1HH2      ARG  77 -18.213  -0.461  10.165
  599   2HH2  ARG  77          2HH2      ARG  77 -16.757  -0.352  11.097
  600    H    HIS  78           H        HIS  78 -14.837  -3.440   7.070
  601    HA   HIS  78           HA       HIS  78 -12.140  -4.737   7.182
  602   1HB   HIS  78          1HB       HIS  78 -11.348  -2.393   6.877
  603   2HB   HIS  78          2HB       HIS  78 -12.456  -2.873   5.592
  604    HD1  HIS  78           HD1      HIS  78 -14.495  -1.445   5.270
  605    HD2  HIS  78           HD2      HIS  78 -12.705  -0.785   8.977
  606    HE1  HIS  78           HE1      HIS  78 -15.734   0.493   6.329
  607    H    GLU  79           H        GLU  79 -10.726  -4.070   8.964
  608    HA   GLU  79           HA       GLU  79 -12.177  -3.035  11.376
  609   1HB   GLU  79          1HB       GLU  79 -11.728  -5.623  11.078
  610   2HB   GLU  79          2HB       GLU  79 -10.075  -5.194  11.496
  611   1HG   GLU  79          1HG       GLU  79 -10.910  -4.089  13.561
  612   2HG   GLU  79          2HG       GLU  79 -12.544  -4.618  13.159
  613    H    LEU  80           H        LEU  80 -10.972  -1.504  12.519
  614    HA   LEU  80           HA       LEU  80  -8.137  -1.096  11.625
  615   1HB   LEU  80          1HB       LEU  80 -10.415   0.709  12.391
  616   2HB   LEU  80          2HB       LEU  80  -8.766   1.274  12.650
  617    HG   LEU  80           HG       LEU  80  -9.444   0.048  10.006
  618   1HD1  LEU  80          1HD1      LEU  80  -9.800   2.867   9.814
  619   2HD1  LEU  80          2HD1      LEU  80 -10.849   2.293  11.112
  620   3HD1  LEU  80          3HD1      LEU  80 -10.989   1.603   9.495
  621   1HD2  LEU  80          1HD2      LEU  80  -7.839   1.902   9.313
  622   2HD2  LEU  80          2HD2      LEU  80  -7.152   0.662  10.361
  623   3HD2  LEU  80          3HD2      LEU  80  -7.609   2.228  11.031
  624    H    THR  81           H        THR  81  -6.550  -0.830  13.231
  625    HA   THR  81           HA       THR  81  -6.800  -2.158  15.699
  626    HB   THR  81           HB       THR  81  -4.732  -0.707  16.235
  627    HG1  THR  81           HG1      THR  81  -4.008   0.481  14.399
  628   1HG2  THR  81          1HG2      THR  81  -3.534  -1.675  14.093
  629   2HG2  THR  81          2HG2      THR  81  -5.095  -2.449  13.816
  630   3HG2  THR  81          3HG2      THR  81  -4.199  -2.776  15.300
  631    H    ALA  82           H        ALA  82  -6.165   1.344  15.685
  632    HA   ALA  82           HA       ALA  82  -8.570   1.944  17.258
  633   1HB   ALA  82          1HB       ALA  82  -6.688   2.771  19.068
  634   2HB   ALA  82          2HB       ALA  82  -5.915   1.322  18.427
  635   3HB   ALA  82          3HB       ALA  82  -7.514   1.216  19.163
  636    H    GLY  83           H        GLY  83  -5.226   3.216  16.909
  637   1HA   GLY  83          1HA       GLY  83  -6.408   5.883  16.321
  638   2HA   GLY  83          2HA       GLY  83  -4.743   5.597  16.824
  639    H    LEU  84           H        LEU  84  -6.594   3.965  14.253
  640    HA   LEU  84           HA       LEU  84  -6.162   3.774  11.941
  641   1HB   LEU  84          1HB       LEU  84  -6.063   6.456  12.666
  642   2HB   LEU  84          2HB       LEU  84  -4.524   6.230  11.845
  643    HG   LEU  84           HG       LEU  84  -5.655   5.353   9.869
  644   1HD1  LEU  84          1HD1      LEU  84  -7.864   5.098  11.758
  645   2HD1  LEU  84          2HD1      LEU  84  -7.630   4.303  10.201
  646   3HD1  LEU  84          3HD1      LEU  84  -8.362   5.907  10.272
  647   1HD2  LEU  84          1HD2      LEU  84  -7.355   7.493   9.697
  648   2HD2  LEU  84          2HD2      LEU  84  -5.613   7.595   9.448
  649   3HD2  LEU  84          3HD2      LEU  84  -6.304   8.000  11.018
  650    H    LYS  85           H        LYS  85  -4.690   2.237  11.365
  651    HA   LYS  85           HA       LYS  85  -1.911   2.804  10.971
  652   1HB   LYS  85          1HB       LYS  85  -2.834   1.861  13.601
  653   2HB   LYS  85          2HB       LYS  85  -1.567   0.842  12.916
  654   1HG   LYS  85          1HG       LYS  85   0.009   2.442  13.194
  655   2HG   LYS  85          2HG       LYS  85  -1.055   3.696  12.554
  656   1HD   LYS  85          1HD       LYS  85  -2.266   3.210  14.937
  657   2HD   LYS  85          2HD       LYS  85  -0.592   2.854  15.364
  658   1HE   LYS  85          1HE       LYS  85  -0.827   5.291  13.750
  659   2HE   LYS  85          2HE       LYS  85  -1.714   5.396  15.283
  660   1HZ   LYS  85          1HZ       LYS  85   1.116   4.548  14.916
  661   2HZ   LYS  85          2HZ       LYS  85   0.276   4.473  16.390
  662   3HZ   LYS  85          3HZ       LYS  85   0.582   5.977  15.662
  663    H    ARG  86           H        ARG  86  -3.149  -0.239  12.309
  664    HA   ARG  86           HA       ARG  86  -2.800  -1.475   9.599
  665   1HB   ARG  86          1HB       ARG  86  -2.469  -2.491  12.442
  666   2HB   ARG  86          2HB       ARG  86  -2.446  -3.561  11.040
  667   1HG   ARG  86          1HG       ARG  86  -0.202  -3.123  11.080
  668   2HG   ARG  86          2HG       ARG  86  -0.684  -1.657  10.225
  669   1HD   ARG  86          1HD       ARG  86  -0.166  -0.330  12.008
  670   2HD   ARG  86          2HD       ARG  86  -0.915  -1.450  13.162
  671    HE   ARG  86           HE       ARG  86   1.468  -2.621  12.044
  672   1HH1  ARG  86          1HH1      ARG  86   0.377  -0.204  14.299
  673   2HH1  ARG  86          2HH1      ARG  86   1.801  -0.314  15.274
  674   1HH2  ARG  86          1HH2      ARG  86   3.306  -2.746  13.326
  675   2HH2  ARG  86          2HH2      ARG  86   3.448  -1.741  14.730
  676    H    MET  87           H        MET  87  -4.546  -2.678   8.789
  677    HA   MET  87           HA       MET  87  -6.875  -3.083  10.598
  678   1HB   MET  87          1HB       MET  87  -8.299  -2.290   8.630
  679   2HB   MET  87          2HB       MET  87  -7.359  -1.040   9.432
  680   1HG   MET  87          1HG       MET  87  -6.973  -0.618   7.157
  681   2HG   MET  87          2HG       MET  87  -5.557  -1.555   7.617
  682   1HE   MET  87          1HE       MET  87  -9.254  -2.939   5.308
  683   2HE   MET  87          2HE       MET  87  -9.016  -1.460   6.238
  684   3HE   MET  87          3HE       MET  87  -9.295  -2.989   7.071
  685    H    ARG  88           H        ARG  88  -8.530  -4.580   9.497
  686    HA   ARG  88           HA       ARG  88  -7.129  -6.580   7.747
  687   1HB   ARG  88          1HB       ARG  88  -9.040  -7.182  10.031
  688   2HB   ARG  88          2HB       ARG  88  -8.019  -8.327   9.166
  689   1HG   ARG  88          1HG       ARG  88  -6.587  -8.018  10.908
  690   2HG   ARG  88          2HG       ARG  88  -6.160  -6.527  10.068
  691   1HD   ARG  88          1HD       ARG  88  -7.249  -5.211  11.603
  692   2HD   ARG  88          2HD       ARG  88  -8.578  -6.373  11.798
  693    HE   ARG  88           HE       ARG  88  -6.160  -6.283  13.402
  694   1HH1  ARG  88          1HH1      ARG  88  -8.480  -8.425  11.936
  695   2HH1  ARG  88          2HH1      ARG  88  -8.212  -9.684  13.091
  696   1HH2  ARG  88          1HH2      ARG  88  -5.830  -7.932  14.889
  697   2HH2  ARG  88          2HH2      ARG  88  -6.724  -9.409  14.751
  698    H    ILE  89           H        ILE  89  -8.950  -8.265   7.030
  699    HA   ILE  89           HA       ILE  89 -11.436  -6.761   6.288
  700    HB   ILE  89           HB       ILE  89  -9.656  -8.558   4.596
  701   1HG1  ILE  89          1HG1      ILE  89 -10.345  -5.841   3.688
  702   2HG1  ILE  89          2HG1      ILE  89  -9.374  -5.882   5.159
  703   1HG2  ILE  89          1HG2      ILE  89 -12.124  -8.826   4.172
  704   2HG2  ILE  89          2HG2      ILE  89 -11.229  -8.193   2.790
  705   3HG2  ILE  89          3HG2      ILE  89 -12.191  -7.105   3.790
  706   1HD1  ILE  89          1HD1      ILE  89  -8.263  -5.982   2.715
  707   2HD1  ILE  89          2HD1      ILE  89  -8.558  -7.705   2.946
  708   3HD1  ILE  89          3HD1      ILE  89  -7.558  -6.820   4.098
  709    H    PHE  90           H        PHE  90 -12.977  -7.868   7.488
  710    HA   PHE  90           HA       PHE  90 -12.726 -10.819   7.800
  711   1HB   PHE  90          1HB       PHE  90 -14.344  -8.583   9.052
  712   2HB   PHE  90          2HB       PHE  90 -14.761 -10.270   9.345
  713    HD1  PHE  90           HD1      PHE  90 -13.451 -11.648  10.796
  714    HD2  PHE  90           HD2      PHE  90 -12.097  -7.714   9.725
  715    HE1  PHE  90           HE1      PHE  90 -11.695 -11.777  12.542
  716    HE2  PHE  90           HE2      PHE  90 -10.341  -7.843  11.472
  717    HZ   PHE  90           HZ       PHE  90 -10.140  -9.875  12.880
  718    H    THR  91           H        THR  91 -15.276 -11.662   7.986
  719    HA   THR  91           HA       THR  91 -16.601 -10.878   5.411
  720    HB   THR  91           HB       THR  91 -17.163 -13.371   5.306
  721    HG1  THR  91           HG1      THR  91 -15.801 -14.679   6.604
  722   1HG2  THR  91          1HG2      THR  91 -14.710 -11.984   4.726
  723   2HG2  THR  91          2HG2      THR  91 -15.453 -13.319   3.845
  724   3HG2  THR  91          3HG2      THR  91 -14.342 -13.650   5.173
  725    H    ILE  92           H        ILE  92 -18.284  -9.673   6.375
  726    HA   ILE  92           HA       ILE  92 -19.668 -10.314   8.775
  727    HB   ILE  92           HB       ILE  92 -21.353  -8.750   7.830
  728   1HG1  ILE  92          1HG1      ILE  92 -19.723  -8.927   5.283
  729   2HG1  ILE  92          2HG1      ILE  92 -21.258  -9.762   5.521
  730   1HG2  ILE  92          1HG2      ILE  92 -18.700  -7.714   6.879
  731   2HG2  ILE  92          2HG2      ILE  92 -18.910  -8.092   8.590
  732   3HG2  ILE  92          3HG2      ILE  92 -19.946  -6.891   7.818
  733   1HD1  ILE  92          1HD1      ILE  92 -22.484  -7.799   5.496
  734   2HD1  ILE  92          2HD1      ILE  92 -21.165  -7.339   4.418
  735   3HD1  ILE  92          3HD1      ILE  92 -21.141  -6.831   6.107
  736    H    LYS  93           H        LYS  93 -19.812 -11.819   5.660
  737    HA   LYS  93           HA       LYS  93 -22.004 -13.581   6.619
  738   1HB   LYS  93          1HB       LYS  93 -23.236 -13.181   4.498
  739   2HB   LYS  93          2HB       LYS  93 -23.032 -11.679   5.397
  740   1HG   LYS  93          1HG       LYS  93 -21.151 -11.041   4.002
  741   2HG   LYS  93          2HG       LYS  93 -21.185 -12.598   3.176
  742   1HD   LYS  93          1HD       LYS  93 -22.289 -10.846   1.822
  743   2HD   LYS  93          2HD       LYS  93 -23.434 -12.097   2.303
  744   1HE   LYS  93          1HE       LYS  93 -23.208  -9.897   4.254
  745   2HE   LYS  93          2HE       LYS  93 -23.846  -9.400   2.675
  746   1HZ   LYS  93          1HZ       LYS  93 -25.530 -10.991   2.773
  747   2HZ   LYS  93          2HZ       LYS  93 -25.483 -10.393   4.362
  748   3HZ   LYS  93          3HZ       LYS  93 -24.761 -11.886   3.995
  749    HA   PRO  94           HA       PRO  94 -19.647 -16.767   4.726
  750   1HB   PRO  94          1HB       PRO  94 -22.135 -17.773   3.432
  751   2HB   PRO  94          2HB       PRO  94 -21.040 -18.601   4.553
  752   1HG   PRO  94          1HG       PRO  94 -23.463 -17.727   5.302
  753   2HG   PRO  94          2HG       PRO  94 -22.082 -17.745   6.405
  754   1HD   PRO  94          1HD       PRO  94 -23.363 -15.452   5.012
  755   2HD   PRO  94          2HD       PRO  94 -22.575 -15.516   6.602
  756    H    ILE  95           H        ILE  95 -18.586 -17.063   2.736
  757    HA   ILE  95           HA       ILE  95 -19.783 -15.641   0.377
  758    HB   ILE  95           HB       ILE  95 -16.875 -15.875   1.239
  759   1HG1  ILE  95          1HG1      ILE  95 -18.805 -13.536   1.359
  760   2HG1  ILE  95          2HG1      ILE  95 -18.192 -14.435   2.747
  761   1HG2  ILE  95          1HG2      ILE  95 -18.057 -14.042  -0.854
  762   2HG2  ILE  95          2HG2      ILE  95 -17.464 -15.652  -1.257
  763   3HG2  ILE  95          3HG2      ILE  95 -16.359 -14.446  -0.592
  764   1HD1  ILE  95          1HD1      ILE  95 -16.802 -12.509   2.597
  765   2HD1  ILE  95          2HD1      ILE  95 -16.655 -12.657   0.846
  766   3HD1  ILE  95          3HD1      ILE  95 -15.845 -13.816   1.900
  767    H    ALA  96           H        ALA  96 -19.665 -16.726  -1.587
  768    HA   ALA  96           HA       ALA  96 -18.929 -19.581  -1.503
  769   1HB   ALA  96          1HB       ALA  96 -21.002 -19.068  -2.541
  770   2HB   ALA  96          2HB       ALA  96 -19.912 -19.325  -3.904
  771   3HB   ALA  96          3HB       ALA  96 -20.323 -17.685  -3.400
  772    H    ILE  97           H        ILE  97 -17.438 -20.532  -2.999
  773    HA   ILE  97           HA       ILE  97 -14.956 -19.362  -3.382
  774    HB   ILE  97           HB       ILE  97 -16.477 -21.382  -5.071
  775   1HG1  ILE  97          1HG1      ILE  97 -14.532 -22.640  -3.505
  776   2HG1  ILE  97          2HG1      ILE  97 -15.231 -21.421  -2.440
  777   1HG2  ILE  97          1HG2      ILE  97 -13.972 -20.176  -5.607
  778   2HG2  ILE  97          2HG2      ILE  97 -14.671 -21.588  -6.399
  779   3HG2  ILE  97          3HG2      ILE  97 -13.624 -21.793  -4.996
  780   1HD1  ILE  97          1HD1      ILE  97 -17.448 -22.478  -3.731
  781   2HD1  ILE  97          2HD1      ILE  97 -16.913 -22.899  -2.104
  782   3HD1  ILE  97          3HD1      ILE  97 -16.420 -23.889  -3.478
  783    H    GLY  98           H        GLY  98 -17.832 -18.817  -5.306
  784   1HA   GLY  98          1HA       GLY  98 -16.187 -17.229  -7.233
  785   2HA   GLY  98          2HA       GLY  98 -17.755 -17.933  -7.628
  786    H    GLU  99           H        GLU  99 -16.419 -15.813  -5.054
  787    HA   GLU  99           HA       GLU  99 -18.907 -14.150  -5.341
  788   1HB   GLU  99          1HB       GLU  99 -17.372 -15.306  -3.137
  789   2HB   GLU  99          2HB       GLU  99 -17.640 -13.582  -2.907
  790   1HG   GLU  99          1HG       GLU  99 -19.763 -15.679  -3.422
  791   2HG   GLU  99          2HG       GLU  99 -19.490 -14.820  -1.912
  792    H    GLU 100           H        GLU 100 -18.587 -11.814  -4.817
  793    HA   GLU 100           HA       GLU 100 -15.903 -10.827  -5.725
  794   1HB   GLU 100          1HB       GLU 100 -18.169 -10.446  -7.020
  795   2HB   GLU 100          2HB       GLU 100 -18.473  -9.245  -5.765
  796   1HG   GLU 100          1HG       GLU 100 -15.773  -9.123  -6.958
  797   2HG   GLU 100          2HG       GLU 100 -17.086  -8.736  -8.069
  798    H    ILE 101           H        ILE 101 -14.774 -10.099  -3.951
  799    HA   ILE 101           HA       ILE 101 -16.223  -9.306  -1.518
  800    HB   ILE 101           HB       ILE 101 -13.274  -9.497  -2.218
  801   1HG1  ILE 101          1HG1      ILE 101 -15.140 -11.431  -0.804
  802   2HG1  ILE 101          2HG1      ILE 101 -14.467 -11.641  -2.421
  803   1HG2  ILE 101          1HG2      ILE 101 -14.216  -8.095  -0.146
  804   2HG2  ILE 101          2HG2      ILE 101 -12.773  -9.097   0.003
  805   3HG2  ILE 101          3HG2      ILE 101 -14.329  -9.703   0.570
  806   1HD1  ILE 101          1HD1      ILE 101 -12.403 -11.058  -0.436
  807   2HD1  ILE 101          2HD1      ILE 101 -12.491 -12.375  -1.605
  808   3HD1  ILE 101          3HD1      ILE 101 -13.307 -12.521  -0.048
  809    H    THR 102           H        THR 102 -16.675  -7.266  -0.982
  810    HA   THR 102           HA       THR 102 -14.964  -5.003  -1.792
  811    HB   THR 102           HB       THR 102 -17.077  -3.889  -2.763
  812    HG1  THR 102           HG1      THR 102 -18.807  -5.034  -2.630
  813   1HG2  THR 102          1HG2      THR 102 -16.099  -6.350  -4.235
  814   2HG2  THR 102          2HG2      THR 102 -15.174  -4.853  -4.114
  815   3HG2  THR 102          3HG2      THR 102 -16.730  -4.864  -4.944
  816    H    ILE 103           H        ILE 103 -15.337  -3.183  -0.383
  817    HA   ILE 103           HA       ILE 103 -17.244  -3.750   1.864
  818    HB   ILE 103           HB       ILE 103 -15.620  -2.524   3.249
  819   1HG1  ILE 103          1HG1      ILE 103 -13.397  -2.246   1.536
  820   2HG1  ILE 103          2HG1      ILE 103 -14.764  -1.563   0.657
  821   1HG2  ILE 103          1HG2      ILE 103 -13.527  -4.050   2.193
  822   2HG2  ILE 103          2HG2      ILE 103 -14.986  -4.913   1.709
  823   3HG2  ILE 103          3HG2      ILE 103 -14.688  -4.573   3.413
  824   1HD1  ILE 103          1HD1      ILE 103 -15.175  -0.588   3.197
  825   2HD1  ILE 103          2HD1      ILE 103 -14.380   0.300   1.897
  826   3HD1  ILE 103          3HD1      ILE 103 -13.415  -0.581   3.082
  827    H    SER 104           H        SER 104 -18.361  -1.897   2.774
  828    HA   SER 104           HA       SER 104 -18.948   0.200   0.766
  829   1HB   SER 104          1HB       SER 104 -20.228  -1.137   3.036
  830   2HB   SER 104          2HB       SER 104 -20.454   0.611   3.091
  831    HG   SER 104           HG       SER 104 -21.909  -0.903   1.742
  832    H    TYR 105           H        TYR 105 -19.495   2.426   2.151
  833    HA   TYR 105           HA       TYR 105 -16.994   3.029   3.702
  834   1HB   TYR 105          1HB       TYR 105 -18.550   4.916   1.897
  835   2HB   TYR 105          2HB       TYR 105 -16.946   5.173   2.577
  836    HD1  TYR 105           HD1      TYR 105 -18.082   5.021  -0.429
  837    HD2  TYR 105           HD2      TYR 105 -15.797   2.405   2.098
  838    HE1  TYR 105           HE1      TYR 105 -17.076   3.964  -2.433
  839    HE2  TYR 105           HE2      TYR 105 -14.791   1.346   0.092
  840    HH   TYR 105           HH       TYR 105 -14.363   1.943  -2.277
  841    H    GLY 106           H        GLY 106 -20.109   4.676   3.017
  842   1HA   GLY 106          1HA       GLY 106 -21.301   4.428   5.538
  843   2HA   GLY 106          2HA       GLY 106 -20.234   5.827   5.662
  844    H    ASP 107           H        ASP 107 -22.612   6.705   5.997
  845    HA   ASP 107           HA       ASP 107 -24.273   7.051   3.650
  846   1HB   ASP 107          1HB       ASP 107 -24.117   7.909   6.478
  847   2HB   ASP 107          2HB       ASP 107 -24.933   9.056   5.416
  848    H    ASP 108           H        ASP 108 -21.672   8.932   5.150
  849    HA   ASP 108           HA       ASP 108 -22.086  11.321   3.560
  850   1HB   ASP 108          1HB       ASP 108 -20.352  10.279   5.639
  851   2HB   ASP 108          2HB       ASP 108 -19.395  11.118   4.417
  852    H    TYR 109           H        TYR 109 -19.294   9.069   3.484
  853    HA   TYR 109           HA       TYR 109 -18.482   9.881   0.842
  854   1HB   TYR 109          1HB       TYR 109 -17.477   8.443   2.992
  855   2HB   TYR 109          2HB       TYR 109 -17.692   7.197   1.763
  856    HD1  TYR 109           HD1      TYR 109 -16.724  10.822   1.611
  857    HD2  TYR 109           HD2      TYR 109 -15.673   6.762   0.683
  858    HE1  TYR 109           HE1      TYR 109 -14.684  11.617   0.445
  859    HE2  TYR 109           HE2      TYR 109 -13.634   7.556  -0.483
  860    HH   TYR 109           HH       TYR 109 -12.131   9.683  -0.313
  861    H    TRP 110           H        TRP 110 -20.808   9.576  -0.071
  862    HA   TRP 110           HA       TRP 110 -20.875   6.980  -1.486
  863   1HB   TRP 110          1HB       TRP 110 -22.248   7.293   0.879
  864   2HB   TRP 110          2HB       TRP 110 -23.471   7.760  -0.301
  865    HD1  TRP 110           HD1      TRP 110 -23.597   5.046   1.394
  866    HE1  TRP 110           HE1      TRP 110 -23.712   2.800   0.137
  867    HE3  TRP 110           HE3      TRP 110 -21.720   6.463  -3.149
  868    HZ2  TRP 110           HZ2      TRP 110 -23.093   1.743  -2.444
  869    HZ3  TRP 110           HZ3      TRP 110 -21.496   4.817  -4.981
  870    HH2  TRP 110           HH2      TRP 110 -22.177   2.461  -4.637
  871    H    LEU 111           H        LEU 111 -23.573   7.340  -2.419
  872    HA   LEU 111           HA       LEU 111 -23.101   9.335  -4.500
  873   1HB   LEU 111          1HB       LEU 111 -24.177   7.150  -4.898
  874   2HB   LEU 111          2HB       LEU 111 -25.473   7.571  -3.780
  875    HG   LEU 111           HG       LEU 111 -25.738   9.673  -5.352
  876   1HD1  LEU 111          1HD1      LEU 111 -23.622   8.790  -6.626
  877   2HD1  LEU 111          2HD1      LEU 111 -24.974   9.441  -7.553
  878   3HD1  LEU 111          3HD1      LEU 111 -24.768   7.696  -7.400
  879   1HD2  LEU 111          1HD2      LEU 111 -26.666   6.846  -5.794
  880   2HD2  LEU 111          2HD2      LEU 111 -27.163   8.120  -6.907
  881   3HD2  LEU 111          3HD2      LEU 111 -27.579   8.232  -5.197
  882    H    SER 112           H        SER 112 -26.033   8.906  -2.483
  883    HA   SER 112           HA       SER 112 -25.951  11.735  -1.648
  884   1HB   SER 112          1HB       SER 112 -27.337  10.748  -4.005
  885   2HB   SER 112          2HB       SER 112 -28.485  11.440  -2.859
  886    HG   SER 112           HG       SER 112 -26.177  12.659  -3.957
  887    H    ARG 113           H        ARG 113 -28.787   9.646  -2.138
  888    HA   ARG 113           HA       ARG 113 -28.922   9.164   0.808
  889   1HB   ARG 113          1HB       ARG 113 -30.221  11.233  -0.369
  890   2HB   ARG 113          2HB       ARG 113 -31.417   9.960  -0.618
  891   1HG   ARG 113          1HG       ARG 113 -31.997   9.972   1.563
  892   2HG   ARG 113          2HG       ARG 113 -30.312   9.873   2.075
  893   1HD   ARG 113          1HD       ARG 113 -30.927  12.504   0.971
  894   2HD   ARG 113          2HD       ARG 113 -31.973  12.108   2.348
  895    HE   ARG 113           HE       ARG 113 -29.097  12.539   2.467
  896   1HH1  ARG 113          1HH1      ARG 113 -31.758  10.755   3.828
  897   2HH1  ARG 113          2HH1      ARG 113 -30.967  10.521   5.347
  898   1HH2  ARG 113          1HH2      ARG 113 -28.090  12.221   4.449
  899   2HH2  ARG 113          2HH2      ARG 113 -28.906  11.343   5.699
  900    HA   PRO 114           HA       PRO 114 -30.257   5.613  -1.969
  901   1HB   PRO 114          1HB       PRO 114 -28.321   3.823  -1.165
  902   2HB   PRO 114          2HB       PRO 114 -28.136   4.899  -2.563
  903   1HG   PRO 114          1HG       PRO 114 -27.031   5.146   0.186
  904   2HG   PRO 114          2HG       PRO 114 -26.305   5.583  -1.365
  905   1HD   PRO 114          1HD       PRO 114 -27.412   7.386   0.375
  906   2HD   PRO 114          2HD       PRO 114 -27.283   7.648  -1.376
  907    H    ARG 115           H        ARG 115 -28.941   5.566   1.347
  908    HA   ARG 115           HA       ARG 115 -29.753   4.543   3.311
  909   1HB   ARG 115          1HB       ARG 115 -32.120   5.228   1.598
  910   2HB   ARG 115          2HB       ARG 115 -32.400   4.283   3.061
  911   1HG   ARG 115          1HG       ARG 115 -31.960   6.048   4.424
  912   2HG   ARG 115          2HG       ARG 115 -30.597   6.584   3.440
  913   1HD   ARG 115          1HD       ARG 115 -32.122   8.323   3.067
  914   2HD   ARG 115          2HD       ARG 115 -32.539   7.236   1.728
  915    HE   ARG 115           HE       ARG 115 -33.997   6.388   4.015
  916   1HH1  ARG 115          1HH1      ARG 115 -33.801   9.112   1.856
  917   2HH1  ARG 115          2HH1      ARG 115 -35.465   9.534   2.060
  918   1HH2  ARG 115          1HH2      ARG 115 -36.155   6.956   4.263
  919   2HH2  ARG 115          2HH2      ARG 115 -36.790   8.324   3.412
  920    H    LEU 116           H        LEU 116 -29.104   2.850   0.774
  921    HA   LEU 116           HA       LEU 116 -29.249   0.588   0.112
  922   1HB   LEU 116          1HB       LEU 116 -28.554   0.953   2.766
  923   2HB   LEU 116          2HB       LEU 116 -29.847  -0.237   2.872
  924    HG   LEU 116           HG       LEU 116 -27.663  -1.351   2.610
  925   1HD1  LEU 116          1HD1      LEU 116 -29.732  -2.316   1.562
  926   2HD1  LEU 116          2HD1      LEU 116 -28.245  -2.778   0.732
  927   3HD1  LEU 116          3HD1      LEU 116 -29.282  -1.524   0.052
  928   1HD2  LEU 116          1HD2      LEU 116 -27.381  -0.333  -0.176
  929   2HD2  LEU 116          2HD2      LEU 116 -26.134  -0.797   0.982
  930   3HD2  LEU 116          3HD2      LEU 116 -26.932   0.770   1.125
  931    H    THR 117           H        THR 117 -31.796   1.973  -0.083
  932    HA   THR 117           HA       THR 117 -33.638  -0.323   0.486
  933    HB   THR 117           HB       THR 117 -34.144   2.662   0.788
  934    HG1  THR 117           HG1      THR 117 -34.432   1.882   3.031
  935   1HG2  THR 117          1HG2      THR 117 -36.074   0.902   2.033
  936   2HG2  THR 117          2HG2      THR 117 -35.951   0.550   0.309
  937   3HG2  THR 117          3HG2      THR 117 -36.344   2.182   0.850
  938    H    GLN 118           H        GLN 118 -33.940   2.856  -1.137
  939    HA   GLN 118           HA       GLN 118 -34.293   1.522  -3.757
  940   1HB   GLN 118          1HB       GLN 118 -36.447   1.918  -2.070
  941   2HB   GLN 118          2HB       GLN 118 -36.490   3.371  -3.069
  942   1HG   GLN 118          1HG       GLN 118 -36.115   1.637  -5.037
  943   2HG   GLN 118          2HG       GLN 118 -36.805   0.501  -3.877
  944   1HE2  GLN 118          1HE2      GLN 118 -39.010   0.292  -4.285
  945   2HE2  GLN 118          2HE2      GLN 118 -40.054   1.569  -4.685
  946    H    ASN 119           H        ASN 119 -32.206   3.142  -3.326
  947    HA   ASN 119           HA       ASN 119 -31.164   5.153  -3.998
  948   1HB   ASN 119          1HB       ASN 119 -33.495   4.626  -5.798
  949   2HB   ASN 119          2HB       ASN 119 -32.709   6.198  -5.942
  950   1HD2  ASN 119          1HD2      ASN 119 -31.693   2.739  -5.614
  951   2HD2  ASN 119          2HD2      ASN 119 -30.447   2.849  -6.761
  952   1H    GLY 201          1H        GLY 201 -35.761  16.927  -8.831
  953   2H    GLY 201          2H        GLY 201 -34.368  16.036  -9.218
  954   3H    GLY 201          3H        GLY 201 -35.904  15.419  -9.600
  955   1HA   GLY 201          1HA       GLY 201 -36.217  16.837 -11.361
  956   2HA   GLY 201          2HA       GLY 201 -35.063  18.006 -10.718
  957    H    LYS 202           H        LYS 202 -33.346  18.090 -12.087
  958    HA   LYS 202           HA       LYS 202 -31.754  15.691 -12.592
  959   1HB   LYS 202          1HB       LYS 202 -33.767  16.726 -14.491
  960   2HB   LYS 202          2HB       LYS 202 -32.175  16.475 -15.206
  961   1HG   LYS 202          1HG       LYS 202 -32.817  14.254 -13.485
  962   2HG   LYS 202          2HG       LYS 202 -34.131  14.509 -14.633
  963   1HD   LYS 202          1HD       LYS 202 -31.334  14.635 -15.676
  964   2HD   LYS 202          2HD       LYS 202 -31.986  13.047 -15.271
  965   1HE   LYS 202          1HE       LYS 202 -34.037  13.691 -16.679
  966   2HE   LYS 202          2HE       LYS 202 -33.061  15.046 -17.279
  967   1HZ   LYS 202          1HZ       LYS 202 -32.058  12.254 -17.222
  968   2HZ   LYS 202          2HZ       LYS 202 -31.414  13.579 -18.068
  969   3HZ   LYS 202          3HZ       LYS 202 -32.882  12.885 -18.566
  970    H    ALA 203           H        ALA 203 -30.747  17.788 -11.329
  971    HA   ALA 203           HA       ALA 203 -29.618  19.744 -13.248
  972   1HB   ALA 203          1HB       ALA 203 -30.062  19.445 -10.338
  973   2HB   ALA 203          2HB       ALA 203 -30.102  20.901 -11.332
  974   3HB   ALA 203          3HB       ALA 203 -28.559  20.265 -10.761
  975    HA   PRO 204           HA       PRO 204 -25.845  17.533 -13.825
  976   1HB   PRO 204          1HB       PRO 204 -24.477  20.170 -13.781
  977   2HB   PRO 204          2HB       PRO 204 -24.539  18.962 -15.075
  978   1HG   PRO 204          1HG       PRO 204 -25.894  21.283 -15.191
  979   2HG   PRO 204          2HG       PRO 204 -26.488  19.792 -15.933
  980   1HD   PRO 204          1HD       PRO 204 -27.381  21.158 -13.448
  981   2HD   PRO 204          2HD       PRO 204 -28.314  20.198 -14.614
  982    H    ARG 205           H        ARG 205 -26.012  20.140 -11.424
  983    HA   ARG 205           HA       ARG 205 -24.981  20.355  -9.309
  984   1HB   ARG 205          1HB       ARG 205 -25.759  17.599  -9.827
  985   2HB   ARG 205          2HB       ARG 205 -24.371  17.659  -8.742
  986   1HG   ARG 205          1HG       ARG 205 -25.544  18.747  -7.080
  987   2HG   ARG 205          2HG       ARG 205 -26.608  19.567  -8.223
  988   1HD   ARG 205          1HD       ARG 205 -27.857  17.504  -8.613
  989   2HD   ARG 205          2HD       ARG 205 -26.726  16.593  -7.594
  990    HE   ARG 205           HE       ARG 205 -27.574  18.714  -5.992
  991   1HH1  ARG 205          1HH1      ARG 205 -29.114  16.133  -7.748
  992   2HH1  ARG 205          2HH1      ARG 205 -30.447  16.034  -6.650
  993   1HH2  ARG 205          1HH2      ARG 205 -29.315  18.567  -4.582
  994   2HH2  ARG 205          2HH2      ARG 205 -30.562  17.400  -4.872
  995    H    LYS 206           H        LYS 206 -23.049  21.365 -10.284
  996    HA   LYS 206           HA       LYS 206 -20.774  19.788 -11.137
  997   1HB   LYS 206          1HB       LYS 206 -21.645  22.439 -11.193
  998   2HB   LYS 206          2HB       LYS 206 -20.247  22.489 -10.119
  999   1HG   LYS 206          1HG       LYS 206 -19.102  22.659 -12.097
 1000   2HG   LYS 206          2HG       LYS 206 -19.261  20.903 -12.079
 1001   1HD   LYS 206          1HD       LYS 206 -19.976  21.773 -14.254
 1002   2HD   LYS 206          2HD       LYS 206 -21.365  21.110 -13.394
 1003   1HE   LYS 206          1HE       LYS 206 -21.099  23.855 -12.625
 1004   2HE   LYS 206          2HE       LYS 206 -21.038  23.770 -14.395
 1005   1HZ   LYS 206          1HZ       LYS 206 -22.995  22.379 -14.383
 1006   2HZ   LYS 206          2HZ       LYS 206 -23.335  23.811 -13.535
 1007   3HZ   LYS 206          3HZ       LYS 206 -23.034  22.372 -12.685
 1008    H    GLN 207           H        GLN 207 -19.725  18.484  -9.674
 1009    HA   GLN 207           HA       GLN 207 -18.634  17.810  -7.690
 1010   1HB   GLN 207          1HB       GLN 207 -18.022  20.566  -8.347
 1011   2HB   GLN 207          2HB       GLN 207 -17.978  20.344  -6.598
 1012   1HG   GLN 207          1HG       GLN 207 -15.815  19.709  -7.150
 1013   2HG   GLN 207          2HG       GLN 207 -16.634  18.150  -7.244
 1014   1HE2  GLN 207          1HE2      GLN 207 -15.872  17.066  -9.070
 1015   2HE2  GLN 207          2HE2      GLN 207 -15.616  17.778 -10.590
 1016    H    LEU 208           H        LEU 208 -18.632  18.309  -5.190
 1017    HA   LEU 208           HA       LEU 208 -21.360  19.240  -4.360
 1018   1HB   LEU 208          1HB       LEU 208 -19.894  16.672  -3.987
 1019   2HB   LEU 208          2HB       LEU 208 -20.784  17.263  -2.584
 1020    HG   LEU 208           HG       LEU 208 -22.177  17.329  -5.224
 1021   1HD1  LEU 208          1HD1      LEU 208 -22.654  15.030  -5.288
 1022   2HD1  LEU 208          2HD1      LEU 208 -22.150  14.783  -3.616
 1023   3HD1  LEU 208          3HD1      LEU 208 -20.941  15.054  -4.871
 1024   1HD2  LEU 208          1HD2      LEU 208 -22.863  16.946  -2.317
 1025   2HD2  LEU 208          2HD2      LEU 208 -24.010  16.472  -3.571
 1026   3HD2  LEU 208          3HD2      LEU 208 -23.478  18.149  -3.450
 1027    H    ALA 209           H        ALA 209 -21.291  19.406  -1.781
 1028    HA   ALA 209           HA       ALA 209 -19.542  21.501  -1.050
 1029   1HB   ALA 209          1HB       ALA 209 -21.727  20.348  -0.010
 1030   2HB   ALA 209          2HB       ALA 209 -20.635  21.301   0.995
 1031   3HB   ALA 209          3HB       ALA 209 -20.523  19.541   0.995
 1032    H    THR 210           H        THR 210 -19.310  18.046  -0.099
 1033    HA   THR 210           HA       THR 210 -17.443  16.793   0.624
 1034    HB   THR 210           HB       THR 210 -15.932  18.787  -1.091
 1035    HG1  THR 210           HG1      THR 210 -17.453  16.543  -1.921
 1036   1HG2  THR 210          1HG2      THR 210 -15.529  15.827  -1.141
 1037   2HG2  THR 210          2HG2      THR 210 -14.950  16.706   0.274
 1038   3HG2  THR 210          3HG2      THR 210 -14.348  17.123  -1.331
 1039    H    LYS 211           H        LYS 211 -18.143  18.577   2.573
 1040    HA   LYS 211           HA       LYS 211 -16.217  20.527   3.347
 1041   1HB   LYS 211          1HB       LYS 211 -18.220  18.763   4.770
 1042   2HB   LYS 211          2HB       LYS 211 -17.228  19.911   5.669
 1043   1HG   LYS 211          1HG       LYS 211 -18.232  21.760   4.680
 1044   2HG   LYS 211          2HG       LYS 211 -18.685  20.866   3.228
 1045   1HD   LYS 211          1HD       LYS 211 -20.609  20.042   4.174
 1046   2HD   LYS 211          2HD       LYS 211 -19.904  19.959   5.788
 1047   1HE   LYS 211          1HE       LYS 211 -21.111  21.842   6.235
 1048   2HE   LYS 211          2HE       LYS 211 -19.936  22.696   5.217
 1049   1HZ   LYS 211          1HZ       LYS 211 -22.508  21.457   4.401
 1050   2HZ   LYS 211          2HZ       LYS 211 -21.309  21.884   3.276
 1051   3HZ   LYS 211          3HZ       LYS 211 -22.037  23.080   4.236
 1052    H    ALA 212           H        ALA 212 -16.618  17.313   4.884
 1053    HA   ALA 212           HA       ALA 212 -13.840  16.570   4.627
 1054   1HB   ALA 212          1HB       ALA 212 -14.404  18.587   6.483
 1055   2HB   ALA 212          2HB       ALA 212 -12.936  17.611   6.437
 1056   3HB   ALA 212          3HB       ALA 212 -14.284  17.128   7.467
 1057    H    ALA 213           H        ALA 213 -15.257  14.664   4.074
 1058    HA   ALA 213           HA       ALA 213 -15.688  12.992   6.492
 1059   1HB   ALA 213          1HB       ALA 213 -17.825  13.217   4.369
 1060   2HB   ALA 213          2HB       ALA 213 -17.770  14.369   5.703
 1061   3HB   ALA 213          3HB       ALA 213 -17.985  12.650   6.031
 1062    H    ARG 214           H        ARG 214 -13.938  11.686   5.677
 1063    HA   ARG 214           HA       ARG 214 -13.967  10.619   2.962
 1064   1HB   ARG 214          1HB       ARG 214 -12.158  10.958   5.043
 1065   2HB   ARG 214          2HB       ARG 214 -12.408   9.212   5.025
 1066   1HG   ARG 214          1HG       ARG 214 -10.602   9.656   3.508
 1067   2HG   ARG 214          2HG       ARG 214 -12.015   9.300   2.514
 1068   1HD   ARG 214          1HD       ARG 214 -11.301  11.257   1.479
 1069   2HD   ARG 214          2HD       ARG 214 -12.334  11.967   2.732
 1070    HE   ARG 214           HE       ARG 214  -9.657  11.451   3.723
 1071   1HH1  ARG 214          1HH1      ARG 214 -11.582  13.649   1.829
 1072   2HH1  ARG 214          2HH1      ARG 214 -10.551  15.000   2.148
 1073   1HH2  ARG 214          1HH2      ARG 214  -8.335  13.222   4.122
 1074   2HH2  ARG 214          2HH2      ARG 214  -8.726  14.763   3.436
 1075   1HN   MLZ 215          1HN       MLZ 215 -13.196   7.878   3.842
 1076    HA   MLZ 215           HA       MLZ 215 -15.839   6.668   3.786
 1077   1HB   MLZ 215          1HB       MLZ 215 -13.014   5.634   4.196
 1078   2HB   MLZ 215          2HB       MLZ 215 -14.414   4.577   4.024
 1079   1HG   MLZ 215          1HG       MLZ 215 -13.689   6.692   1.983
 1080   2HG   MLZ 215          2HG       MLZ 215 -14.847   5.375   1.803
 1081   1HD   MLZ 215          1HD       MLZ 215 -11.873   4.984   2.246
 1082   2HD   MLZ 215          2HD       MLZ 215 -13.060   3.727   1.898
 1083   1HE   MLZ 215          1HE       MLZ 215 -11.845   5.747   0.058
 1084   2HE   MLZ 215          2HE       MLZ 215 -13.534   5.287  -0.230
 1085    HZ   MLZ 215           HZ       MLZ 215 -12.739   2.921   0.093
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -11.801   4.550  -2.205
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -13.332   3.693  -2.064
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -11.828   2.791  -2.202
 1089    H    SER 216           H        SER 216 -17.058   6.008   5.527
 1090    HA   SER 216           HA       SER 216 -17.656   5.541   7.765
 1091   1HB   SER 216          1HB       SER 216 -16.979   7.280   9.238
 1092   2HB   SER 216          2HB       SER 216 -15.413   7.454   8.444
 1093    HG   SER 216           HG       SER 216 -16.664   9.112   7.723
 1094    H    ALA 217           H        ALA 217 -16.425   5.091  10.054
 1095    HA   ALA 217           HA       ALA 217 -14.624   2.836   9.491
 1096   1HB   ALA 217          1HB       ALA 217 -13.753   5.515  10.460
 1097   2HB   ALA 217          2HB       ALA 217 -12.850   4.308   9.544
 1098   3HB   ALA 217          3HB       ALA 217 -13.045   4.127  11.288
 1099    HA   PRO 218           HA       PRO 218 -16.227   1.202  13.232
 1100   1HB   PRO 218          1HB       PRO 218 -13.914   0.486  14.620
 1101   2HB   PRO 218          2HB       PRO 218 -14.675  -0.497  13.368
 1102   1HG   PRO 218          1HG       PRO 218 -12.343   1.347  13.201
 1103   2HG   PRO 218          2HG       PRO 218 -12.606  -0.215  12.411
 1104   1HD   PRO 218          1HD       PRO 218 -12.880   2.099  11.083
 1105   2HD   PRO 218          2HD       PRO 218 -13.924   0.698  10.766
 1106    H    ALA 219           H        ALA 219 -13.365   3.272  13.805
 1107    HA   ALA 219           HA       ALA 219 -12.978   4.921  15.452
 1108   1HB   ALA 219          1HB       ALA 219 -15.911   4.970  14.775
 1109   2HB   ALA 219          2HB       ALA 219 -14.667   6.163  14.399
 1110   3HB   ALA 219          3HB       ALA 219 -15.306   6.042  16.039
 1111    H    THR 220           H        THR 220 -12.333   3.219  17.030
 1112    HA   THR 220           HA       THR 220 -14.428   2.518  19.036
 1113    HB   THR 220           HB       THR 220 -13.067   0.720  18.038
 1114    HG1  THR 220           HG1      THR 220 -12.223   1.262  20.689
 1115   1HG2  THR 220          1HG2      THR 220 -11.049   1.682  17.367
 1116   2HG2  THR 220          2HG2      THR 220 -10.551   0.803  18.812
 1117   3HG2  THR 220          3HG2      THR 220 -10.835   2.541  18.892
 1118    H    GLY 221           H        GLY 221 -13.841   2.755  21.345
 1119   1HA   GLY 221          1HA       GLY 221 -12.821   3.850  23.174
 1120   2HA   GLY 221          2HA       GLY 221 -11.559   4.416  22.079
 1121   1H    MET   1          1H        MET   1   0.125 -12.155   8.045
 1122   2H    MET   1          2H        MET   1  -0.346 -11.665   6.488
 1123   3H    MET   1          3H        MET   1  -0.701 -10.686   7.830
 1124    HA   MET   1           HA       MET   1   1.233  -9.920   6.433
 1125   1HB   MET   1          1HB       MET   1   0.964 -10.399   9.351
 1126   2HB   MET   1          2HB       MET   1   2.578  -9.931   8.817
 1127   1HG   MET   1          1HG       MET   1   0.143  -8.417   7.884
 1128   2HG   MET   1          2HG       MET   1   0.901  -8.042   9.431
 1129   1HE   MET   1          1HE       MET   1   1.486  -7.503   5.348
 1130   2HE   MET   1          2HE       MET   1   1.520  -5.872   6.017
 1131   3HE   MET   1          3HE       MET   1   0.253  -6.999   6.504
 1132    H    PHE   2           H        PHE   2   1.149 -12.965   6.219
 1133    HA   PHE   2           HA       PHE   2   4.004 -13.343   5.722
 1134   1HB   PHE   2          1HB       PHE   2   4.196 -15.196   7.402
 1135   2HB   PHE   2          2HB       PHE   2   3.893 -13.633   8.160
 1136    HD1  PHE   2           HD1      PHE   2   1.608 -13.056   8.976
 1137    HD2  PHE   2           HD2      PHE   2   2.572 -16.968   7.487
 1138    HE1  PHE   2           HE1      PHE   2  -0.450 -13.961  10.022
 1139    HE2  PHE   2           HE2      PHE   2   0.514 -17.874   8.533
 1140    HZ   PHE   2           HZ       PHE   2  -0.998 -16.370   9.801
 1141    H    ASN   3           H        ASN   3   4.111 -14.709   3.981
 1142    HA   ASN   3           HA       ASN   3   1.826 -16.606   3.545
 1143   1HB   ASN   3          1HB       ASN   3   2.305 -16.211   1.130
 1144   2HB   ASN   3          2HB       ASN   3   1.941 -14.703   1.969
 1145   1HD2  ASN   3          1HD2      ASN   3   3.572 -13.092   2.002
 1146   2HD2  ASN   3          2HD2      ASN   3   5.125 -13.310   1.353
 1147    H    ASP   4           H        ASP   4   2.498 -18.548   2.196
 1148    HA   ASP   4           HA       ASP   4   4.765 -19.886   3.377
 1149   1HB   ASP   4          1HB       ASP   4   3.017 -20.467   0.957
 1150   2HB   ASP   4          2HB       ASP   4   4.116 -21.635   1.691
 1151    H    ARG   5           H        ARG   5   6.169 -17.866   2.610
 1152    HA   ARG   5           HA       ARG   5   8.073 -18.758   0.683
 1153   1HB   ARG   5          1HB       ARG   5   5.665 -17.604  -0.374
 1154   2HB   ARG   5          2HB       ARG   5   6.989 -16.480  -0.687
 1155   1HG   ARG   5          1HG       ARG   5   8.201 -18.812  -1.342
 1156   2HG   ARG   5          2HG       ARG   5   6.534 -19.218  -1.750
 1157   1HD   ARG   5          1HD       ARG   5   6.494 -16.940  -2.998
 1158   2HD   ARG   5          2HD       ARG   5   8.263 -17.014  -2.885
 1159    HE   ARG   5           HE       ARG   5   8.224 -18.803  -4.436
 1160   1HH1  ARG   5          1HH1      ARG   5   5.075 -18.310  -3.036
 1161   2HH1  ARG   5          2HH1      ARG   5   4.313 -19.465  -4.071
 1162   1HH2  ARG   5          1HH2      ARG   5   7.211 -20.298  -5.769
 1163   2HH2  ARG   5          2HH2      ARG   5   5.510 -20.584  -5.608
 1164    H    VAL   6           H        VAL   6   6.497 -16.003   2.247
 1165    HA   VAL   6           HA       VAL   6   9.146 -14.952   3.042
 1166    HB   VAL   6           HB       VAL   6   7.107 -13.447   1.360
 1167   1HG1  VAL   6          1HG1      VAL   6   8.183 -12.053   3.136
 1168   2HG1  VAL   6          2HG1      VAL   6   8.630 -11.550   1.506
 1169   3HG1  VAL   6          3HG1      VAL   6   9.759 -12.493   2.478
 1170   1HG2  VAL   6          1HG2      VAL   6   9.179 -13.254  -0.152
 1171   2HG2  VAL   6          2HG2      VAL   6   8.404 -14.836  -0.073
 1172   3HG2  VAL   6          3HG2      VAL   6   9.881 -14.531   0.841
 1173    H    ILE   7           H        ILE   7   8.914 -13.295   4.748
 1174    HA   ILE   7           HA       ILE   7   6.179 -13.173   5.965
 1175    HB   ILE   7           HB       ILE   7   7.526 -14.949   7.027
 1176   1HG1  ILE   7          1HG1      ILE   7   7.685 -12.725   9.018
 1177   2HG1  ILE   7          2HG1      ILE   7   6.104 -13.105   8.333
 1178   1HG2  ILE   7          1HG2      ILE   7   9.507 -13.257   8.289
 1179   2HG2  ILE   7          2HG2      ILE   7   9.639 -13.154   6.535
 1180   3HG2  ILE   7          3HG2      ILE   7   9.746 -14.721   7.336
 1181   1HD1  ILE   7          1HD1      ILE   7   7.120 -15.607   8.900
 1182   2HD1  ILE   7          2HD1      ILE   7   6.002 -14.714   9.930
 1183   3HD1  ILE   7          3HD1      ILE   7   7.736 -14.638  10.238
 1184    H    VAL   8           H        VAL   8   5.921 -11.320   7.442
 1185    HA   VAL   8           HA       VAL   8   7.629  -9.028   6.609
 1186    HB   VAL   8           HB       VAL   8   4.964  -9.217   8.061
 1187   1HG1  VAL   8          1HG1      VAL   8   4.875  -6.911   8.091
 1188   2HG1  VAL   8          2HG1      VAL   8   5.890  -6.749   6.659
 1189   3HG1  VAL   8          3HG1      VAL   8   6.623  -7.109   8.223
 1190   1HG2  VAL   8          1HG2      VAL   8   4.552  -8.054   5.591
 1191   2HG2  VAL   8          2HG2      VAL   8   4.234  -9.745   5.979
 1192   3HG2  VAL   8          3HG2      VAL   8   5.765  -9.283   5.235
 1193    H    LYS   9           H        LYS   9   9.289  -8.586   7.965
 1194    HA   LYS   9           HA       LYS   9   8.797  -8.724  10.913
 1195   1HB   LYS   9          1HB       LYS   9  11.298  -9.404   9.332
 1196   2HB   LYS   9          2HB       LYS   9  11.167  -9.454  11.089
 1197   1HG   LYS   9          1HG       LYS   9   9.028 -10.979  10.420
 1198   2HG   LYS   9          2HG       LYS   9  10.090 -11.330   9.056
 1199   1HD   LYS   9          1HD       LYS   9  11.903 -11.927  10.628
 1200   2HD   LYS   9          2HD       LYS   9  10.833 -11.587  11.986
 1201   1HE   LYS   9          1HE       LYS   9   9.441 -13.357  10.229
 1202   2HE   LYS   9          2HE       LYS   9  11.060 -14.025  10.507
 1203   1HZ   LYS   9          1HZ       LYS   9   9.076 -13.150  12.539
 1204   2HZ   LYS   9          2HZ       LYS   9  10.706 -13.449  12.912
 1205   3HZ   LYS   9          3HZ       LYS   9   9.723 -14.707  12.330
 1206    H    LYS  10           H        LYS  10  10.304  -5.469  11.181
 1207    HA   LYS  10           HA       LYS  10   9.607  -6.175  13.292
 1208   1HB   LYS  10          1HB       LYS  10   7.662  -8.154  12.370
 1209   2HB   LYS  10          2HB       LYS  10   7.395  -6.632  13.206
 1210   1HG   LYS  10          1HG       LYS  10   7.894  -5.571  10.844
 1211   2HG   LYS  10          2HG       LYS  10   7.456  -7.175  10.257
 1212   1HD   LYS  10          1HD       LYS  10   5.678  -5.889  12.284
 1213   2HD   LYS  10          2HD       LYS  10   5.622  -5.281  10.630
 1214   1HE   LYS  10          1HE       LYS  10   5.421  -7.791   9.949
 1215   2HE   LYS  10          2HE       LYS  10   4.957  -8.045  11.642
 1216   1HZ   LYS  10          1HZ       LYS  10   3.739  -6.070   9.775
 1217   2HZ   LYS  10          2HZ       LYS  10   3.309  -6.279  11.404
 1218   3HZ   LYS  10          3HZ       LYS  10   3.017  -7.521  10.283
 1219    H    SER  11           H        SER  11  11.895  -7.361  12.821
 1220    HA   SER  11           HA       SER  11  11.522 -10.295  13.244
 1221   1HB   SER  11          1HB       SER  11  13.164 -10.377  11.682
 1222   2HB   SER  11          2HB       SER  11  13.222  -8.618  11.649
 1223    HG   SER  11           HG       SER  11  15.185  -9.065  12.339
 1224    HA   PRO  12           HA       PRO  12  13.170 -10.155  17.306
 1225   1HB   PRO  12          1HB       PRO  12  15.319 -11.906  17.270
 1226   2HB   PRO  12          2HB       PRO  12  13.623 -12.417  17.341
 1227   1HG   PRO  12          1HG       PRO  12  15.491 -12.341  15.035
 1228   2HG   PRO  12          2HG       PRO  12  14.203 -13.494  15.409
 1229   1HD   PRO  12          1HD       PRO  12  13.980 -11.517  13.537
 1230   2HD   PRO  12          2HD       PRO  12  12.597 -12.211  14.406
 1231    H    LEU  13           H        LEU  13  15.374  -9.512  14.685
 1232    HA   LEU  13           HA       LEU  13  16.783  -7.519  16.353
 1233   1HB   LEU  13          1HB       LEU  13  17.744 -10.146  15.990
 1234   2HB   LEU  13          2HB       LEU  13  18.704  -9.150  14.897
 1235    HG   LEU  13           HG       LEU  13  18.220  -8.227  17.717
 1236   1HD1  LEU  13          1HD1      LEU  13  20.621  -9.893  16.999
 1237   2HD1  LEU  13          2HD1      LEU  13  19.137 -10.673  17.546
 1238   3HD1  LEU  13          3HD1      LEU  13  19.967  -9.522  18.594
 1239   1HD2  LEU  13          1HD2      LEU  13  19.553  -6.577  16.965
 1240   2HD2  LEU  13          2HD2      LEU  13  19.756  -7.407  15.422
 1241   3HD2  LEU  13          3HD2      LEU  13  20.848  -7.758  16.762
 1242    H    GLY  14           H        GLY  14  15.154  -6.792  14.333
 1243   1HA   GLY  14          1HA       GLY  14  17.027  -5.709  12.342
 1244   2HA   GLY  14          2HA       GLY  14  15.783  -6.774  11.686
 1245    H    GLY  15           H        GLY  15  14.648  -5.134  10.570
 1246   1HA   GLY  15          1HA       GLY  15  13.165  -3.252  12.348
 1247   2HA   GLY  15          2HA       GLY  15  13.907  -2.654  10.865
 1248    H    TYR  16           H        TYR  16  11.627  -2.073  10.293
 1249    HA   TYR  16           HA       TYR  16   9.699  -4.209   9.805
 1250   1HB   TYR  16          1HB       TYR  16   9.850  -1.337   9.888
 1251   2HB   TYR  16          2HB       TYR  16   9.109  -1.810   8.362
 1252    HD1  TYR  16           HD1      TYR  16   6.883  -2.603   8.282
 1253    HD2  TYR  16           HD2      TYR  16   8.918  -2.314  12.054
 1254    HE1  TYR  16           HE1      TYR  16   4.759  -3.094   9.465
 1255    HE2  TYR  16           HE2      TYR  16   6.794  -2.804  13.237
 1256    HH   TYR  16           HH       TYR  16   3.893  -3.750  11.488
 1257    H    GLY  17           H        GLY  17  11.756  -5.222   8.484
 1258   1HA   GLY  17          1HA       GLY  17  11.492  -4.390   5.624
 1259   2HA   GLY  17          2HA       GLY  17  12.859  -5.294   6.275
 1260    H    VAL  18           H        VAL  18  12.234  -6.830   4.440
 1261    HA   VAL  18           HA       VAL  18   9.964  -8.587   5.312
 1262    HB   VAL  18           HB       VAL  18   9.497  -7.656   3.152
 1263   1HG1  VAL  18          1HG1      VAL  18  11.498  -8.369   1.395
 1264   2HG1  VAL  18          2HG1      VAL  18  12.398  -7.887   2.829
 1265   3HG1  VAL  18          3HG1      VAL  18  11.273  -6.759   2.079
 1266   1HG2  VAL  18          1HG2      VAL  18   9.276 -10.186   3.426
 1267   2HG2  VAL  18          2HG2      VAL  18  10.772 -10.316   2.502
 1268   3HG2  VAL  18          3HG2      VAL  18   9.342  -9.589   1.768
 1269    H    PHE  19           H        PHE  19  10.510 -10.629   5.932
 1270    HA   PHE  19           HA       PHE  19  13.355 -11.391   5.922
 1271   1HB   PHE  19          1HB       PHE  19  10.903 -11.923   7.392
 1272   2HB   PHE  19          2HB       PHE  19  11.730 -13.429   7.000
 1273    HD1  PHE  19           HD1      PHE  19  12.902 -14.144   8.887
 1274    HD2  PHE  19           HD2      PHE  19  13.015  -9.993   7.789
 1275    HE1  PHE  19           HE1      PHE  19  14.543 -13.711  10.695
 1276    HE2  PHE  19           HE2      PHE  19  14.657  -9.560   9.597
 1277    HZ   PHE  19           HZ       PHE  19  15.420 -11.419  11.051
 1278    H    ALA  20           H        ALA  20  14.219 -13.097   4.757
 1279    HA   ALA  20           HA       ALA  20  12.579 -14.163   2.533
 1280   1HB   ALA  20          1HB       ALA  20  14.586 -13.863   1.522
 1281   2HB   ALA  20          2HB       ALA  20  15.270 -15.123   2.551
 1282   3HB   ALA  20          3HB       ALA  20  15.314 -13.438   3.071
 1283    H    ARG  21           H        ARG  21  11.287 -15.779   3.588
 1284    HA   ARG  21           HA       ARG  21  12.344 -17.779   5.377
 1285   1HB   ARG  21          1HB       ARG  21   9.884 -16.939   4.398
 1286   2HB   ARG  21          2HB       ARG  21  10.070 -18.537   3.673
 1287   1HG   ARG  21          1HG       ARG  21   9.137 -19.123   5.715
 1288   2HG   ARG  21          2HG       ARG  21  10.850 -19.186   6.128
 1289   1HD   ARG  21          1HD       ARG  21  10.775 -17.050   7.198
 1290   2HD   ARG  21          2HD       ARG  21   9.195 -16.669   6.487
 1291    HE   ARG  21           HE       ARG  21   8.695 -19.006   7.850
 1292   1HH1  ARG  21          1HH1      ARG  21  10.209 -15.998   8.734
 1293   2HH1  ARG  21          2HH1      ARG  21   9.734 -16.119  10.392
 1294   1HH2  ARG  21          1HH2      ARG  21   8.090 -19.140  10.007
 1295   2HH2  ARG  21          2HH2      ARG  21   8.542 -17.884  11.110
 1296    H    LYS  22           H        LYS  22  12.618 -17.312   1.974
 1297    HA   LYS  22           HA       LYS  22  13.423 -20.166   1.554
 1298   1HB   LYS  22          1HB       LYS  22  12.794 -17.970  -0.461
 1299   2HB   LYS  22          2HB       LYS  22  12.936 -19.693  -0.793
 1300   1HG   LYS  22          1HG       LYS  22  11.023 -19.466   1.268
 1301   2HG   LYS  22          2HG       LYS  22  10.621 -18.218   0.089
 1302   1HD   LYS  22          1HD       LYS  22  10.284 -19.763  -1.629
 1303   2HD   LYS  22          2HD       LYS  22  11.303 -20.983  -0.865
 1304   1HE   LYS  22          1HE       LYS  22   9.179 -20.441   0.950
 1305   2HE   LYS  22          2HE       LYS  22   8.454 -20.673  -0.652
 1306   1HZ   LYS  22          1HZ       LYS  22   8.827 -22.803   0.458
 1307   2HZ   LYS  22          2HZ       LYS  22  10.480 -22.449   0.616
 1308   3HZ   LYS  22          3HZ       LYS  22   9.803 -22.668  -0.926
 1309    H    SER  23           H        SER  23  16.621 -19.037   0.059
 1310    HA   SER  23           HA       SER  23  14.314 -20.921  -0.176
 1311   1HB   SER  23          1HB       SER  23  16.476 -21.873   0.447
 1312   2HB   SER  23          2HB       SER  23  16.113 -22.359  -1.210
 1313    HG   SER  23           HG       SER  23  17.785 -21.295  -1.858
 1314    H    PHE  24           H        PHE  24  16.145 -18.492  -1.882
 1315    HA   PHE  24           HA       PHE  24  14.525 -19.064  -4.340
 1316   1HB   PHE  24          1HB       PHE  24  15.578 -16.536  -3.032
 1317   2HB   PHE  24          2HB       PHE  24  14.916 -16.543  -4.666
 1318    HD1  PHE  24           HD1      PHE  24  13.992 -15.440  -1.693
 1319    HD2  PHE  24           HD2      PHE  24  12.694 -18.452  -4.468
 1320    HE1  PHE  24           HE1      PHE  24  11.696 -15.306  -0.766
 1321    HE2  PHE  24           HE2      PHE  24  10.399 -18.317  -3.540
 1322    HZ   PHE  24           HZ       PHE  24   9.900 -16.744  -1.689
 1323    H    GLU  25           H        GLU  25  15.589 -18.470  -6.398
 1324    HA   GLU  25           HA       GLU  25  18.510 -19.057  -6.322
 1325   1HB   GLU  25          1HB       GLU  25  16.215 -19.381  -8.208
 1326   2HB   GLU  25          2HB       GLU  25  17.804 -19.135  -8.931
 1327   1HG   GLU  25          1HG       GLU  25  18.421 -21.242  -8.430
 1328   2HG   GLU  25          2HG       GLU  25  17.970 -21.023  -6.740
 1329    H    LYS  26           H        LYS  26  19.784 -17.820  -8.088
 1330    HA   LYS  26           HA       LYS  26  19.523 -14.972  -7.613
 1331   1HB   LYS  26          1HB       LYS  26  21.621 -16.363  -8.013
 1332   2HB   LYS  26          2HB       LYS  26  21.155 -16.433  -9.710
 1333   1HG   LYS  26          1HG       LYS  26  21.509 -14.158 -10.045
 1334   2HG   LYS  26          2HG       LYS  26  21.270 -13.769  -8.343
 1335   1HD   LYS  26          1HD       LYS  26  23.442 -14.254  -7.789
 1336   2HD   LYS  26          2HD       LYS  26  23.559 -15.559  -8.970
 1337   1HE   LYS  26          1HE       LYS  26  23.349 -12.699  -9.909
 1338   2HE   LYS  26          2HE       LYS  26  24.917 -13.370  -9.421
 1339   1HZ   LYS  26          1HZ       LYS  26  24.735 -15.092 -10.987
 1340   2HZ   LYS  26          2HZ       LYS  26  24.232 -13.709 -11.834
 1341   3HZ   LYS  26          3HZ       LYS  26  23.080 -14.811 -11.248
 1342    H    GLY  27           H        GLY  27  17.392 -14.452  -8.472
 1343   1HA   GLY  27          1HA       GLY  27  16.748 -13.123 -10.536
 1344   2HA   GLY  27          2HA       GLY  27  17.257 -14.535 -11.461
 1345    H    GLU  28           H        GLU  28  15.238 -14.127  -8.528
 1346    HA   GLU  28           HA       GLU  28  13.072 -15.628  -9.965
 1347   1HB   GLU  28          1HB       GLU  28  14.533 -16.096  -7.443
 1348   2HB   GLU  28          2HB       GLU  28  12.781 -16.205  -7.275
 1349   1HG   GLU  28          1HG       GLU  28  12.869 -17.688  -9.393
 1350   2HG   GLU  28          2HG       GLU  28  14.598 -17.813  -9.070
 1351    H    LEU  29           H        LEU  29  11.043 -14.700  -9.798
 1352    HA   LEU  29           HA       LEU  29  10.751 -12.026  -8.778
 1353   1HB   LEU  29          1HB       LEU  29   9.488 -13.302 -10.638
 1354   2HB   LEU  29          2HB       LEU  29   8.555 -14.043  -9.342
 1355    HG   LEU  29           HG       LEU  29   7.453 -12.017 -10.335
 1356   1HD1  LEU  29          1HD1      LEU  29   6.677 -11.202  -8.266
 1357   2HD1  LEU  29          2HD1      LEU  29   8.244 -11.424  -7.489
 1358   3HD1  LEU  29          3HD1      LEU  29   7.247 -12.825  -7.879
 1359   1HD2  LEU  29          1HD2      LEU  29   9.137 -10.109  -8.907
 1360   2HD2  LEU  29          2HD2      LEU  29   8.537 -10.051 -10.564
 1361   3HD2  LEU  29          3HD2      LEU  29  10.015 -10.936 -10.192
 1362    H    VAL  30           H        VAL  30  10.642 -11.518  -6.640
 1363    HA   VAL  30           HA       VAL  30   9.625 -13.545  -4.703
 1364    HB   VAL  30           HB       VAL  30  11.004 -10.864  -4.291
 1365   1HG1  VAL  30          1HG1      VAL  30  10.411 -13.213  -2.470
 1366   2HG1  VAL  30          2HG1      VAL  30   9.836 -11.554  -2.298
 1367   3HG1  VAL  30          3HG1      VAL  30  11.543 -11.925  -2.054
 1368   1HG2  VAL  30          1HG2      VAL  30  12.045 -13.659  -4.699
 1369   2HG2  VAL  30          2HG2      VAL  30  12.951 -12.510  -3.714
 1370   3HG2  VAL  30          3HG2      VAL  30  12.619 -12.150  -5.409
 1371    H    GLU  31           H        GLU  31   7.376 -13.219  -5.320
 1372    HA   GLU  31           HA       GLU  31   5.242 -12.257  -5.042
 1373   1HB   GLU  31          1HB       GLU  31   6.751 -10.573  -3.007
 1374   2HB   GLU  31          2HB       GLU  31   5.014 -10.859  -3.041
 1375   1HG   GLU  31          1HG       GLU  31   6.250 -13.408  -3.124
 1376   2HG   GLU  31          2HG       GLU  31   7.080 -12.488  -1.869
 1377    H    GLU  32           H        GLU  32   4.227  -9.839  -4.889
 1378    HA   GLU  32           HA       GLU  32   5.824  -7.884  -6.430
 1379   1HB   GLU  32          1HB       GLU  32   4.944  -9.423  -8.120
 1380   2HB   GLU  32          2HB       GLU  32   3.320  -9.282  -7.444
 1381   1HG   GLU  32          1HG       GLU  32   3.005  -7.150  -8.290
 1382   2HG   GLU  32          2HG       GLU  32   4.727  -6.776  -8.265
 1383    H    CYS  33           H        CYS  33   4.648  -5.787  -6.589
 1384    HA   CYS  33           HA       CYS  33   2.219  -5.532  -4.897
 1385   1HB   CYS  33          1HB       CYS  33   3.413  -3.868  -3.474
 1386   2HB   CYS  33          2HB       CYS  33   4.170  -5.456  -3.386
 1387    HG   CYS  33           HG       CYS  33   6.141  -3.898  -3.868
 1388    H    LEU  34           H        LEU  34   1.268  -3.345  -5.060
 1389    HA   LEU  34           HA       LEU  34   1.837  -2.088  -7.700
 1390   1HB   LEU  34          1HB       LEU  34  -0.406  -1.673  -5.685
 1391   2HB   LEU  34          2HB       LEU  34  -0.389  -1.104  -7.354
 1392    HG   LEU  34           HG       LEU  34  -0.150  -4.032  -6.621
 1393   1HD1  LEU  34          1HD1      LEU  34  -2.667  -2.690  -7.605
 1394   2HD1  LEU  34          2HD1      LEU  34  -2.326  -2.839  -5.881
 1395   3HD1  LEU  34          3HD1      LEU  34  -2.486  -4.286  -6.876
 1396   1HD2  LEU  34          1HD2      LEU  34  -0.744  -4.370  -8.963
 1397   2HD2  LEU  34          2HD2      LEU  34   0.643  -3.284  -8.871
 1398   3HD2  LEU  34          3HD2      LEU  34  -0.966  -2.635  -9.187
 1399    H    CYS  35           H        CYS  35   1.442   0.458  -7.578
 1400    HA   CYS  35           HA       CYS  35   2.553   1.624  -5.076
 1401   1HB   CYS  35          1HB       CYS  35   3.799   1.683  -7.841
 1402   2HB   CYS  35          2HB       CYS  35   4.280   2.791  -6.557
 1403    HG   CYS  35           HG       CYS  35   4.470  -0.283  -6.053
 1404    H    ILE  36           H        ILE  36   2.561   4.041  -5.191
 1405    HA   ILE  36           HA       ILE  36   0.250   5.041  -6.806
 1406    HB   ILE  36           HB       ILE  36   1.699   6.251  -4.416
 1407   1HG1  ILE  36          1HG1      ILE  36  -0.948   4.788  -4.362
 1408   2HG1  ILE  36          2HG1      ILE  36   0.581   3.980  -4.016
 1409   1HG2  ILE  36          1HG2      ILE  36  -1.136   6.807  -5.250
 1410   2HG2  ILE  36          2HG2      ILE  36   0.194   7.630  -6.066
 1411   3HG2  ILE  36          3HG2      ILE  36  -0.029   7.824  -4.327
 1412   1HD1  ILE  36          1HD1      ILE  36  -0.910   5.190  -2.107
 1413   2HD1  ILE  36          2HD1      ILE  36   0.108   6.544  -2.594
 1414   3HD1  ILE  36          3HD1      ILE  36   0.845   5.054  -2.008
 1415    H    VAL  37           H        VAL  37   0.563   7.091  -7.955
 1416    HA   VAL  37           HA       VAL  37   3.439   7.853  -8.338
 1417    HB   VAL  37           HB       VAL  37   1.269   7.578 -10.451
 1418   1HG1  VAL  37          1HG1      VAL  37   2.834   9.209 -11.193
 1419   2HG1  VAL  37          2HG1      VAL  37   3.350   7.706 -11.957
 1420   3HG1  VAL  37          3HG1      VAL  37   4.200   8.310 -10.535
 1421   1HG2  VAL  37          1HG2      VAL  37   3.710   5.830 -10.080
 1422   2HG2  VAL  37          2HG2      VAL  37   2.311   5.539 -11.113
 1423   3HG2  VAL  37          3HG2      VAL  37   2.150   5.428  -9.362
 1424    H    ARG  38           H        ARG  38   3.660   9.958  -7.740
 1425    HA   ARG  38           HA       ARG  38   1.510  11.894  -8.496
 1426   1HB   ARG  38          1HB       ARG  38   2.781  11.296  -5.846
 1427   2HB   ARG  38          2HB       ARG  38   2.166  12.914  -6.161
 1428   1HG   ARG  38          1HG       ARG  38   0.525  10.396  -6.537
 1429   2HG   ARG  38          2HG       ARG  38   0.512  11.348  -5.053
 1430   1HD   ARG  38          1HD       ARG  38  -0.197  13.345  -6.363
 1431   2HD   ARG  38          2HD       ARG  38  -0.254  12.340  -7.820
 1432    HE   ARG  38           HE       ARG  38  -1.737  11.029  -5.768
 1433   1HH1  ARG  38          1HH1      ARG  38  -1.869  13.862  -7.787
 1434   2HH1  ARG  38          2HH1      ARG  38  -3.597  13.919  -7.783
 1435   1HH2  ARG  38          1HH2      ARG  38  -3.979  11.124  -5.777
 1436   2HH2  ARG  38          2HH2      ARG  38  -4.786  12.382  -6.654
 1437    H    HIS  39           H        HIS  39   2.316  13.976  -9.031
 1438    HA   HIS  39           HA       HIS  39   5.114  14.097  -9.825
 1439   1HB   HIS  39          1HB       HIS  39   2.898  15.079 -10.859
 1440   2HB   HIS  39          2HB       HIS  39   3.202  16.425  -9.760
 1441    HD1  HIS  39           HD1      HIS  39   5.205  17.956 -10.266
 1442    HD2  HIS  39           HD2      HIS  39   4.878  14.757 -12.920
 1443    HE1  HIS  39           HE1      HIS  39   6.820  18.427 -12.159
 1444    H    ASN  40           H        ASN  40   5.449  13.778  -7.190
 1445    HA   ASN  40           HA       ASN  40   6.327  14.763  -5.226
 1446   1HB   ASN  40          1HB       ASN  40   7.643  15.531  -7.472
 1447   2HB   ASN  40          2HB       ASN  40   7.161  17.113  -6.858
 1448   1HD2  ASN  40          1HD2      ASN  40   9.765  15.167  -6.791
 1449   2HD2  ASN  40          2HD2      ASN  40  10.347  15.465  -5.225
 1450    H    ASP  41           H        ASP  41   6.652  17.817  -5.113
 1451    HA   ASP  41           HA       ASP  41   5.431  19.693  -4.377
 1452   1HB   ASP  41          1HB       ASP  41   4.103  18.831  -6.518
 1453   2HB   ASP  41          2HB       ASP  41   2.890  18.395  -5.315
 1454    H    ASP  42           H        ASP  42   2.541  19.346  -3.453
 1455    HA   ASP  42           HA       ASP  42   2.892  18.961  -0.713
 1456   1HB   ASP  42          1HB       ASP  42   0.626  18.562  -2.659
 1457   2HB   ASP  42          2HB       ASP  42   0.377  18.187  -0.954
 1458    H    TRP  43           H        TRP  43   2.347  16.508  -3.209
 1459    HA   TRP  43           HA       TRP  43   1.989  14.246  -1.474
 1460   1HB   TRP  43          1HB       TRP  43   1.378  14.057  -3.765
 1461   2HB   TRP  43          2HB       TRP  43   2.894  14.762  -4.316
 1462    HD1  TRP  43           HD1      TRP  43   4.919  13.192  -4.693
 1463    HE1  TRP  43           HE1      TRP  43   5.233  10.635  -4.621
 1464    HE3  TRP  43           HE3      TRP  43   0.530  11.827  -2.470
 1465    HZ2  TRP  43           HZ2      TRP  43   3.811   8.323  -3.745
 1466    HZ3  TRP  43           HZ3      TRP  43   0.038   9.439  -2.025
 1467    HH2  TRP  43           HH2      TRP  43   1.674   7.686  -2.657
 1468    H    GLY  44           H        GLY  44   4.836  15.912  -2.764
 1469   1HA   GLY  44          1HA       GLY  44   6.790  13.963  -2.036
 1470   2HA   GLY  44          2HA       GLY  44   7.112  15.682  -2.258
 1471    H    THR  45           H        THR  45   5.979  17.014  -0.320
 1472    HA   THR  45           HA       THR  45   7.424  16.306   2.054
 1473    HB   THR  45           HB       THR  45   5.121  18.210   1.499
 1474    HG1  THR  45           HG1      THR  45   6.765  19.694   1.276
 1475   1HG2  THR  45          1HG2      THR  45   6.470  19.303   3.592
 1476   2HG2  THR  45          2HG2      THR  45   6.643  17.588   3.967
 1477   3HG2  THR  45          3HG2      THR  45   5.037  18.292   3.781
 1478    H    ALA  46           H        ALA  46   3.928  16.070   1.275
 1479    HA   ALA  46           HA       ALA  46   3.053  15.046   3.786
 1480   1HB   ALA  46          1HB       ALA  46   1.625  15.819   1.884
 1481   2HB   ALA  46          2HB       ALA  46   1.158  14.210   2.438
 1482   3HB   ALA  46          3HB       ALA  46   2.112  14.394   0.965
 1483    H    LEU  47           H        LEU  47   3.738  13.180   0.805
 1484    HA   LEU  47           HA       LEU  47   4.207  10.755   2.450
 1485   1HB   LEU  47          1HB       LEU  47   3.746  11.426  -0.457
 1486   2HB   LEU  47          2HB       LEU  47   4.403   9.851  -0.017
 1487    HG   LEU  47           HG       LEU  47   1.952   9.739  -0.184
 1488   1HD1  LEU  47          1HD1      LEU  47   1.736   8.411   1.665
 1489   2HD1  LEU  47          2HD1      LEU  47   2.307   9.669   2.760
 1490   3HD1  LEU  47          3HD1      LEU  47   3.464   8.723   1.825
 1491   1HD2  LEU  47          1HD2      LEU  47   0.524  11.213   0.853
 1492   2HD2  LEU  47          2HD2      LEU  47   1.911  12.285   0.656
 1493   3HD2  LEU  47          3HD2      LEU  47   1.623  11.490   2.205
 1494    H    GLU  48           H        GLU  48   6.200  12.917   2.566
 1495    HA   GLU  48           HA       GLU  48   8.441  12.327   0.839
 1496   1HB   GLU  48          1HB       GLU  48   7.670  14.203   2.793
 1497   2HB   GLU  48          2HB       GLU  48   9.119  13.442   3.443
 1498   1HG   GLU  48          1HG       GLU  48   9.693  13.844   0.739
 1499   2HG   GLU  48          2HG       GLU  48   8.860  15.315   1.233
 1500    H    ASP  49           H        ASP  49   7.898   9.846   1.398
 1501    HA   ASP  49           HA       ASP  49  10.151   8.729   2.741
 1502   1HB   ASP  49          1HB       ASP  49   8.230   9.736   4.492
 1503   2HB   ASP  49          2HB       ASP  49   7.822   8.024   4.400
 1504    H    TYR  50           H        TYR  50  10.203   6.464   2.306
 1505    HA   TYR  50           HA       TYR  50   9.544   4.460   1.221
 1506   1HB   TYR  50          1HB       TYR  50   6.698   5.321   1.799
 1507   2HB   TYR  50          2HB       TYR  50   7.368   3.694   1.815
 1508    HD1  TYR  50           HD1      TYR  50   6.261   6.320   3.846
 1509    HD2  TYR  50           HD2      TYR  50   9.396   3.390   3.576
 1510    HE1  TYR  50           HE1      TYR  50   6.653   6.511   6.287
 1511    HE2  TYR  50           HE2      TYR  50   9.785   3.584   6.018
 1512    HH   TYR  50           HH       TYR  50   8.237   4.326   8.073
 1513    H    LEU  51           H        LEU  51   9.589   7.137  -0.216
 1514    HA   LEU  51           HA       LEU  51   7.534   6.644  -2.326
 1515   1HB   LEU  51          1HB       LEU  51   8.346   8.875  -0.857
 1516   2HB   LEU  51          2HB       LEU  51   9.126   9.114  -2.419
 1517    HG   LEU  51           HG       LEU  51   6.984   8.906  -3.569
 1518   1HD1  LEU  51          1HD1      LEU  51   6.173   7.821  -0.958
 1519   2HD1  LEU  51          2HD1      LEU  51   5.481   7.537  -2.555
 1520   3HD1  LEU  51          3HD1      LEU  51   5.019   8.968  -1.635
 1521   1HD2  LEU  51          1HD2      LEU  51   5.870  10.714  -1.668
 1522   2HD2  LEU  51          2HD2      LEU  51   6.721  11.101  -3.163
 1523   3HD2  LEU  51          3HD2      LEU  51   7.619  10.940  -1.655
 1524    H    PHE  52           H        PHE  52   8.341   5.464  -4.007
 1525    HA   PHE  52           HA       PHE  52  11.197   5.653  -4.776
 1526   1HB   PHE  52          1HB       PHE  52   8.792   4.010  -5.628
 1527   2HB   PHE  52          2HB       PHE  52  10.347   3.890  -6.450
 1528    HD1  PHE  52           HD1      PHE  52   8.447   3.060  -3.448
 1529    HD2  PHE  52           HD2      PHE  52  12.365   3.108  -5.207
 1530    HE1  PHE  52           HE1      PHE  52   9.257   1.515  -1.685
 1531    HE2  PHE  52           HE2      PHE  52  13.175   1.563  -3.444
 1532    HZ   PHE  52           HZ       PHE  52  11.621   0.767  -1.683
 1533    H    SER  53           H        SER  53  11.612   7.512  -5.974
 1534    HA   SER  53           HA       SER  53   9.548   8.383  -7.947
 1535   1HB   SER  53          1HB       SER  53  10.359   9.897  -6.102
 1536   2HB   SER  53          2HB       SER  53  11.971   9.826  -6.814
 1537    HG   SER  53           HG       SER  53  10.922  11.629  -7.601
 1538    H    ARG  54           H        ARG  54  10.066   8.665 -10.107
 1539    HA   ARG  54           HA       ARG  54  12.798   7.772 -10.965
 1540   1HB   ARG  54          1HB       ARG  54  11.590   6.921 -12.985
 1541   2HB   ARG  54          2HB       ARG  54  10.999   6.176 -11.500
 1542   1HG   ARG  54          1HG       ARG  54   8.987   7.327 -11.563
 1543   2HG   ARG  54          2HG       ARG  54   9.672   8.684 -12.457
 1544   1HD   ARG  54          1HD       ARG  54  10.002   6.639 -14.260
 1545   2HD   ARG  54          2HD       ARG  54   8.476   6.184 -13.478
 1546    HE   ARG  54           HE       ARG  54   8.163   8.886 -13.879
 1547   1HH1  ARG  54          1HH1      ARG  54   9.125   6.259 -15.952
 1548   2HH1  ARG  54          2HH1      ARG  54   8.488   7.005 -17.376
 1549   1HH2  ARG  54          1HH2      ARG  54   7.344   9.833 -15.741
 1550   2HH2  ARG  54          2HH2      ARG  54   7.486   9.012 -17.260
 1551    H    LYS  55           H        LYS  55  12.755   8.549 -13.578
 1552    HA   LYS  55           HA       LYS  55  12.996  11.437 -13.389
 1553   1HB   LYS  55          1HB       LYS  55  14.217   9.504 -14.793
 1554   2HB   LYS  55          2HB       LYS  55  13.008   9.959 -15.994
 1555   1HG   LYS  55          1HG       LYS  55  14.903  11.348 -16.429
 1556   2HG   LYS  55          2HG       LYS  55  13.739  12.380 -15.599
 1557   1HD   LYS  55          1HD       LYS  55  15.510  12.862 -14.243
 1558   2HD   LYS  55          2HD       LYS  55  15.090  11.331 -13.475
 1559   1HE   LYS  55          1HE       LYS  55  16.664  10.598 -15.682
 1560   2HE   LYS  55          2HE       LYS  55  17.479  12.012 -14.988
 1561   1HZ   LYS  55          1HZ       LYS  55  18.035   9.829 -13.905
 1562   2HZ   LYS  55          2HZ       LYS  55  16.430   9.764 -13.354
 1563   3HZ   LYS  55          3HZ       LYS  55  17.452  11.023 -12.847
 1564    H    ASN  56           H        ASN  56  10.640  11.714 -12.805
 1565    HA   ASN  56           HA       ASN  56   8.560  11.270 -14.761
 1566   1HB   ASN  56          1HB       ASN  56   8.726  14.100 -14.776
 1567   2HB   ASN  56          2HB       ASN  56  10.367  13.522 -15.060
 1568   1HD2  ASN  56          1HD2      ASN  56   6.994  12.930 -16.200
 1569   2HD2  ASN  56          2HD2      ASN  56   7.441  12.575 -17.799
 1570    H    MET  57           H        MET  57   9.024  11.057 -11.859
 1571    HA   MET  57           HA       MET  57   7.786  13.175 -10.386
 1572   1HB   MET  57          1HB       MET  57   5.509  12.160 -10.164
 1573   2HB   MET  57          2HB       MET  57   5.854  12.639 -11.822
 1574   1HG   MET  57          1HG       MET  57   6.683   9.897 -11.118
 1575   2HG   MET  57          2HG       MET  57   4.944  10.171 -11.105
 1576   1HE   MET  57          1HE       MET  57   3.682  11.037 -12.510
 1577   2HE   MET  57          2HE       MET  57   3.612  10.179 -14.049
 1578   3HE   MET  57          3HE       MET  57   4.074  11.881 -14.008
 1579    H    SER  58           H        SER  58   6.580  11.999  -8.325
 1580    HA   SER  58           HA       SER  58   8.518   9.908  -7.410
 1581   1HB   SER  58          1HB       SER  58   8.308  10.906  -5.257
 1582   2HB   SER  58          2HB       SER  58   8.337  12.274  -6.369
 1583    HG   SER  58           HG       SER  58   6.621  12.250  -4.736
 1584    H    ALA  59           H        ALA  59   7.685   7.939  -6.751
 1585    HA   ALA  59           HA       ALA  59   4.698   7.701  -6.627
 1586   1HB   ALA  59          1HB       ALA  59   5.864   5.177  -7.072
 1587   2HB   ALA  59          2HB       ALA  59   6.831   6.295  -8.033
 1588   3HB   ALA  59          3HB       ALA  59   5.088   6.196  -8.285
 1589    H    MET  60           H        MET  60   4.079   5.647  -5.268
 1590    HA   MET  60           HA       MET  60   5.767   5.622  -2.784
 1591   1HB   MET  60          1HB       MET  60   3.203   6.559  -3.178
 1592   2HB   MET  60          2HB       MET  60   2.902   4.917  -2.608
 1593   1HG   MET  60          1HG       MET  60   5.008   6.157  -1.052
 1594   2HG   MET  60          2HG       MET  60   3.563   7.168  -1.040
 1595   1HE   MET  60          1HE       MET  60   3.568   5.585   2.277
 1596   2HE   MET  60          2HE       MET  60   2.247   6.541   1.605
 1597   3HE   MET  60          3HE       MET  60   3.917   6.946   1.211
 1598    H    ALA  61           H        ALA  61   5.698   3.586  -1.555
 1599    HA   ALA  61           HA       ALA  61   5.626   1.222  -3.324
 1600   1HB   ALA  61          1HB       ALA  61   6.175   0.676  -0.546
 1601   2HB   ALA  61          2HB       ALA  61   7.032   2.142  -1.023
 1602   3HB   ALA  61          3HB       ALA  61   7.296   0.640  -1.908
 1603    H    LEU  62           H        LEU  62   3.447   0.681  -3.649
 1604    HA   LEU  62           HA       LEU  62   1.326  -0.207  -3.137
 1605   1HB   LEU  62          1HB       LEU  62   0.954   0.866  -0.520
 1606   2HB   LEU  62          2HB       LEU  62   1.885   2.049  -1.439
 1607    HG   LEU  62           HG       LEU  62   0.206   1.910  -3.269
 1608   1HD1  LEU  62          1HD1      LEU  62  -2.023   0.786  -2.090
 1609   2HD1  LEU  62          2HD1      LEU  62  -0.732  -0.299  -1.572
 1610   3HD1  LEU  62          3HD1      LEU  62  -1.004  -0.009  -3.290
 1611   1HD2  LEU  62          1HD2      LEU  62  -1.365   3.312  -2.226
 1612   2HD2  LEU  62          2HD2      LEU  62   0.050   3.470  -1.184
 1613   3HD2  LEU  62          3HD2      LEU  62  -1.287   2.425  -0.705
 1614    H    GLY  63           H        GLY  63   2.393  -2.343  -2.910
 1615   1HA   GLY  63          1HA       GLY  63   1.613  -3.679  -0.517
 1616   2HA   GLY  63          2HA       GLY  63   2.634  -4.378  -1.770
 1617    H    PHE  64           H        PHE  64   4.426  -5.173  -0.764
 1618    HA   PHE  64           HA       PHE  64   5.524  -3.810   1.619
 1619   1HB   PHE  64          1HB       PHE  64   6.338  -6.320   0.106
 1620   2HB   PHE  64          2HB       PHE  64   6.913  -5.855   1.707
 1621    HD1  PHE  64           HD1      PHE  64   4.421  -7.653  -0.092
 1622    HD2  PHE  64           HD2      PHE  64   5.070  -5.414   3.516
 1623    HE1  PHE  64           HE1      PHE  64   2.439  -8.733   0.935
 1624    HE2  PHE  64           HE2      PHE  64   3.088  -6.494   4.543
 1625    HZ   PHE  64           HZ       PHE  64   1.773  -8.154   3.252
 1626    H    GLY  65           H        GLY  65   5.812  -2.195  -0.667
 1627   1HA   GLY  65          1HA       GLY  65   8.574  -2.596  -1.649
 1628   2HA   GLY  65          2HA       GLY  65   7.449  -1.361  -2.212
 1629    H    ALA  66           H        ALA  66   6.859  -0.811   0.773
 1630    HA   ALA  66           HA       ALA  66   8.998   1.206   1.075
 1631   1HB   ALA  66          1HB       ALA  66   6.676   1.872   1.325
 1632   2HB   ALA  66          2HB       ALA  66   7.430   1.952   2.918
 1633   3HB   ALA  66          3HB       ALA  66   6.391   0.589   2.501
 1634    H    ILE  67           H        ILE  67   7.608  -1.520   2.937
 1635    HA   ILE  67           HA       ILE  67   9.081  -1.352   5.304
 1636    HB   ILE  67           HB       ILE  67   8.840  -3.868   5.290
 1637   1HG1  ILE  67          1HG1      ILE  67   7.262  -4.222   2.989
 1638   2HG1  ILE  67          2HG1      ILE  67   8.694  -3.354   2.442
 1639   1HG2  ILE  67          1HG2      ILE  67   6.932  -1.995   5.578
 1640   2HG2  ILE  67          2HG2      ILE  67   6.582  -3.721   5.675
 1641   3HG2  ILE  67          3HG2      ILE  67   6.277  -2.842   4.176
 1642   1HD1  ILE  67          1HD1      ILE  67  10.110  -5.037   3.640
 1643   2HD1  ILE  67          2HD1      ILE  67   9.145  -5.743   2.343
 1644   3HD1  ILE  67          3HD1      ILE  67   8.643  -5.939   4.023
 1645    H    PHE  68           H        PHE  68  10.210  -2.220   2.109
 1646    HA   PHE  68           HA       PHE  68  12.562  -3.636   2.564
 1647   1HB   PHE  68          1HB       PHE  68  11.688  -1.470   0.659
 1648   2HB   PHE  68          2HB       PHE  68  13.320  -2.119   0.543
 1649    HD1  PHE  68           HD1      PHE  68  10.427  -2.379  -1.089
 1650    HD2  PHE  68           HD2      PHE  68  13.012  -4.940   1.192
 1651    HE1  PHE  68           HE1      PHE  68   9.538  -4.351  -2.298
 1652    HE2  PHE  68           HE2      PHE  68  12.122  -6.914  -0.018
 1653    HZ   PHE  68           HZ       PHE  68  10.384  -6.619  -1.763
 1654    H    ASN  69           H        ASN  69  14.687  -3.070   3.185
 1655    HA   ASN  69           HA       ASN  69  15.004  -0.323   4.355
 1656   1HB   ASN  69          1HB       ASN  69  16.051  -3.053   5.181
 1657   2HB   ASN  69          2HB       ASN  69  16.570  -1.546   5.936
 1658   1HD2  ASN  69          1HD2      ASN  69  14.339  -4.039   6.254
 1659   2HD2  ASN  69          2HD2      ASN  69  13.169  -3.232   7.182
 1660    H    HIS  70           H        HIS  70  17.478   0.179   4.585
 1661    HA   HIS  70           HA       HIS  70  18.745  -0.376   1.940
 1662   1HB   HIS  70          1HB       HIS  70  18.235   1.941   3.243
 1663   2HB   HIS  70          2HB       HIS  70  19.836   1.596   3.899
 1664    HD1  HIS  70           HD1      HIS  70  19.289   3.949   1.878
 1665    HD2  HIS  70           HD2      HIS  70  20.728   0.183   0.819
 1666    HE1  HIS  70           HE1      HIS  70  20.491   4.237  -0.333
 1667    H    SER  71           H        SER  71  20.074  -2.165   2.086
 1668    HA   SER  71           HA       SER  71  21.903  -2.328   4.461
 1669   1HB   SER  71          1HB       SER  71  19.911  -4.021   3.994
 1670   2HB   SER  71          2HB       SER  71  21.047  -4.710   2.835
 1671    HG   SER  71           HG       SER  71  21.478  -4.293   5.605
 1672    H    LYS  72           H        LYS  72  24.075  -2.885   4.005
 1673    HA   LYS  72           HA       LYS  72  25.204  -2.089   1.523
 1674   1HB   LYS  72          1HB       LYS  72  26.203  -3.962   3.702
 1675   2HB   LYS  72          2HB       LYS  72  27.229  -3.227   2.471
 1676   1HG   LYS  72          1HG       LYS  72  25.548  -1.711   4.493
 1677   2HG   LYS  72          2HG       LYS  72  27.295  -1.934   4.579
 1678   1HD   LYS  72          1HD       LYS  72  27.245  -0.911   2.148
 1679   2HD   LYS  72          2HD       LYS  72  25.687  -0.267   2.667
 1680   1HE   LYS  72          1HE       LYS  72  26.821   1.409   3.697
 1681   2HE   LYS  72          2HE       LYS  72  27.478   0.199   4.816
 1682   1HZ   LYS  72          1HZ       LYS  72  29.217  -0.294   3.225
 1683   2HZ   LYS  72          2HZ       LYS  72  29.239   1.366   3.582
 1684   3HZ   LYS  72          3HZ       LYS  72  28.573   0.820   2.117
 1685    H    ASP  73           H        ASP  73  25.291  -3.155  -0.417
 1686    HA   ASP  73           HA       ASP  73  25.062  -4.896  -2.000
 1687   1HB   ASP  73          1HB       ASP  73  26.478  -6.001   0.406
 1688   2HB   ASP  73          2HB       ASP  73  26.020  -7.122  -0.876
 1689    HA   PRO  74           HA       PRO  74  21.132  -6.200   0.211
 1690   1HB   PRO  74          1HB       PRO  74  19.561  -5.568  -2.020
 1691   2HB   PRO  74          2HB       PRO  74  19.801  -4.519  -0.612
 1692   1HG   PRO  74          1HG       PRO  74  21.090  -4.439  -3.284
 1693   2HG   PRO  74          2HG       PRO  74  20.655  -3.112  -2.198
 1694   1HD   PRO  74          1HD       PRO  74  23.201  -3.984  -2.515
 1695   2HD   PRO  74          2HD       PRO  74  22.603  -3.291  -0.993
 1696    H    ASN  75           H        ASN  75  19.466  -7.815  -0.801
 1697    HA   ASN  75           HA       ASN  75  20.936  -9.640  -2.667
 1698   1HB   ASN  75          1HB       ASN  75  19.671 -11.429  -1.422
 1699   2HB   ASN  75          2HB       ASN  75  20.750 -10.498  -0.384
 1700   1HD2  ASN  75          1HD2      ASN  75  19.792  -9.653   1.474
 1701   2HD2  ASN  75          2HD2      ASN  75  18.125  -9.416   1.688
 1702    H    ALA  76           H        ALA  76  18.097  -7.754  -2.211
 1703    HA   ALA  76           HA       ALA  76  16.807  -9.147  -4.531
 1704   1HB   ALA  76          1HB       ALA  76  15.102  -7.723  -2.562
 1705   2HB   ALA  76          2HB       ALA  76  15.925  -9.152  -1.937
 1706   3HB   ALA  76          3HB       ALA  76  14.853  -9.290  -3.331
 1707    H    ARG  77           H        ARG  77  15.926  -7.752  -6.095
 1708    HA   ARG  77           HA       ARG  77  16.349  -4.817  -5.624
 1709   1HB   ARG  77          1HB       ARG  77  17.966  -5.749  -7.188
 1710   2HB   ARG  77          2HB       ARG  77  16.691  -6.562  -8.090
 1711   1HG   ARG  77          1HG       ARG  77  15.801  -4.482  -8.881
 1712   2HG   ARG  77          2HG       ARG  77  16.783  -3.556  -7.745
 1713   1HD   ARG  77          1HD       ARG  77  18.778  -4.814  -9.018
 1714   2HD   ARG  77          2HD       ARG  77  17.579  -4.842 -10.325
 1715    HE   ARG  77           HE       ARG  77  18.883  -2.461  -9.251
 1716   1HH1  ARG  77          1HH1      ARG  77  16.005  -3.725 -10.746
 1717   2HH1  ARG  77          2HH1      ARG  77  15.550  -2.198 -11.418
 1718   1HH2  ARG  77          1HH2      ARG  77  18.271  -0.489 -10.133
 1719   2HH2  ARG  77          2HH2      ARG  77  16.822  -0.378 -11.074
 1720    H    HIS  78           H        HIS  78  14.869  -3.459  -7.058
 1721    HA   HIS  78           HA       HIS  78  12.169  -4.750  -7.188
 1722   1HB   HIS  78          1HB       HIS  78  11.381  -2.404  -6.890
 1723   2HB   HIS  78          2HB       HIS  78  12.478  -2.886  -5.596
 1724    HD1  HIS  78           HD1      HIS  78  14.518  -1.462  -5.262
 1725    HD2  HIS  78           HD2      HIS  78  12.755  -0.801  -8.981
 1726    HE1  HIS  78           HE1      HIS  78  15.769   0.473  -6.314
 1727    H    GLU  79           H        GLU  79  10.769  -4.082  -8.980
 1728    HA   GLU  79           HA       GLU  79  12.239  -3.051 -11.382
 1729   1HB   GLU  79          1HB       GLU  79  11.792  -5.635 -11.084
 1730   2HB   GLU  79          2HB       GLU  79  10.136  -5.209 -11.513
 1731   1HG   GLU  79          1HG       GLU  79  10.984  -4.105 -13.575
 1732   2HG   GLU  79          2HG       GLU  79  12.615  -4.637 -13.162
 1733    H    LEU  80           H        LEU  80  11.044  -1.519 -12.535
 1734    HA   LEU  80           HA       LEU  80   8.203  -1.104 -11.659
 1735   1HB   LEU  80          1HB       LEU  80  10.490   0.695 -12.413
 1736   2HB   LEU  80          2HB       LEU  80   8.844   1.263 -12.683
 1737    HG   LEU  80           HG       LEU  80   9.502   0.038 -10.033
 1738   1HD1  LEU  80          1HD1      LEU  80   9.864   2.856  -9.841
 1739   2HD1  LEU  80          2HD1      LEU  80  10.920   2.280 -11.130
 1740   3HD1  LEU  80          3HD1      LEU  80  11.047   1.589  -9.513
 1741   1HD2  LEU  80          1HD2      LEU  80   7.897   1.896  -9.352
 1742   2HD2  LEU  80          2HD2      LEU  80   7.214   0.656 -10.404
 1743   3HD2  LEU  80          3HD2      LEU  80   7.679   2.221 -11.072
 1744    H    THR  81           H        THR  81   6.628  -0.836 -13.276
 1745    HA   THR  81           HA       THR  81   6.892  -2.168 -15.742
 1746    HB   THR  81           HB       THR  81   4.830  -0.712 -16.292
 1747    HG1  THR  81           HG1      THR  81   4.097   0.478 -14.462
 1748   1HG2  THR  81          1HG2      THR  81   3.617  -1.676 -14.158
 1749   2HG2  THR  81          2HG2      THR  81   5.174  -2.453 -13.870
 1750   3HG2  THR  81          3HG2      THR  81   4.288  -2.779 -15.360
 1751    H    ALA  82           H        ALA  82   6.264   1.336 -15.735
 1752    HA   ALA  82           HA       ALA  82   8.680   1.930 -17.292
 1753   1HB   ALA  82          1HB       ALA  82   6.813   2.760 -19.115
 1754   2HB   ALA  82          2HB       ALA  82   6.032   1.313 -18.479
 1755   3HB   ALA  82          3HB       ALA  82   7.636   1.203 -19.203
 1756    H    GLY  83           H        GLY  83   5.337   3.209 -16.966
 1757   1HA   GLY  83          1HA       GLY  83   6.520   5.874 -16.372
 1758   2HA   GLY  83          2HA       GLY  83   4.858   5.591 -16.886
 1759    H    LEU  84           H        LEU  84   6.689   3.958 -14.302
 1760    HA   LEU  84           HA       LEU  84   6.242   3.769 -11.993
 1761   1HB   LEU  84          1HB       LEU  84   6.159   6.446 -12.722
 1762   2HB   LEU  84          2HB       LEU  84   4.610   6.230 -11.912
 1763    HG   LEU  84           HG       LEU  84   5.723   5.349  -9.926
 1764   1HD1  LEU  84          1HD1      LEU  84   7.945   5.090 -11.800
 1765   2HD1  LEU  84          2HD1      LEU  84   7.698   4.297 -10.243
 1766   3HD1  LEU  84          3HD1      LEU  84   8.434   5.899 -10.311
 1767   1HD2  LEU  84          1HD2      LEU  84   7.426   7.484  -9.743
 1768   2HD2  LEU  84          2HD2      LEU  84   5.682   7.590  -9.507
 1769   3HD2  LEU  84          3HD2      LEU  84   6.385   7.990 -11.073
 1770    H    LYS  85           H        LYS  85   4.772   2.231 -11.422
 1771    HA   LYS  85           HA       LYS  85   1.982   2.809 -11.052
 1772   1HB   LYS  85          1HB       LYS  85   2.920   1.864 -13.673
 1773   2HB   LYS  85          2HB       LYS  85   1.648   0.846 -12.996
 1774   1HG   LYS  85          1HG       LYS  85   0.074   2.446 -13.290
 1775   2HG   LYS  85          2HG       LYS  85   1.125   3.705 -12.644
 1776   1HD   LYS  85          1HD       LYS  85   2.363   3.210 -15.013
 1777   2HD   LYS  85          2HD       LYS  85   0.692   2.858 -15.453
 1778   1HE   LYS  85          1HE       LYS  85   0.921   5.295 -13.839
 1779   2HE   LYS  85          2HE       LYS  85   1.819   5.397 -15.366
 1780   1HZ   LYS  85          1HZ       LYS  85  -1.016   4.556 -15.017
 1781   2HZ   LYS  85          2HZ       LYS  85  -0.166   4.479 -16.486
 1782   3HZ   LYS  85          3HZ       LYS  85  -0.473   5.983 -15.761
 1783    H    ARG  86           H        ARG  86   3.222  -0.238 -12.377
 1784    HA   ARG  86           HA       ARG  86   2.852  -1.471  -9.669
 1785   1HB   ARG  86          1HB       ARG  86   2.539  -2.489 -12.513
 1786   2HB   ARG  86          2HB       ARG  86   2.504  -3.557 -11.111
 1787   1HG   ARG  86          1HG       ARG  86   0.262  -3.115 -11.167
 1788   2HG   ARG  86          2HG       ARG  86   0.741  -1.650 -10.310
 1789   1HD   ARG  86          1HD       ARG  86   0.237  -0.323 -12.096
 1790   2HD   ARG  86          2HD       ARG  86   0.992  -1.445 -13.244
 1791    HE   ARG  86           HE       ARG  86  -1.401  -2.611 -12.141
 1792   1HH1  ARG  86          1HH1      ARG  86  -0.290  -0.197 -14.391
 1793   2HH1  ARG  86          2HH1      ARG  86  -1.707  -0.305 -15.376
 1794   1HH2  ARG  86          1HH2      ARG  86  -3.231  -2.732 -13.436
 1795   2HH2  ARG  86          2HH2      ARG  86  -3.361  -1.729 -14.841
 1796    H    MET  87           H        MET  87   4.586  -2.679  -8.847
 1797    HA   MET  87           HA       MET  87   6.931  -3.089 -10.640
 1798   1HB   MET  87          1HB       MET  87   8.348  -2.296  -8.663
 1799   2HB   MET  87          2HB       MET  87   7.411  -1.045  -9.472
 1800   1HG   MET  87          1HG       MET  87   7.011  -0.621  -7.200
 1801   2HG   MET  87          2HG       MET  87   5.596  -1.555  -7.669
 1802   1HE   MET  87          1HE       MET  87   9.275  -2.946  -5.334
 1803   2HE   MET  87          2HE       MET  87   9.046  -1.466  -6.267
 1804   3HE   MET  87          3HE       MET  87   9.327  -2.997  -7.096
 1805    H    ARG  88           H        ARG  88   8.576  -4.588  -9.527
 1806    HA   ARG  88           HA       ARG  88   7.158  -6.582  -7.784
 1807   1HB   ARG  88          1HB       ARG  88   9.083  -7.191 -10.055
 1808   2HB   ARG  88          2HB       ARG  88   8.054  -8.334  -9.196
 1809   1HG   ARG  88          1HG       ARG  88   6.634  -8.023 -10.948
 1810   2HG   ARG  88          2HG       ARG  88   6.205  -6.531 -10.111
 1811   1HD   ARG  88          1HD       ARG  88   7.306  -5.218 -11.641
 1812   2HD   ARG  88          2HD       ARG  88   8.629  -6.385 -11.827
 1813    HE   ARG  88           HE       ARG  88   6.227  -6.290 -13.447
 1814   1HH1  ARG  88          1HH1      ARG  88   8.533  -8.434 -11.963
 1815   2HH1  ARG  88          2HH1      ARG  88   8.271  -9.693 -13.119
 1816   1HH2  ARG  88          1HH2      ARG  88   5.905  -7.938 -14.934
 1817   2HH2  ARG  88          2HH2      ARG  88   6.795  -9.417 -14.789
 1818    H    ILE  89           H        ILE  89   8.971  -8.272  -7.054
 1819    HA   ILE  89           HA       ILE  89  11.455  -6.772  -6.296
 1820    HB   ILE  89           HB       ILE  89   9.660  -8.564  -4.616
 1821   1HG1  ILE  89          1HG1      ILE  89  10.349  -5.848  -3.704
 1822   2HG1  ILE  89          2HG1      ILE  89   9.388  -5.888  -5.182
 1823   1HG2  ILE  89          1HG2      ILE  89  12.126  -8.837  -4.174
 1824   2HG2  ILE  89          2HG2      ILE  89  11.222  -8.202  -2.800
 1825   3HG2  ILE  89          3HG2      ILE  89  12.194  -7.116  -3.793
 1826   1HD1  ILE  89          1HD1      ILE  89   8.260  -5.984  -2.746
 1827   2HD1  ILE  89          2HD1      ILE  89   8.553  -7.708  -2.974
 1828   3HD1  ILE  89          3HD1      ILE  89   7.563  -6.822  -4.133
 1829    H    PHE  90           H        PHE  90  13.003  -7.884  -7.485
 1830    HA   PHE  90           HA       PHE  90  12.747 -10.833  -7.797
 1831   1HB   PHE  90          1HB       PHE  90  14.378  -8.602  -9.040
 1832   2HB   PHE  90          2HB       PHE  90  14.794 -10.290  -9.328
 1833    HD1  PHE  90           HD1      PHE  90  13.490 -11.667 -10.787
 1834    HD2  PHE  90           HD2      PHE  90  12.137  -7.730  -9.729
 1835    HE1  PHE  90           HE1      PHE  90  11.746 -11.794 -12.545
 1836    HE2  PHE  90           HE2      PHE  90  10.393  -7.856 -11.487
 1837    HZ   PHE  90           HZ       PHE  90  10.197  -9.888 -12.895
 1838    H    THR  91           H        THR  91  15.298 -11.682  -7.966
 1839    HA   THR  91           HA       THR  91  16.607 -10.899  -5.382
 1840    HB   THR  91           HB       THR  91  17.163 -13.393  -5.271
 1841    HG1  THR  91           HG1      THR  91  15.806 -14.700  -6.577
 1842   1HG2  THR  91          1HG2      THR  91  14.708 -12.001  -4.709
 1843   2HG2  THR  91          2HG2      THR  91  15.442 -13.336  -3.822
 1844   3HG2  THR  91          3HG2      THR  91  14.340 -13.667  -5.157
 1845    H    ILE  92           H        ILE  92  18.297  -9.698  -6.336
 1846    HA   ILE  92           HA       ILE  92  19.697 -10.344  -8.726
 1847    HB   ILE  92           HB       ILE  92  21.378  -8.782  -7.771
 1848   1HG1  ILE  92          1HG1      ILE  92  19.731  -8.955  -5.235
 1849   2HG1  ILE  92          2HG1      ILE  92  21.266  -9.792  -5.462
 1850   1HG2  ILE  92          1HG2      ILE  92  18.722  -7.741  -6.839
 1851   2HG2  ILE  92          2HG2      ILE  92  18.942  -8.120  -8.547
 1852   3HG2  ILE  92          3HG2      ILE  92  19.975  -6.921  -7.769
 1853   1HD1  ILE  92          1HD1      ILE  92  22.496  -7.833  -5.430
 1854   2HD1  ILE  92          2HD1      ILE  92  21.171  -7.369  -4.361
 1855   3HD1  ILE  92          3HD1      ILE  92  21.159  -6.862  -6.051
 1856    H    LYS  93           H        LYS  93  19.817 -11.847  -5.609
 1857    HA   LYS  93           HA       LYS  93  22.012 -13.614  -6.552
 1858   1HB   LYS  93          1HB       LYS  93  23.230 -13.215  -4.423
 1859   2HB   LYS  93          2HB       LYS  93  23.035 -11.714  -5.325
 1860   1HG   LYS  93          1HG       LYS  93  21.147 -11.070  -3.942
 1861   2HG   LYS  93          2HG       LYS  93  21.171 -12.627  -3.115
 1862   1HD   LYS  93          1HD       LYS  93  22.270 -10.876  -1.755
 1863   2HD   LYS  93          2HD       LYS  93  23.416 -12.130  -2.228
 1864   1HE   LYS  93          1HE       LYS  93  23.208  -9.931  -4.182
 1865   2HE   LYS  93          2HE       LYS  93  23.836  -9.434  -2.599
 1866   1HZ   LYS  93          1HZ       LYS  93  25.517 -11.029  -2.685
 1867   2HZ   LYS  93          2HZ       LYS  93  25.482 -10.432  -4.274
 1868   3HZ   LYS  93          3HZ       LYS  93  24.754 -11.923  -3.911
 1869    HA   PRO  94           HA       PRO  94  19.636 -16.794  -4.672
 1870   1HB   PRO  94          1HB       PRO  94  22.112 -17.804  -3.360
 1871   2HB   PRO  94          2HB       PRO  94  21.024 -18.631  -4.489
 1872   1HG   PRO  94          1HG       PRO  94  23.454 -17.763  -5.221
 1873   2HG   PRO  94          2HG       PRO  94  22.080 -17.779  -6.334
 1874   1HD   PRO  94          1HD       PRO  94  23.355 -15.486  -4.935
 1875   2HD   PRO  94          2HD       PRO  94  22.578 -15.551  -6.530
 1876    H    ILE  95           H        ILE  95  18.561 -17.085  -2.688
 1877    HA   ILE  95           HA       ILE  95  19.744 -15.664  -0.323
 1878    HB   ILE  95           HB       ILE  95  16.843 -15.894  -1.205
 1879   1HG1  ILE  95          1HG1      ILE  95  18.778 -13.559  -1.313
 1880   2HG1  ILE  95          2HG1      ILE  95  18.172 -14.458  -2.705
 1881   1HG2  ILE  95          1HG2      ILE  95  18.013 -14.062   0.894
 1882   2HG2  ILE  95          2HG2      ILE  95  17.412 -15.672   1.293
 1883   3HG2  ILE  95          3HG2      ILE  95  16.317 -14.464   0.620
 1884   1HD1  ILE  95          1HD1      ILE  95  16.784 -12.528  -2.567
 1885   2HD1  ILE  95          2HD1      ILE  95  16.625 -12.674  -0.816
 1886   3HD1  ILE  95          3HD1      ILE  95  15.820 -13.833  -1.875
 1887    H    ALA  96           H        ALA  96  19.612 -16.747   1.642
 1888    HA   ALA  96           HA       ALA  96  18.871 -19.602   1.554
 1889   1HB   ALA  96          1HB       ALA  96  20.938 -19.094   2.605
 1890   2HB   ALA  96          2HB       ALA  96  19.840 -19.348   3.961
 1891   3HB   ALA  96          3HB       ALA  96  20.258 -17.709   3.460
 1892    H    ILE  97           H        ILE  97  17.367 -20.549   3.040
 1893    HA   ILE  97           HA       ILE  97  14.882 -19.379   3.404
 1894    HB   ILE  97           HB       ILE  97  16.391 -21.395   5.107
 1895   1HG1  ILE  97          1HG1      ILE  97  14.453 -22.650   3.529
 1896   2HG1  ILE  97          2HG1      ILE  97  15.162 -21.433   2.467
 1897   1HG2  ILE  97          1HG2      ILE  97  13.885 -20.184   5.625
 1898   2HG2  ILE  97          2HG2      ILE  97  14.576 -21.597   6.423
 1899   3HG2  ILE  97          3HG2      ILE  97  13.537 -21.801   5.013
 1900   1HD1  ILE  97          1HD1      ILE  97  17.368 -22.494   3.774
 1901   2HD1  ILE  97          2HD1      ILE  97  16.844 -22.915   2.144
 1902   3HD1  ILE  97          3HD1      ILE  97  16.340 -23.903   3.516
 1903    H    GLY  98           H        GLY  98  17.749 -18.832   5.349
 1904   1HA   GLY  98          1HA       GLY  98  16.094 -17.238   7.263
 1905   2HA   GLY  98          2HA       GLY  98  17.658 -17.946   7.669
 1906    H    GLU  99           H        GLU  99  16.348 -15.819   5.091
 1907    HA   GLU  99           HA       GLU  99  18.835 -14.166   5.388
 1908   1HB   GLU  99          1HB       GLU  99  17.311 -15.322   3.175
 1909   2HB   GLU  99          2HB       GLU  99  17.584 -13.598   2.945
 1910   1HG   GLU  99          1HG       GLU  99  19.704 -15.700   3.481
 1911   2HG   GLU  99          2HG       GLU  99  19.439 -14.843   1.964
 1912    H    GLU 100           H        GLU 100  18.522 -11.831   4.861
 1913    HA   GLU 100           HA       GLU 100  15.833 -10.838   5.750
 1914   1HB   GLU 100          1HB       GLU 100  18.092 -10.461   7.059
 1915   2HB   GLU 100          2HB       GLU 100  18.408  -9.262   5.805
 1916   1HG   GLU 100          1HG       GLU 100  15.699  -9.134   6.980
 1917   2HG   GLU 100          2HG       GLU 100  17.006  -8.748   8.099
 1918    H    ILE 101           H        ILE 101  14.717 -10.111   3.966
 1919    HA   ILE 101           HA       ILE 101  16.185  -9.325   1.542
 1920    HB   ILE 101           HB       ILE 101  13.230  -9.505   2.224
 1921   1HG1  ILE 101          1HG1      ILE 101  15.100 -11.440   0.823
 1922   2HG1  ILE 101          2HG1      ILE 101  14.419 -11.651   2.436
 1923   1HG2  ILE 101          1HG2      ILE 101  14.190  -8.107   0.157
 1924   2HG2  ILE 101          2HG2      ILE 101  12.745  -9.106  -0.002
 1925   3HG2  ILE 101          3HG2      ILE 101  14.304  -9.715  -0.558
 1926   1HD1  ILE 101          1HD1      ILE 101  12.368 -11.066   0.437
 1927   2HD1  ILE 101          2HD1      ILE 101  12.446 -12.382   1.607
 1928   3HD1  ILE 101          3HD1      ILE 101  13.273 -12.531   0.057
 1929    H    THR 102           H        THR 102  16.648  -7.283   1.005
 1930    HA   THR 102           HA       THR 102  14.933  -5.017   1.804
 1931    HB   THR 102           HB       THR 102  17.042  -3.905   2.790
 1932    HG1  THR 102           HG1      THR 102  18.770  -5.053   2.669
 1933   1HG2  THR 102          1HG2      THR 102  16.050  -6.362   4.258
 1934   2HG2  THR 102          2HG2      THR 102  15.128  -4.864   4.128
 1935   3HG2  THR 102          3HG2      THR 102  16.678  -4.877   4.969
 1936    H    ILE 103           H        ILE 103  15.320  -3.198   0.398
 1937    HA   ILE 103           HA       ILE 103  17.240  -3.770  -1.836
 1938    HB   ILE 103           HB       ILE 103  15.628  -2.542  -3.232
 1939   1HG1  ILE 103          1HG1      ILE 103  13.394  -2.258  -1.535
 1940   2HG1  ILE 103          2HG1      ILE 103  14.757  -1.577  -0.647
 1941   1HG2  ILE 103          1HG2      ILE 103  13.524  -4.063  -2.190
 1942   2HG2  ILE 103          2HG2      ILE 103  14.979  -4.928  -1.695
 1943   3HG2  ILE 103          3HG2      ILE 103  14.693  -4.589  -3.402
 1944   1HD1  ILE 103          1HD1      ILE 103  15.186  -0.605  -3.186
 1945   2HD1  ILE 103          2HD1      ILE 103  14.384   0.286  -1.892
 1946   3HD1  ILE 103          3HD1      ILE 103  13.426  -0.594  -3.082
 1947    H    SER 104           H        SER 104  18.367  -1.920  -2.741
 1948    HA   SER 104           HA       SER 104  18.945   0.178  -0.730
 1949   1HB   SER 104          1HB       SER 104  20.237  -1.164  -2.990
 1950   2HB   SER 104          2HB       SER 104  20.468   0.584  -3.045
 1951    HG   SER 104           HG       SER 104  21.910  -0.932  -1.686
 1952    H    TYR 105           H        TYR 105  19.505   2.402  -2.112
 1953    HA   TYR 105           HA       TYR 105  17.016   3.008  -3.680
 1954   1HB   TYR 105          1HB       TYR 105  18.563   4.893  -1.867
 1955   2HB   TYR 105          2HB       TYR 105  16.965   5.153  -2.558
 1956    HD1  TYR 105           HD1      TYR 105  18.080   5.001   0.456
 1957    HD2  TYR 105           HD2      TYR 105  15.807   2.387  -2.085
 1958    HE1  TYR 105           HE1      TYR 105  17.058   3.947   2.454
 1959    HE2  TYR 105           HE2      TYR 105  14.786   1.332  -0.084
 1960    HH   TYR 105           HH       TYR 105  14.342   1.932   2.281
 1961    H    GLY 106           H        GLY 106  20.130   4.648  -2.978
 1962   1HA   GLY 106          1HA       GLY 106  21.338   4.397  -5.489
 1963   2HA   GLY 106          2HA       GLY 106  20.276   5.798  -5.621
 1964    H    ASP 107           H        ASP 107  22.657   6.671  -5.941
 1965    HA   ASP 107           HA       ASP 107  24.303   7.015  -3.583
 1966   1HB   ASP 107          1HB       ASP 107  24.168   7.871  -6.413
 1967   2HB   ASP 107          2HB       ASP 107  24.979   9.018  -5.346
 1968    H    ASP 108           H        ASP 108  21.716   8.900  -5.102
 1969    HA   ASP 108           HA       ASP 108  22.124  11.290  -3.511
 1970   1HB   ASP 108          1HB       ASP 108  20.402  10.250  -5.600
 1971   2HB   ASP 108          2HB       ASP 108  19.439  11.092  -4.386
 1972    H    TYR 109           H        TYR 109  19.330   9.042  -3.451
 1973    HA   TYR 109           HA       TYR 109  18.499   9.860  -0.816
 1974   1HB   TYR 109          1HB       TYR 109  17.505   8.422  -2.971
 1975   2HB   TYR 109          2HB       TYR 109  17.710   7.176  -1.740
 1976    HD1  TYR 109           HD1      TYR 109  16.748  10.804  -1.597
 1977    HD2  TYR 109           HD2      TYR 109  15.683   6.747  -0.673
 1978    HE1  TYR 109           HE1      TYR 109  14.702  11.603  -0.446
 1979    HE2  TYR 109           HE2      TYR 109  13.637   7.546   0.478
 1980    HH   TYR 109           HH       TYR 109  12.140   9.676   0.297
 1981    H    TRP 110           H        TRP 110  20.818   9.552   0.113
 1982    HA   TRP 110           HA       TRP 110  20.871   6.956   1.530
 1983   1HB   TRP 110          1HB       TRP 110  22.260   7.263  -0.827
 1984   2HB   TRP 110          2HB       TRP 110  23.476   7.728   0.361
 1985    HD1  TRP 110           HD1      TRP 110  23.608   5.013  -1.331
 1986    HE1  TRP 110           HE1      TRP 110  23.710   2.768  -0.071
 1987    HE3  TRP 110           HE3      TRP 110  21.704   6.438   3.199
 1988    HZ2  TRP 110           HZ2      TRP 110  23.071   1.714   2.507
 1989    HZ3  TRP 110           HZ3      TRP 110  21.464   4.794   5.030
 1990    HH2  TRP 110           HH2      TRP 110  22.144   2.435   4.693
 1991    H    LEU 111           H        LEU 111  23.563   7.310   2.481
 1992    HA   LEU 111           HA       LEU 111  23.082   9.308   4.557
 1993   1HB   LEU 111          1HB       LEU 111  24.150   7.121   4.964
 1994   2HB   LEU 111          2HB       LEU 111  25.454   7.538   3.854
 1995    HG   LEU 111           HG       LEU 111  25.713   9.642   5.427
 1996   1HD1  LEU 111          1HD1      LEU 111  23.587   8.764   6.687
 1997   2HD1  LEU 111          2HD1      LEU 111  24.933   9.413   7.623
 1998   3HD1  LEU 111          3HD1      LEU 111  24.725   7.668   7.470
 1999   1HD2  LEU 111          1HD2      LEU 111  26.633   6.813   5.876
 2000   2HD2  LEU 111          2HD2      LEU 111  27.124   8.087   6.992
 2001   3HD2  LEU 111          3HD2      LEU 111  27.552   8.196   5.285
 2002    H    SER 112           H        SER 112  26.025   8.872   2.560
 2003    HA   SER 112           HA       SER 112  25.955  11.700   1.723
 2004   1HB   SER 112          1HB       SER 112  27.323  10.712   4.089
 2005   2HB   SER 112          2HB       SER 112  28.481  11.401   2.950
 2006    HG   SER 112           HG       SER 112  26.168  12.625   4.032
 2007    H    ARG 113           H        ARG 113  28.784   9.606   2.232
 2008    HA   ARG 113           HA       ARG 113  28.937   9.121  -0.712
 2009   1HB   ARG 113          1HB       ARG 113  30.232  11.188   0.472
 2010   2HB   ARG 113          2HB       ARG 113  31.424   9.914   0.730
 2011   1HG   ARG 113          1HG       ARG 113  32.019   9.922  -1.447
 2012   2HG   ARG 113          2HG       ARG 113  30.337   9.826  -1.970
 2013   1HD   ARG 113          1HD       ARG 113  30.950  12.456  -0.864
 2014   2HD   ARG 113          2HD       ARG 113  32.004  12.058  -2.234
 2015    HE   ARG 113           HE       ARG 113  29.130  12.495  -2.372
 2016   1HH1  ARG 113          1HH1      ARG 113  31.797  10.704  -3.714
 2017   2HH1  ARG 113          2HH1      ARG 113  31.015  10.470  -5.238
 2018   1HH2  ARG 113          1HH2      ARG 113  28.136  12.177  -4.360
 2019   2HH2  ARG 113          2HH2      ARG 113  28.959  11.296  -5.604
 2020    HA   PRO 114           HA       PRO 114  30.247   5.569   2.077
 2021   1HB   PRO 114          1HB       PRO 114  28.312   3.783   1.262
 2022   2HB   PRO 114          2HB       PRO 114  28.120   4.860   2.657
 2023   1HG   PRO 114          1HG       PRO 114  27.034   5.107  -0.100
 2024   2HG   PRO 114          2HG       PRO 114  26.299   5.547   1.447
 2025   1HD   PRO 114          1HD       PRO 114  27.420   7.347  -0.287
 2026   2HD   PRO 114          2HD       PRO 114  27.280   7.611   1.463
 2027    H    ARG 115           H        ARG 115  28.952   5.523  -1.247
 2028    HA   ARG 115           HA       ARG 115  29.776   4.497  -3.206
 2029   1HB   ARG 115          1HB       ARG 115  32.132   5.178  -1.478
 2030   2HB   ARG 115          2HB       ARG 115  32.420   4.231  -2.937
 2031   1HG   ARG 115          1HG       ARG 115  31.993   5.996  -4.305
 2032   2HG   ARG 115          2HG       ARG 115  30.625   6.536  -3.331
 2033   1HD   ARG 115          1HD       ARG 115  32.151   8.272  -2.948
 2034   2HD   ARG 115          2HD       ARG 115  32.556   7.185  -1.606
 2035    HE   ARG 115           HE       ARG 115  34.028   6.333  -3.883
 2036   1HH1  ARG 115          1HH1      ARG 115  33.823   9.058  -1.728
 2037   2HH1  ARG 115          2HH1      ARG 115  35.489   9.477  -1.921
 2038   1HH2  ARG 115          1HH2      ARG 115  36.189   6.896  -4.117
 2039   2HH2  ARG 115          2HH2      ARG 115  36.821   8.263  -3.263
 2040    H    LEU 116           H        LEU 116  29.106   2.811  -0.668
 2041    HA   LEU 116           HA       LEU 116  29.243   0.544  -0.008
 2042   1HB   LEU 116          1HB       LEU 116  28.566   0.908  -2.668
 2043   2HB   LEU 116          2HB       LEU 116  29.857  -0.289  -2.765
 2044    HG   LEU 116           HG       LEU 116  27.668  -1.393  -2.514
 2045   1HD1  LEU 116          1HD1      LEU 116  29.728  -2.362  -1.452
 2046   2HD1  LEU 116          2HD1      LEU 116  28.236  -2.820  -0.632
 2047   3HD1  LEU 116          3HD1      LEU 116  29.270  -1.567   0.055
 2048   1HD2  LEU 116          1HD2      LEU 116  27.370  -0.372   0.269
 2049   2HD2  LEU 116          2HD2      LEU 116  26.131  -0.834  -0.897
 2050   3HD2  LEU 116          3HD2      LEU 116  26.933   0.731  -1.036
 2051    H    THR 117           H        THR 117  31.790   1.925   0.204
 2052    HA   THR 117           HA       THR 117  33.631  -0.375  -0.352
 2053    HB   THR 117           HB       THR 117  34.145   2.608  -0.652
 2054    HG1  THR 117           HG1      THR 117  34.447   1.826  -2.892
 2055   1HG2  THR 117          1HG2      THR 117  36.080   0.843  -1.883
 2056   2HG2  THR 117          2HG2      THR 117  35.945   0.493  -0.160
 2057   3HG2  THR 117          3HG2      THR 117  36.345   2.124  -0.699
 2058    H    GLN 118           H        GLN 118  33.929   2.805   1.271
 2059    HA   GLN 118           HA       GLN 118  34.262   1.472   3.895
 2060   1HB   GLN 118          1HB       GLN 118  36.428   1.863   2.222
 2061   2HB   GLN 118          2HB       GLN 118  36.468   3.316   3.220
 2062   1HG   GLN 118          1HG       GLN 118  36.076   1.584   5.186
 2063   2HG   GLN 118          2HG       GLN 118  36.771   0.446   4.032
 2064   1HE2  GLN 118          1HE2      GLN 118  38.973   0.233   4.454
 2065   2HE2  GLN 118          2HE2      GLN 118  40.017   1.508   4.862
 2066    H    ASN 119           H        ASN 119  32.181   3.095   3.448
 2067    HA   ASN 119           HA       ASN 119  31.139   5.109   4.112
 2068   1HB   ASN 119          1HB       ASN 119  33.456   4.579   5.928
 2069   2HB   ASN 119          2HB       ASN 119  32.673   6.153   6.066
 2070   1HD2  ASN 119          1HD2      ASN 119  31.652   2.695   5.733
 2071   2HD2  ASN 119          2HD2      ASN 119  30.398   2.808   6.872
 2072   1H    GLY 201          1H        GLY 201  35.728  16.877   8.967
 2073   2H    GLY 201          2H        GLY 201  34.330  15.990   9.345
 2074   3H    GLY 201          3H        GLY 201  35.862  15.370   9.738
 2075   1HA   GLY 201          1HA       GLY 201  36.166  16.788  11.499
 2076   2HA   GLY 201          2HA       GLY 201  35.020  17.959  10.848
 2077    H    LYS 202           H        LYS 202  33.293  18.048  12.205
 2078    HA   LYS 202           HA       LYS 202  31.693  15.653  12.701
 2079   1HB   LYS 202          1HB       LYS 202  33.695  16.685  14.613
 2080   2HB   LYS 202          2HB       LYS 202  32.098  16.438  15.318
 2081   1HG   LYS 202          1HG       LYS 202  32.747  14.213  13.603
 2082   2HG   LYS 202          2HG       LYS 202  34.054  14.467  14.760
 2083   1HD   LYS 202          1HD       LYS 202  31.250  14.600  15.784
 2084   2HD   LYS 202          2HD       LYS 202  31.902  13.010  15.384
 2085   1HE   LYS 202          1HE       LYS 202  33.945  13.651  16.806
 2086   2HE   LYS 202          2HE       LYS 202  32.968  15.008  17.398
 2087   1HZ   LYS 202          1HZ       LYS 202  31.959  12.219  17.336
 2088   2HZ   LYS 202          2HZ       LYS 202  31.312  13.546  18.177
 2089   3HZ   LYS 202          3HZ       LYS 202  32.776  12.848  18.685
 2090    H    ALA 203           H        ALA 203  30.699  17.751  11.431
 2091    HA   ALA 203           HA       ALA 203  29.561  19.710  13.340
 2092   1HB   ALA 203          1HB       ALA 203  30.024  19.408  10.434
 2093   2HB   ALA 203          2HB       ALA 203  30.060  20.865  11.427
 2094   3HB   ALA 203          3HB       ALA 203  28.520  20.231  10.846
 2095    HA   PRO 204           HA       PRO 204  25.780  17.508  13.894
 2096   1HB   PRO 204          1HB       PRO 204  24.417  20.148  13.839
 2097   2HB   PRO 204          2HB       PRO 204  24.468  18.940  15.135
 2098   1HG   PRO 204          1HG       PRO 204  25.827  21.259  15.257
 2099   2HG   PRO 204          2HG       PRO 204  26.413  19.767  16.004
 2100   1HD   PRO 204          1HD       PRO 204  27.325  21.129  13.524
 2101   2HD   PRO 204          2HD       PRO 204  28.249  20.168  14.698
 2102    H    ARG 205           H        ARG 205  25.969  20.112  11.492
 2103    HA   ARG 205           HA       ARG 205  24.951  20.328   9.370
 2104   1HB   ARG 205          1HB       ARG 205  25.721  17.571   9.896
 2105   2HB   ARG 205          2HB       ARG 205  24.340  17.632   8.801
 2106   1HG   ARG 205          1HG       ARG 205  25.526  18.717   7.146
 2107   2HG   ARG 205          2HG       ARG 205  26.584  19.536   8.296
 2108   1HD   ARG 205          1HD       ARG 205  27.826  17.471   8.696
 2109   2HD   ARG 205          2HD       ARG 205  26.701  16.561   7.669
 2110    HE   ARG 205           HE       ARG 205  27.563  18.679   6.072
 2111   1HH1  ARG 205          1HH1      ARG 205  29.086  16.096   7.840
 2112   2HH1  ARG 205          2HH1      ARG 205  30.426  15.994   6.751
 2113   1HH2  ARG 205          1HH2      ARG 205  29.313  18.527   4.674
 2114   2HH2  ARG 205          2HH2      ARG 205  30.556  17.358   4.972
 2115    H    LYS 206           H        LYS 206  23.016  21.343  10.332
 2116    HA   LYS 206           HA       LYS 206  20.731  19.771  11.171
 2117   1HB   LYS 206          1HB       LYS 206  21.607  22.420  11.231
 2118   2HB   LYS 206          2HB       LYS 206  20.216  22.472  10.147
 2119   1HG   LYS 206          1HG       LYS 206  19.059  22.646  12.117
 2120   2HG   LYS 206          2HG       LYS 206  19.214  20.889  12.102
 2121   1HD   LYS 206          1HD       LYS 206  19.916  21.760  14.281
 2122   2HD   LYS 206          2HD       LYS 206  21.310  21.094  13.431
 2123   1HE   LYS 206          1HE       LYS 206  21.055  23.839  12.657
 2124   2HE   LYS 206          2HE       LYS 206  20.982  23.755  14.427
 2125   1HZ   LYS 206          1HZ       LYS 206  22.936  22.360  14.429
 2126   2HZ   LYS 206          2HZ       LYS 206  23.285  23.790  13.582
 2127   3HZ   LYS 206          3HZ       LYS 206  22.986  22.351  12.731
 2128    H    GLN 207           H        GLN 207  19.690  18.468   9.701
 2129    HA   GLN 207           HA       GLN 207  18.611  17.795   7.711
 2130   1HB   GLN 207          1HB       GLN 207  17.999  20.552   8.361
 2131   2HB   GLN 207          2HB       GLN 207  17.967  20.329   6.612
 2132   1HG   GLN 207          1HG       GLN 207  15.799  19.699   7.151
 2133   2HG   GLN 207          2HG       GLN 207  16.614  18.138   7.251
 2134   1HE2  GLN 207          1HE2      GLN 207  15.838  17.057   9.073
 2135   2HE2  GLN 207          2HE2      GLN 207  15.573  17.771  10.590
 2136    H    LEU 208           H        LEU 208  18.627  18.292   5.210
 2137    HA   LEU 208           HA       LEU 208  21.362  19.216   4.398
 2138   1HB   LEU 208          1HB       LEU 208  19.893  16.651   4.017
 2139   2HB   LEU 208          2HB       LEU 208  20.793  17.240   2.620
 2140    HG   LEU 208           HG       LEU 208  22.169  17.304   5.269
 2141   1HD1  LEU 208          1HD1      LEU 208  22.641  15.005   5.337
 2142   2HD1  LEU 208          2HD1      LEU 208  22.147  14.757   3.662
 2143   3HD1  LEU 208          3HD1      LEU 208  20.930  15.032   4.909
 2144   1HD2  LEU 208          1HD2      LEU 208  22.873  16.917   2.367
 2145   2HD2  LEU 208          2HD2      LEU 208  24.011  16.442   3.629
 2146   3HD2  LEU 208          3HD2      LEU 208  23.483  18.121   3.503
 2147    H    ALA 209           H        ALA 209  21.311  19.381   1.818
 2148    HA   ALA 209           HA       ALA 209  19.570  21.478   1.074
 2149   1HB   ALA 209          1HB       ALA 209  21.760  20.321   0.050
 2150   2HB   ALA 209          2HB       ALA 209  20.676  21.275  -0.963
 2151   3HB   ALA 209          3HB       ALA 209  20.561  19.515  -0.963
 2152    H    THR 210           H        THR 210  19.338  18.023   0.124
 2153    HA   THR 210           HA       THR 210  17.473  16.773  -0.610
 2154    HB   THR 210           HB       THR 210  15.954  18.772   1.093
 2155    HG1  THR 210           HG1      THR 210  17.465  16.525   1.935
 2156   1HG2  THR 210          1HG2      THR 210  15.545  15.813   1.143
 2157   2HG2  THR 210          2HG2      THR 210  14.978  16.692  -0.276
 2158   3HG2  THR 210          3HG2      THR 210  14.365  17.111   1.323
 2159    H    LYS 211           H        LYS 211  18.190  18.555  -2.556
 2160    HA   LYS 211           HA       LYS 211  16.272  20.508  -3.344
 2161   1HB   LYS 211          1HB       LYS 211  18.281  18.739  -4.752
 2162   2HB   LYS 211          2HB       LYS 211  17.298  19.889  -5.659
 2163   1HG   LYS 211          1HG       LYS 211  18.299  21.736  -4.664
 2164   2HG   LYS 211          2HG       LYS 211  18.740  20.842  -3.209
 2165   1HD   LYS 211          1HD       LYS 211  20.670  20.013  -4.141
 2166   2HD   LYS 211          2HD       LYS 211  19.975  19.931  -5.760
 2167   1HE   LYS 211          1HE       LYS 211  21.189  21.810  -6.201
 2168   2HE   LYS 211          2HE       LYS 211  20.009  22.668  -5.191
 2169   1HZ   LYS 211          1HZ       LYS 211  22.573  21.424  -4.357
 2170   2HZ   LYS 211          2HZ       LYS 211  21.367  21.854  -3.241
 2171   3HZ   LYS 211          3HZ       LYS 211  22.104  23.049  -4.196
 2172    H    ALA 212           H        ALA 212  16.677  17.292  -4.875
 2173    HA   ALA 212           HA       ALA 212  13.896  16.555  -4.637
 2174   1HB   ALA 212          1HB       ALA 212  14.477  18.569  -6.491
 2175   2HB   ALA 212          2HB       ALA 212  13.007  17.596  -6.454
 2176   3HB   ALA 212          3HB       ALA 212  14.360  17.110  -7.475
 2177    H    ALA 213           H        ALA 213  15.306  14.646  -4.073
 2178    HA   ALA 213           HA       ALA 213  15.750  12.972  -6.487
 2179   1HB   ALA 213          1HB       ALA 213  17.873  13.194  -4.349
 2180   2HB   ALA 213          2HB       ALA 213  17.829  14.345  -5.685
 2181   3HB   ALA 213          3HB       ALA 213  18.043  12.625  -6.010
 2182    H    ARG 214           H        ARG 214  13.992  11.670  -5.683
 2183    HA   ARG 214           HA       ARG 214  14.000  10.605  -2.967
 2184   1HB   ARG 214          1HB       ARG 214  12.205  10.946  -5.060
 2185   2HB   ARG 214          2HB       ARG 214  12.452   9.200  -5.039
 2186   1HG   ARG 214          1HG       ARG 214  10.637   9.649  -3.534
 2187   2HG   ARG 214          2HG       ARG 214  12.042   9.291  -2.530
 2188   1HD   ARG 214          1HD       ARG 214  11.326  11.250  -1.500
 2189   2HD   ARG 214          2HD       ARG 214  12.368  11.957  -2.748
 2190    HE   ARG 214           HE       ARG 214   9.697  11.445  -3.757
 2191   1HH1  ARG 214          1HH1      ARG 214  11.613  13.640  -1.852
 2192   2HH1  ARG 214          2HH1      ARG 214  10.588  14.994  -2.179
 2193   1HH2  ARG 214          1HH2      ARG 214   8.381  13.218  -4.167
 2194   2HH2  ARG 214          2HH2      ARG 214   8.771  14.759  -3.479
 2195   1HN   MLZ 215          1HN       MLZ 215  13.233   7.866  -3.851
 2196    HA   MLZ 215           HA       MLZ 215  15.870   6.649  -3.776
 2197   1HB   MLZ 215          1HB       MLZ 215  13.045   5.621  -4.204
 2198   2HB   MLZ 215          2HB       MLZ 215  14.441   4.561  -4.021
 2199   1HG   MLZ 215          1HG       MLZ 215  13.707   6.680  -1.987
 2200   2HG   MLZ 215          2HG       MLZ 215  14.862   5.360  -1.798
 2201   1HD   MLZ 215          1HD       MLZ 215  11.889   4.974  -2.261
 2202   2HD   MLZ 215          2HD       MLZ 215  13.072   3.715  -1.903
 2203   1HE   MLZ 215          1HE       MLZ 215  11.849   5.740  -0.073
 2204   2HE   MLZ 215          2HE       MLZ 215  13.535   5.277   0.226
 2205    HZ   MLZ 215           HZ       MLZ 215  12.737   2.912  -0.099
 2206   1HCM  MLZ 215          1HCM      MLZ 215  11.786   4.546   2.188
 2207   2HCM  MLZ 215          2HCM      MLZ 215  13.319   3.684   2.058
 2208   3HCM  MLZ 215          3HCM      MLZ 215  11.809   2.783   2.186
 2209    H    SER 216           H        SER 216  17.099   5.986  -5.508
 2210    HA   SER 216           HA       SER 216  17.711   5.516  -7.741
 2211   1HB   SER 216          1HB       SER 216  17.047   7.255  -9.220
 2212   2HB   SER 216          2HB       SER 216  15.477   7.433  -8.437
 2213    HG   SER 216           HG       SER 216  16.725   9.088  -7.708
 2214    H    ALA 217           H        ALA 217  16.494   5.066 -10.038
 2215    HA   ALA 217           HA       ALA 217  14.685   2.816  -9.485
 2216   1HB   ALA 217          1HB       ALA 217  13.825   5.495 -10.462
 2217   2HB   ALA 217          2HB       ALA 217  12.914   4.291  -9.552
 2218   3HB   ALA 217          3HB       ALA 217  13.120   4.109 -11.294
 2219    HA   PRO 218           HA       PRO 218  16.309   1.175 -13.215
 2220   1HB   PRO 218          1HB       PRO 218  14.005   0.462 -14.631
 2221   2HB   PRO 218          2HB       PRO 218  14.755  -0.521 -13.362
 2222   1HG   PRO 218          1HG       PRO 218  12.425   1.328 -13.208
 2223   2HG   PRO 218          2HG       PRO 218  12.680  -0.235 -12.416
 2224   1HD   PRO 218          1HD       PRO 218  12.949   2.084 -11.090
 2225   2HD   PRO 218          2HD       PRO 218  13.986   0.682 -10.747
 2226    H    ALA 219           H        ALA 219  13.455   3.251 -13.808
 2227    HA   ALA 219           HA       ALA 219  13.083   4.900 -15.459
 2228   1HB   ALA 219          1HB       ALA 219  16.011   4.943 -14.762
 2229   2HB   ALA 219          2HB       ALA 219  14.767   6.138 -14.396
 2230   3HB   ALA 219          3HB       ALA 219  15.417   6.015 -16.031
 2231    H    THR 220           H        THR 220  12.445   3.197 -17.040
 2232    HA   THR 220           HA       THR 220  14.552   2.491 -19.032
 2233    HB   THR 220           HB       THR 220  13.180   0.696 -18.042
 2234    HG1  THR 220           HG1      THR 220  12.355   1.238 -20.698
 2235   1HG2  THR 220          1HG2      THR 220  11.160   1.663 -17.384
 2236   2HG2  THR 220          2HG2      THR 220  10.670   0.784 -18.832
 2237   3HG2  THR 220          3HG2      THR 220  10.958   2.522 -18.911
 2238    H    GLY 221           H        GLY 221  13.981   2.728 -21.344
 2239   1HA   GLY 221          1HA       GLY 221  12.976   3.823 -23.180
 2240   2HA   GLY 221          2HA       GLY 221  11.707   4.392 -22.095
 2241   1HN   SAH 301          1HN       SAH 301 -11.266  -0.988  -6.774
 2242   2HN   SAH 301          2HN       SAH 301  -9.822  -0.219  -7.236
 2243    HA   SAH 301           HA       SAH 301 -12.481   1.042  -7.632
 2244   1HB   SAH 301          1HB       SAH 301 -11.455   0.272  -5.219
 2245   2HB   SAH 301          2HB       SAH 301 -10.705   1.858  -5.398
 2246   1HG   SAH 301          1HG       SAH 301 -13.180   1.524  -4.365
 2247   2HG   SAH 301          2HG       SAH 301 -13.596   1.685  -6.072
 2248   1H5*  SAH 301          1H5*      SAH 301 -14.934   3.259  -4.824
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.445   4.817  -4.157
 2250    H4*  SAH 301           H4*      SAH 301 -13.999   5.306  -6.706
 2251    H3*  SAH 301           H3*      SAH 301 -16.087   5.806  -4.763
 2252   *HO3  SAH 301          *HO3      SAH 301 -14.606   7.081  -6.628
 2253    H2*  SAH 301           H2*      SAH 301 -17.934   5.236  -5.892
 2254   *HO2  SAH 301          *HO2      SAH 301 -18.470   6.717  -7.258
 2255    H1*  SAH 301           H1*      SAH 301 -16.857   4.449  -8.460
 2256    H8   SAH 301           H8       SAH 301 -16.559   1.829  -5.835
 2257   1HN6  SAH 301          1HN6      SAH 301 -20.909  -0.799  -8.330
 2258   2HN6  SAH 301          2HN6      SAH 301 -21.459  -0.269  -6.757
 2259    H2   SAH 301           H2       SAH 301 -21.364   3.844  -9.543
 2260   1HN   SAH 302          1HN       SAH 302  11.213  -0.983   6.757
 2261   2HN   SAH 302          2HN       SAH 302   9.767  -0.216   7.211
 2262    HA   SAH 302           HA       SAH 302  12.425   1.039   7.625
 2263   1HB   SAH 302          1HB       SAH 302  11.413   0.270   5.206
 2264   2HB   SAH 302          2HB       SAH 302  10.664   1.858   5.378
 2265   1HG   SAH 302          1HG       SAH 302  13.145   1.517   4.361
 2266   2HG   SAH 302          2HG       SAH 302  13.551   1.679   6.070
 2267   1H5*  SAH 302          1H5*      SAH 302  14.900   3.248   4.832
 2268   2H5*  SAH 302          2H5*      SAH 302  14.419   4.806   4.160
 2269    H4*  SAH 302           H4*      SAH 302  13.956   5.300   6.705
 2270    H3*  SAH 302           H3*      SAH 302  16.058   5.794   4.776
 2271   *HO3  SAH 302          *HO3      SAH 302  14.568   7.073   6.630
 2272    H2*  SAH 302           H2*      SAH 302  17.895   5.222   5.918
 2273   *HO2  SAH 302          *HO2      SAH 302  18.426   6.702   7.286
 2274    H1*  SAH 302           H1*      SAH 302  16.801   4.438   8.479
 2275    H8   SAH 302           H8       SAH 302  16.514   1.815   5.853
 2276   1HN6  SAH 302          1HN6      SAH 302  20.842  -0.818   8.380
 2277   2HN6  SAH 302          2HN6      SAH 302  21.404  -0.290   6.810
 2278    H2   SAH 302           H2       SAH 302  21.299   3.825   9.593
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1   1.295  -9.372  -4.491
    2   2H    MET   1          2H        MET   1   0.753 -10.523  -5.616
    3   3H    MET   1          3H        MET   1   0.783 -10.902  -3.961
    4    HA   MET   1           HA       MET   1  -0.969  -9.363  -3.486
    5   1HB   MET   1          1HB       MET   1   0.188  -8.049  -5.598
    6   2HB   MET   1          2HB       MET   1  -1.296  -8.642  -6.342
    7   1HG   MET   1          1HG       MET   1  -1.848  -6.509  -5.416
    8   2HG   MET   1          2HG       MET   1  -2.527  -7.700  -4.307
    9   1HE   MET   1          1HE       MET   1  -2.683  -5.380  -3.206
   10   2HE   MET   1          2HE       MET   1  -1.360  -4.348  -3.749
   11   3HE   MET   1          3HE       MET   1  -1.494  -4.787  -2.046
   12    H    PHE   2           H        PHE   2  -0.496 -12.157  -4.725
   13    HA   PHE   2           HA       PHE   2  -3.355 -12.702  -5.263
   14   1HB   PHE   2          1HB       PHE   2  -2.595 -13.996  -7.363
   15   2HB   PHE   2          2HB       PHE   2  -2.609 -12.239  -7.484
   16    HD1  PHE   2           HD1      PHE   2  -0.499 -10.951  -7.371
   17    HD2  PHE   2           HD2      PHE   2  -0.519 -15.246  -7.390
   18    HE1  PHE   2           HE1      PHE   2   1.916 -10.958  -7.926
   19    HE2  PHE   2           HE2      PHE   2   1.899 -15.253  -7.944
   20    HZ   PHE   2           HZ       PHE   2   3.115 -13.107  -8.212
   21    H    ASN   3           H        ASN   3  -2.747 -13.703  -3.063
   22    HA   ASN   3           HA       ASN   3  -2.066 -16.532  -3.518
   23   1HB   ASN   3          1HB       ASN   3  -0.261 -14.506  -2.309
   24   2HB   ASN   3          2HB       ASN   3  -0.361 -16.043  -1.450
   25   1HD2  ASN   3          1HD2      ASN   3   0.509 -17.936  -2.495
   26   2HD2  ASN   3          2HD2      ASN   3   1.382 -17.854  -3.948
   27    H    ASP   4           H        ASP   4  -1.734 -14.736  -0.492
   28    HA   ASP   4           HA       ASP   4  -2.995 -16.399   1.252
   29   1HB   ASP   4          1HB       ASP   4  -1.880 -14.077   1.516
   30   2HB   ASP   4          2HB       ASP   4  -3.503 -13.419   1.306
   31    H    ARG   5           H        ARG   5  -4.791 -17.460   0.139
   32    HA   ARG   5           HA       ARG   5  -7.067 -17.751  -0.441
   33   1HB   ARG   5          1HB       ARG   5  -7.065 -15.910   1.975
   34   2HB   ARG   5          2HB       ARG   5  -8.473 -16.820   1.435
   35   1HG   ARG   5          1HG       ARG   5  -6.640 -18.812   1.514
   36   2HG   ARG   5          2HG       ARG   5  -6.008 -17.769   2.789
   37   1HD   ARG   5          1HD       ARG   5  -7.944 -17.984   4.100
   38   2HD   ARG   5          2HD       ARG   5  -8.951 -18.429   2.708
   39    HE   ARG   5           HE       ARG   5  -6.807 -20.333   3.072
   40   1HH1  ARG   5          1HH1      ARG   5  -9.890 -19.342   4.350
   41   2HH1  ARG   5          2HH1      ARG   5 -10.263 -20.915   4.966
   42   1HH2  ARG   5          1HH2      ARG   5  -7.313 -22.363   3.879
   43   2HH2  ARG   5          2HH2      ARG   5  -8.815 -22.614   4.702
   44    H    VAL   6           H        VAL   6  -5.721 -15.112  -1.596
   45    HA   VAL   6           HA       VAL   6  -8.266 -14.013  -2.609
   46    HB   VAL   6           HB       VAL   6  -6.371 -12.522  -0.755
   47   1HG1  VAL   6          1HG1      VAL   6  -7.688 -10.480  -1.254
   48   2HG1  VAL   6          2HG1      VAL   6  -8.565 -11.361  -2.505
   49   3HG1  VAL   6          3HG1      VAL   6  -6.836 -11.063  -2.684
   50   1HG2  VAL   6          1HG2      VAL   6  -9.328 -13.164  -0.733
   51   2HG2  VAL   6          2HG2      VAL   6  -8.613 -11.946   0.327
   52   3HG2  VAL   6          3HG2      VAL   6  -8.106 -13.631   0.454
   53    H    ILE   7           H        ILE   7  -7.940 -12.580  -4.414
   54    HA   ILE   7           HA       ILE   7  -5.149 -12.189  -5.357
   55    HB   ILE   7           HB       ILE   7  -5.933 -14.318  -6.303
   56   1HG1  ILE   7          1HG1      ILE   7  -6.097 -12.198  -8.452
   57   2HG1  ILE   7          2HG1      ILE   7  -4.581 -12.634  -7.666
   58   1HG2  ILE   7          1HG2      ILE   7  -8.410 -13.352  -6.158
   59   2HG2  ILE   7          2HG2      ILE   7  -7.982 -14.599  -7.329
   60   3HG2  ILE   7          3HG2      ILE   7  -8.079 -12.912  -7.833
   61   1HD1  ILE   7          1HD1      ILE   7  -5.707 -13.913  -9.871
   62   2HD1  ILE   7          2HD1      ILE   7  -6.085 -14.982  -8.521
   63   3HD1  ILE   7          3HD1      ILE   7  -4.410 -14.544  -8.855
   64    H    VAL   8           H        VAL   8  -4.921 -10.274  -6.546
   65    HA   VAL   8           HA       VAL   8  -7.220  -8.435  -6.433
   66    HB   VAL   8           HB       VAL   8  -4.929  -7.820  -5.698
   67   1HG1  VAL   8          1HG1      VAL   8  -4.169  -9.200  -8.009
   68   2HG1  VAL   8          2HG1      VAL   8  -3.105  -8.281  -6.945
   69   3HG1  VAL   8          3HG1      VAL   8  -3.806  -7.512  -8.368
   70   1HG2  VAL   8          1HG2      VAL   8  -6.060  -6.377  -8.105
   71   2HG2  VAL   8          2HG2      VAL   8  -4.698  -5.744  -7.179
   72   3HG2  VAL   8          3HG2      VAL   8  -6.266  -5.968  -6.402
   73    H    LYS   9           H        LYS   9  -8.387  -7.757  -8.183
   74    HA   LYS   9           HA       LYS   9  -7.354  -8.316 -10.914
   75   1HB   LYS   9          1HB       LYS   9  -9.936  -9.236  -9.656
   76   2HB   LYS   9          2HB       LYS   9  -9.711  -9.195 -11.404
   77   1HG   LYS   9          1HG       LYS   9  -7.487 -10.482 -10.863
   78   2HG   LYS   9          2HG       LYS   9  -8.294 -10.869  -9.353
   79   1HD   LYS   9          1HD       LYS   9  -9.896 -12.181 -10.395
   80   2HD   LYS   9          2HD       LYS   9  -9.806 -11.271 -11.898
   81   1HE   LYS   9          1HE       LYS   9  -7.809 -12.370 -12.574
   82   2HE   LYS   9          2HE       LYS   9  -7.495 -12.970 -10.935
   83   1HZ   LYS   9          1HZ       LYS   9  -8.477 -14.748 -12.149
   84   2HZ   LYS   9          2HZ       LYS   9  -9.708 -13.750 -12.760
   85   3HZ   LYS   9          3HZ       LYS   9  -9.681 -14.152 -11.110
   86    H    LYS  10           H        LYS  10  -9.081  -5.295 -11.907
   87    HA   LYS  10           HA       LYS  10  -7.971  -6.166 -13.758
   88   1HB   LYS  10          1HB       LYS  10  -6.355  -6.467 -11.412
   89   2HB   LYS  10          2HB       LYS  10  -6.075  -7.859 -12.459
   90   1HG   LYS  10          1HG       LYS  10  -6.046  -5.003 -13.467
   91   2HG   LYS  10          2HG       LYS  10  -4.594  -5.844 -12.923
   92   1HD   LYS  10          1HD       LYS  10  -6.441  -6.765 -15.147
   93   2HD   LYS  10          2HD       LYS  10  -4.849  -6.040 -15.368
   94   1HE   LYS  10          1HE       LYS  10  -4.079  -7.998 -13.750
   95   2HE   LYS  10          2HE       LYS  10  -5.561  -8.771 -14.345
   96   1HZ   LYS  10          1HZ       LYS  10  -3.645  -7.438 -16.171
   97   2HZ   LYS  10          2HZ       LYS  10  -4.857  -8.564 -16.556
   98   3HZ   LYS  10          3HZ       LYS  10  -3.458  -9.069 -15.736
   99    H    SER  11           H        SER  11 -10.253  -7.427 -13.508
  100    HA   SER  11           HA       SER  11  -9.681 -10.367 -13.606
  101   1HB   SER  11          1HB       SER  11 -12.358 -10.209 -13.400
  102   2HB   SER  11          2HB       SER  11 -11.327 -10.085 -11.977
  103    HG   SER  11           HG       SER  11 -11.682  -7.988 -11.865
  104    HA   PRO  12           HA       PRO  12 -10.987 -10.522 -17.793
  105   1HB   PRO  12          1HB       PRO  12 -13.166 -12.440 -17.420
  106   2HB   PRO  12          2HB       PRO  12 -11.565 -12.712 -18.126
  107   1HG   PRO  12          1HG       PRO  12 -12.376 -13.725 -15.725
  108   2HG   PRO  12          2HG       PRO  12 -10.689 -13.425 -16.157
  109   1HD   PRO  12          1HD       PRO  12 -12.503 -11.848 -14.409
  110   2HD   PRO  12          2HD       PRO  12 -10.751 -12.112 -14.282
  111    H    LEU  13           H        LEU  13 -13.524 -10.022 -15.444
  112    HA   LEU  13           HA       LEU  13 -14.918  -8.240 -17.378
  113   1HB   LEU  13          1HB       LEU  13 -15.738 -10.865 -16.669
  114   2HB   LEU  13          2HB       LEU  13 -16.821  -9.765 -15.816
  115    HG   LEU  13           HG       LEU  13 -16.216  -9.145 -18.671
  116   1HD1  LEU  13          1HD1      LEU  13 -18.502 -10.813 -18.674
  117   2HD1  LEU  13          2HD1      LEU  13 -17.244 -11.702 -17.814
  118   3HD1  LEU  13          3HD1      LEU  13 -16.952 -11.124 -19.454
  119   1HD2  LEU  13          1HD2      LEU  13 -17.678  -7.746 -17.184
  120   2HD2  LEU  13          2HD2      LEU  13 -18.783  -9.115 -17.057
  121   3HD2  LEU  13          3HD2      LEU  13 -18.509  -8.344 -18.619
  122    H    GLY  14           H        GLY  14 -13.268  -7.970 -14.843
  123   1HA   GLY  14          1HA       GLY  14 -15.301  -6.414 -13.295
  124   2HA   GLY  14          2HA       GLY  14 -14.135  -7.440 -12.460
  125    H    GLY  15           H        GLY  15 -14.149  -4.780 -11.815
  126   1HA   GLY  15          1HA       GLY  15 -12.053  -3.437 -13.418
  127   2HA   GLY  15          2HA       GLY  15 -12.960  -2.710 -12.092
  128    H    TYR  16           H        TYR  16 -11.133  -2.038 -10.888
  129    HA   TYR  16           HA       TYR  16  -9.118  -4.088 -10.140
  130   1HB   TYR  16          1HB       TYR  16  -9.221  -1.263 -10.573
  131   2HB   TYR  16          2HB       TYR  16  -8.710  -1.531  -8.911
  132    HD1  TYR  16           HD1      TYR  16  -7.215  -4.003  -8.995
  133    HD2  TYR  16           HD2      TYR  16  -7.313  -0.802 -11.859
  134    HE1  TYR  16           HE1      TYR  16  -4.954  -4.642  -9.786
  135    HE2  TYR  16           HE2      TYR  16  -5.050  -1.442 -12.650
  136    HH   TYR  16           HH       TYR  16  -3.114  -2.635 -11.909
  137    H    GLY  17           H        GLY  17 -11.070  -5.124  -8.915
  138   1HA   GLY  17          1HA       GLY  17 -11.244  -3.935  -6.174
  139   2HA   GLY  17          2HA       GLY  17 -12.522  -4.925  -6.883
  140    H    VAL  18           H        VAL  18 -12.177  -6.287  -4.876
  141    HA   VAL  18           HA       VAL  18  -9.670  -7.907  -4.966
  142    HB   VAL  18           HB       VAL  18 -11.954  -7.683  -2.970
  143   1HG1  VAL  18          1HG1      VAL  18 -10.716  -9.080  -1.521
  144   2HG1  VAL  18          2HG1      VAL  18  -9.244  -8.912  -2.478
  145   3HG1  VAL  18          3HG1      VAL  18 -10.587  -9.878  -3.089
  146   1HG2  VAL  18          1HG2      VAL  18 -10.597  -5.634  -3.164
  147   2HG2  VAL  18          2HG2      VAL  18  -9.128  -6.580  -2.925
  148   3HG2  VAL  18          3HG2      VAL  18 -10.306  -6.435  -1.620
  149    H    PHE  19           H        PHE  19  -9.733 -10.068  -5.569
  150    HA   PHE  19           HA       PHE  19 -12.381 -11.141  -6.443
  151   1HB   PHE  19          1HB       PHE  19  -9.765 -11.078  -7.533
  152   2HB   PHE  19          2HB       PHE  19 -10.076 -12.758  -7.100
  153    HD1  PHE  19           HD1      PHE  19 -11.264 -14.107  -8.583
  154    HD2  PHE  19           HD2      PHE  19 -11.767  -9.846  -8.748
  155    HE1  PHE  19           HE1      PHE  19 -12.728 -14.358 -10.570
  156    HE2  PHE  19           HE2      PHE  19 -13.234 -10.096 -10.733
  157    HZ   PHE  19           HZ       PHE  19 -13.711 -12.352 -11.647
  158    H    ALA  20           H        ALA  20 -13.311 -12.704  -5.210
  159    HA   ALA  20           HA       ALA  20 -11.862 -13.752  -2.868
  160   1HB   ALA  20          1HB       ALA  20 -13.985 -13.778  -2.051
  161   2HB   ALA  20          2HB       ALA  20 -14.548 -14.783  -3.388
  162   3HB   ALA  20          3HB       ALA  20 -14.489 -13.028  -3.566
  163    H    ARG  21           H        ARG  21 -10.413 -15.339  -3.620
  164    HA   ARG  21           HA       ARG  21 -11.208 -17.438  -5.495
  165   1HB   ARG  21          1HB       ARG  21  -8.859 -16.351  -4.650
  166   2HB   ARG  21          2HB       ARG  21  -8.918 -17.779  -3.617
  167   1HG   ARG  21          1HG       ARG  21  -8.977 -19.254  -5.471
  168   2HG   ARG  21          2HG       ARG  21  -9.420 -17.964  -6.589
  169   1HD   ARG  21          1HD       ARG  21  -7.060 -16.981  -5.666
  170   2HD   ARG  21          2HD       ARG  21  -6.741 -18.722  -5.552
  171    HE   ARG  21           HE       ARG  21  -8.048 -18.165  -8.041
  172   1HH1  ARG  21          1HH1      ARG  21  -5.008 -17.715  -6.406
  173   2HH1  ARG  21          2HH1      ARG  21  -4.095 -17.700  -7.874
  174   1HH2  ARG  21          1HH2      ARG  21  -6.839 -18.143  -9.935
  175   2HH2  ARG  21          2HH2      ARG  21  -5.121 -17.940  -9.858
  176    H    LYS  22           H        LYS  22 -11.485 -16.869  -2.085
  177    HA   LYS  22           HA       LYS  22 -11.971 -19.737  -1.469
  178   1HB   LYS  22          1HB       LYS  22 -11.086 -17.308  -0.130
  179   2HB   LYS  22          2HB       LYS  22 -12.407 -18.053   0.762
  180   1HG   LYS  22          1HG       LYS  22 -10.656 -19.262   1.655
  181   2HG   LYS  22          2HG       LYS  22 -10.975 -20.265   0.240
  182   1HD   LYS  22          1HD       LYS  22  -9.098 -17.935  -0.001
  183   2HD   LYS  22          2HD       LYS  22  -8.522 -19.435   0.725
  184   1HE   LYS  22          1HE       LYS  22 -10.039 -19.634  -1.846
  185   2HE   LYS  22          2HE       LYS  22  -8.369 -19.044  -1.913
  186   1HZ   LYS  22          1HZ       LYS  22  -8.467 -21.479  -2.009
  187   2HZ   LYS  22          2HZ       LYS  22  -9.277 -21.512  -0.516
  188   3HZ   LYS  22          3HZ       LYS  22  -7.677 -20.950  -0.601
  189    H    SER  23           H        SER  23 -15.475 -19.112  -0.438
  190    HA   SER  23           HA       SER  23 -12.906 -20.471   0.240
  191   1HB   SER  23          1HB       SER  23 -14.988 -21.720  -0.480
  192   2HB   SER  23          2HB       SER  23 -14.396 -22.193   1.114
  193    HG   SER  23           HG       SER  23 -16.773 -21.506   0.644
  194    H    PHE  24           H        PHE  24 -15.379 -18.337   1.497
  195    HA   PHE  24           HA       PHE  24 -13.906 -18.254   4.112
  196   1HB   PHE  24          1HB       PHE  24 -15.387 -16.169   2.472
  197   2HB   PHE  24          2HB       PHE  24 -14.782 -15.865   4.100
  198    HD1  PHE  24           HD1      PHE  24 -12.220 -17.192   4.199
  199    HD2  PHE  24           HD2      PHE  24 -14.022 -15.036   0.951
  200    HE1  PHE  24           HE1      PHE  24  -9.972 -16.706   3.274
  201    HE2  PHE  24           HE2      PHE  24 -11.774 -14.549   0.026
  202    HZ   PHE  24           HZ       PHE  24  -9.751 -15.385   1.189
  203    H    GLU  25           H        GLU  25 -15.235 -17.721   6.000
  204    HA   GLU  25           HA       GLU  25 -17.979 -18.879   5.803
  205   1HB   GLU  25          1HB       GLU  25 -15.911 -19.505   7.403
  206   2HB   GLU  25          2HB       GLU  25 -16.599 -18.209   8.374
  207   1HG   GLU  25          1HG       GLU  25 -18.780 -19.789   7.518
  208   2HG   GLU  25          2HG       GLU  25 -17.535 -20.911   8.061
  209    H    LYS  26           H        LYS  26 -18.955 -17.693   8.206
  210    HA   LYS  26           HA       LYS  26 -19.476 -14.928   7.233
  211   1HB   LYS  26          1HB       LYS  26 -21.246 -16.706   7.839
  212   2HB   LYS  26          2HB       LYS  26 -20.788 -16.425   9.514
  213   1HG   LYS  26          1HG       LYS  26 -21.288 -14.007   9.228
  214   2HG   LYS  26          2HG       LYS  26 -21.806 -14.330   7.575
  215   1HD   LYS  26          1HD       LYS  26 -23.590 -15.785   8.365
  216   2HD   LYS  26          2HD       LYS  26 -23.025 -15.629  10.028
  217   1HE   LYS  26          1HE       LYS  26 -23.393 -12.989   8.960
  218   2HE   LYS  26          2HE       LYS  26 -24.864 -13.934   8.657
  219   1HZ   LYS  26          1HZ       LYS  26 -23.414 -13.720  11.248
  220   2HZ   LYS  26          2HZ       LYS  26 -24.776 -14.696  10.970
  221   3HZ   LYS  26          3HZ       LYS  26 -24.911 -13.005  10.887
  222    H    GLY  27           H        GLY  27 -17.420 -14.022   7.981
  223   1HA   GLY  27          1HA       GLY  27 -16.732 -12.455   9.751
  224   2HA   GLY  27          2HA       GLY  27 -17.389 -13.584  10.935
  225    H    GLU  28           H        GLU  28 -14.800 -13.203   8.523
  226    HA   GLU  28           HA       GLU  28 -12.966 -14.706  10.296
  227   1HB   GLU  28          1HB       GLU  28 -14.408 -15.849   8.089
  228   2HB   GLU  28          2HB       GLU  28 -12.699 -15.794   7.658
  229   1HG   GLU  28          1HG       GLU  28 -12.240 -16.810   9.965
  230   2HG   GLU  28          2HG       GLU  28 -13.972 -17.123  10.059
  231    H    LEU  29           H        LEU  29 -10.859 -13.951  10.032
  232    HA   LEU  29           HA       LEU  29 -10.270 -11.573   8.624
  233   1HB   LEU  29          1HB       LEU  29  -9.002 -13.418  10.316
  234   2HB   LEU  29          2HB       LEU  29  -8.025 -13.434   8.863
  235    HG   LEU  29           HG       LEU  29  -8.656 -11.077  10.637
  236   1HD1  LEU  29          1HD1      LEU  29  -5.935 -11.537   9.649
  237   2HD1  LEU  29          2HD1      LEU  29  -6.572 -12.876  10.604
  238   3HD1  LEU  29          3HD1      LEU  29  -6.502 -11.255  11.295
  239   1HD2  LEU  29          1HD2      LEU  29  -7.580 -11.102   7.808
  240   2HD2  LEU  29          2HD2      LEU  29  -7.293  -9.762   8.918
  241   3HD2  LEU  29          3HD2      LEU  29  -8.939 -10.170   8.438
  242    H    VAL  30           H        VAL  30  -9.095 -11.252   6.600
  243    HA   VAL  30           HA       VAL  30  -9.022 -13.633   4.785
  244    HB   VAL  30           HB       VAL  30 -10.276 -10.905   4.285
  245   1HG1  VAL  30          1HG1      VAL  30 -10.762 -11.661   2.048
  246   2HG1  VAL  30          2HG1      VAL  30 -10.136 -13.272   2.400
  247   3HG1  VAL  30          3HG1      VAL  30  -9.034 -11.897   2.313
  248   1HG2  VAL  30          1HG2      VAL  30 -12.085 -12.950   3.702
  249   2HG2  VAL  30          2HG2      VAL  30 -12.098 -11.926   5.138
  250   3HG2  VAL  30          3HG2      VAL  30 -11.284 -13.490   5.177
  251    H    GLU  31           H        GLU  31  -8.220 -10.159   5.065
  252    HA   GLU  31           HA       GLU  31  -5.433 -10.689   4.318
  253   1HB   GLU  31          1HB       GLU  31  -6.732 -10.706   2.168
  254   2HB   GLU  31          2HB       GLU  31  -7.269  -9.063   2.518
  255   1HG   GLU  31          1HG       GLU  31  -5.414  -8.530   1.273
  256   2HG   GLU  31          2HG       GLU  31  -4.611  -8.726   2.831
  257    H    GLU  32           H        GLU  32  -4.427  -9.364   5.783
  258    HA   GLU  32           HA       GLU  32  -5.568  -6.624   6.183
  259   1HB   GLU  32          1HB       GLU  32  -4.966  -6.873   8.523
  260   2HB   GLU  32          2HB       GLU  32  -5.883  -8.295   8.048
  261   1HG   GLU  32          1HG       GLU  32  -3.679  -9.460   7.615
  262   2HG   GLU  32          2HG       GLU  32  -2.877  -8.075   8.354
  263    H    CYS  33           H        CYS  33  -4.032  -4.921   6.237
  264    HA   CYS  33           HA       CYS  33  -1.158  -5.681   5.893
  265   1HB   CYS  33          1HB       CYS  33  -2.808  -3.792   4.174
  266   2HB   CYS  33          2HB       CYS  33  -1.089  -4.118   3.962
  267    HG   CYS  33           HG       CYS  33  -3.288  -6.313   3.569
  268    H    LEU  34           H        LEU  34  -0.234  -3.082   5.370
  269    HA   LEU  34           HA       LEU  34  -0.544  -1.837   8.045
  270   1HB   LEU  34          1HB       LEU  34   1.426  -1.999   5.847
  271   2HB   LEU  34          2HB       LEU  34   1.351  -0.428   6.643
  272    HG   LEU  34           HG       LEU  34   2.986  -1.988   7.708
  273   1HD1  LEU  34          1HD1      LEU  34   1.479  -1.874  10.023
  274   2HD1  LEU  34          2HD1      LEU  34   0.763  -0.612   9.020
  275   3HD1  LEU  34          3HD1      LEU  34   2.486  -0.570   9.393
  276   1HD2  LEU  34          1HD2      LEU  34   2.369  -4.017   8.663
  277   2HD2  LEU  34          2HD2      LEU  34   1.332  -3.983   7.237
  278   3HD2  LEU  34          3HD2      LEU  34   0.677  -3.543   8.814
  279    H    CYS  35           H        CYS  35  -0.335   0.737   7.842
  280    HA   CYS  35           HA       CYS  35  -1.876   1.830   5.558
  281   1HB   CYS  35          1HB       CYS  35  -2.838   1.469   8.373
  282   2HB   CYS  35          2HB       CYS  35  -3.322   2.935   7.526
  283    HG   CYS  35           HG       CYS  35  -4.800   0.527   7.139
  284    H    ILE  36           H        ILE  36  -1.827   4.217   5.559
  285    HA   ILE  36           HA       ILE  36   0.531   5.270   7.084
  286    HB   ILE  36           HB       ILE  36  -0.898   6.393   4.646
  287   1HG1  ILE  36          1HG1      ILE  36   1.633   4.724   4.724
  288   2HG1  ILE  36          2HG1      ILE  36   0.052   4.101   4.251
  289   1HG2  ILE  36          1HG2      ILE  36   1.548   7.359   4.423
  290   2HG2  ILE  36          2HG2      ILE  36   1.605   7.055   6.159
  291   3HG2  ILE  36          3HG2      ILE  36   0.384   8.139   5.493
  292   1HD1  ILE  36          1HD1      ILE  36   1.802   5.103   2.463
  293   2HD1  ILE  36          2HD1      ILE  36   0.961   6.590   2.898
  294   3HD1  ILE  36          3HD1      ILE  36   0.056   5.224   2.248
  295    H    VAL  37           H        VAL  37  -0.275   6.176   8.980
  296    HA   VAL  37           HA       VAL  37  -2.875   7.569   8.969
  297    HB   VAL  37           HB       VAL  37  -0.754   7.010  11.074
  298   1HG1  VAL  37          1HG1      VAL  37  -2.833   8.914  11.146
  299   2HG1  VAL  37          2HG1      VAL  37  -1.885   8.325  12.512
  300   3HG1  VAL  37          3HG1      VAL  37  -3.410   7.543  12.094
  301   1HG2  VAL  37          1HG2      VAL  37  -2.779   5.510  11.849
  302   2HG2  VAL  37          2HG2      VAL  37  -1.705   4.941  10.571
  303   3HG2  VAL  37          3HG2      VAL  37  -3.268   5.647  10.159
  304    H    ARG  38           H        ARG  38  -3.008   9.717   8.502
  305    HA   ARG  38           HA       ARG  38  -0.746  11.503   9.289
  306   1HB   ARG  38          1HB       ARG  38  -0.645  10.737   6.869
  307   2HB   ARG  38          2HB       ARG  38  -2.186  11.555   6.617
  308   1HG   ARG  38          1HG       ARG  38  -0.534  13.141   5.969
  309   2HG   ARG  38          2HG       ARG  38  -1.044  13.647   7.580
  310   1HD   ARG  38          1HD       ARG  38   0.938  12.859   8.587
  311   2HD   ARG  38          2HD       ARG  38   1.301  11.771   7.234
  312    HE   ARG  38           HE       ARG  38   1.241  14.296   6.076
  313   1HH1  ARG  38          1HH1      ARG  38   2.950  12.834   8.733
  314   2HH1  ARG  38          2HH1      ARG  38   4.335  13.852   8.546
  315   1HH2  ARG  38          1HH2      ARG  38   3.052  15.606   5.854
  316   2HH2  ARG  38          2HH2      ARG  38   4.395  15.410   6.930
  317    H    HIS  39           H        HIS  39  -1.424  13.643   9.796
  318    HA   HIS  39           HA       HIS  39  -4.070  13.981  10.817
  319   1HB   HIS  39          1HB       HIS  39  -1.663  15.675  10.234
  320   2HB   HIS  39          2HB       HIS  39  -3.171  16.492  10.645
  321    HD1  HIS  39           HD1      HIS  39  -1.171  16.912  12.737
  322    HD2  HIS  39           HD2      HIS  39  -3.430  13.409  12.661
  323    HE1  HIS  39           HE1      HIS  39  -1.092  15.957  15.082
  324    H    ASN  40           H        ASN  40  -5.144  16.298  10.000
  325    HA   ASN  40           HA       ASN  40  -5.977  15.721   7.205
  326   1HB   ASN  40          1HB       ASN  40  -7.466  16.076   9.327
  327   2HB   ASN  40          2HB       ASN  40  -7.135  17.790   9.075
  328   1HD2  ASN  40          1HD2      ASN  40  -8.695  14.935   7.641
  329   2HD2  ASN  40          2HD2      ASN  40  -9.594  15.794   6.485
  330    H    ASP  41           H        ASP  41  -4.842  16.814   5.661
  331    HA   ASP  41           HA       ASP  41  -4.711  19.694   5.590
  332   1HB   ASP  41          1HB       ASP  41  -2.957  18.695   7.363
  333   2HB   ASP  41          2HB       ASP  41  -1.987  18.480   5.907
  334    H    ASP  42           H        ASP  42  -1.973  19.416   4.139
  335    HA   ASP  42           HA       ASP  42  -2.813  19.153   1.478
  336   1HB   ASP  42          1HB       ASP  42  -0.398  18.727   1.053
  337   2HB   ASP  42          2HB       ASP  42  -0.615  19.990   2.265
  338    H    TRP  43           H        TRP  43  -2.144  16.675   3.846
  339    HA   TRP  43           HA       TRP  43  -1.964  14.419   2.037
  340   1HB   TRP  43          1HB       TRP  43  -1.049  14.220   4.226
  341   2HB   TRP  43          2HB       TRP  43  -2.477  14.915   4.981
  342    HD1  TRP  43           HD1      TRP  43  -4.424  13.335   5.624
  343    HE1  TRP  43           HE1      TRP  43  -4.736  10.776   5.576
  344    HE3  TRP  43           HE3      TRP  43  -0.384  11.999   2.801
  345    HZ2  TRP  43           HZ2      TRP  43  -3.441   8.472   4.488
  346    HZ3  TRP  43           HZ3      TRP  43   0.055   9.621   2.276
  347    HH2  TRP  43           HH2      TRP  43  -1.469   7.854   3.114
  348    H    GLY  44           H        GLY  44  -4.589  15.888   3.963
  349   1HA   GLY  44          1HA       GLY  44  -6.634  14.036   3.309
  350   2HA   GLY  44          2HA       GLY  44  -6.917  15.723   3.738
  351    H    THR  45           H        THR  45  -5.202  16.646   1.456
  352    HA   THR  45           HA       THR  45  -7.320  16.498  -0.617
  353    HB   THR  45           HB       THR  45  -4.729  18.069  -0.362
  354    HG1  THR  45           HG1      THR  45  -5.932  19.168   0.944
  355   1HG2  THR  45          1HG2      THR  45  -6.771  19.170  -2.111
  356   2HG2  THR  45          2HG2      THR  45  -6.281  17.560  -2.646
  357   3HG2  THR  45          3HG2      THR  45  -5.074  18.835  -2.456
  358    H    ALA  46           H        ALA  46  -3.728  16.294  -0.743
  359    HA   ALA  46           HA       ALA  46  -3.460  15.131  -3.276
  360   1HB   ALA  46          1HB       ALA  46  -1.738  15.913  -1.480
  361   2HB   ALA  46          2HB       ALA  46  -1.277  14.570  -2.525
  362   3HB   ALA  46          3HB       ALA  46  -1.832  14.258  -0.881
  363    H    LEU  47           H        LEU  47  -3.534  13.301  -0.192
  364    HA   LEU  47           HA       LEU  47  -4.293  10.849  -1.683
  365   1HB   LEU  47          1HB       LEU  47  -3.410  11.549   1.126
  366   2HB   LEU  47          2HB       LEU  47  -4.085   9.962   0.768
  367    HG   LEU  47           HG       LEU  47  -1.652   9.860   0.596
  368   1HD1  LEU  47          1HD1      LEU  47  -3.447   9.115  -1.425
  369   2HD1  LEU  47          2HD1      LEU  47  -1.816   8.489  -1.184
  370   3HD1  LEU  47          3HD1      LEU  47  -2.088   9.849  -2.275
  371   1HD2  LEU  47          1HD2      LEU  47  -0.368  11.298  -0.785
  372   2HD2  LEU  47          2HD2      LEU  47  -1.496  12.367   0.048
  373   3HD2  LEU  47          3HD2      LEU  47  -1.798  11.898  -1.625
  374    H    GLU  48           H        GLU  48  -6.243  12.962  -1.654
  375    HA   GLU  48           HA       GLU  48  -8.162  12.672   0.456
  376   1HB   GLU  48          1HB       GLU  48  -9.626  13.865  -1.181
  377   2HB   GLU  48          2HB       GLU  48  -8.036  14.607  -1.044
  378   1HG   GLU  48          1HG       GLU  48  -8.125  14.506  -3.324
  379   2HG   GLU  48          2HG       GLU  48  -7.536  12.871  -3.049
  380    H    ASP  49           H        ASP  49  -7.324  10.478  -2.019
  381    HA   ASP  49           HA       ASP  49  -9.999   9.158  -1.830
  382   1HB   ASP  49          1HB       ASP  49  -8.700  10.067  -4.040
  383   2HB   ASP  49          2HB       ASP  49  -8.029   8.440  -3.949
  384    H    TYR  50           H        TYR  50  -9.773   6.714  -2.046
  385    HA   TYR  50           HA       TYR  50  -8.992   4.690  -1.097
  386   1HB   TYR  50          1HB       TYR  50  -6.396   6.096  -1.831
  387   2HB   TYR  50          2HB       TYR  50  -6.552   4.369  -1.516
  388    HD1  TYR  50           HD1      TYR  50  -9.161   3.778  -2.836
  389    HD2  TYR  50           HD2      TYR  50  -5.854   6.201  -4.125
  390    HE1  TYR  50           HE1      TYR  50  -9.804   3.402  -5.197
  391    HE2  TYR  50           HE2      TYR  50  -6.500   5.822  -6.488
  392    HH   TYR  50           HH       TYR  50  -8.175   3.527  -7.587
  393    H    LEU  51           H        LEU  51  -9.238   7.182   0.674
  394    HA   LEU  51           HA       LEU  51  -7.268   6.379   2.790
  395   1HB   LEU  51          1HB       LEU  51  -8.085   8.884   1.619
  396   2HB   LEU  51          2HB       LEU  51  -8.504   8.894   3.327
  397    HG   LEU  51           HG       LEU  51  -6.157   8.125   3.828
  398   1HD1  LEU  51          1HD1      LEU  51  -5.828   8.703   0.872
  399   2HD1  LEU  51          2HD1      LEU  51  -5.578   7.160   1.678
  400   3HD1  LEU  51          3HD1      LEU  51  -4.483   8.506   1.996
  401   1HD2  LEU  51          1HD2      LEU  51  -5.181  10.447   2.908
  402   2HD2  LEU  51          2HD2      LEU  51  -6.324  10.381   4.250
  403   3HD2  LEU  51          3HD2      LEU  51  -6.895  10.749   2.622
  404    H    PHE  52           H        PHE  52  -8.145   5.426   4.570
  405    HA   PHE  52           HA       PHE  52 -11.080   5.508   5.009
  406   1HB   PHE  52          1HB       PHE  52  -8.703   4.034   6.182
  407   2HB   PHE  52          2HB       PHE  52 -10.295   3.947   6.935
  408    HD1  PHE  52           HD1      PHE  52  -8.452   3.339   3.754
  409    HD2  PHE  52           HD2      PHE  52 -12.005   2.562   6.040
  410    HE1  PHE  52           HE1      PHE  52  -9.139   1.622   2.104
  411    HE2  PHE  52           HE2      PHE  52 -12.692   0.844   4.389
  412    HZ   PHE  52           HZ       PHE  52 -11.258   0.374   2.420
  413    H    SER  53           H        SER  53 -11.607   7.514   5.908
  414    HA   SER  53           HA       SER  53  -9.750   8.789   7.789
  415   1HB   SER  53          1HB       SER  53 -10.872  10.083   6.056
  416   2HB   SER  53          2HB       SER  53 -12.443   9.543   6.633
  417    HG   SER  53           HG       SER  53 -12.014  11.573   7.467
  418    H    ARG  54           H        ARG  54  -9.849   8.390   9.941
  419    HA   ARG  54           HA       ARG  54 -12.345   7.280  11.121
  420   1HB   ARG  54          1HB       ARG  54  -9.902   6.390  11.382
  421   2HB   ARG  54          2HB       ARG  54  -9.688   7.743  12.492
  422   1HG   ARG  54          1HG       ARG  54 -10.925   6.747  14.113
  423   2HG   ARG  54          2HG       ARG  54 -12.159   6.224  12.966
  424   1HD   ARG  54          1HD       ARG  54  -9.934   4.659  12.312
  425   2HD   ARG  54          2HD       ARG  54  -9.934   4.702  14.086
  426    HE   ARG  54           HE       ARG  54 -11.941   3.419  12.427
  427   1HH1  ARG  54          1HH1      ARG  54 -11.433   5.193  15.379
  428   2HH1  ARG  54          2HH1      ARG  54 -12.821   4.512  16.155
  429   1HH2  ARG  54          1HH2      ARG  54 -13.737   2.550  13.456
  430   2HH2  ARG  54          2HH2      ARG  54 -14.116   3.028  15.077
  431    H    LYS  55           H        LYS  55 -12.647   8.197  13.517
  432    HA   LYS  55           HA       LYS  55 -13.119  11.059  13.235
  433   1HB   LYS  55          1HB       LYS  55 -14.607   9.358  14.373
  434   2HB   LYS  55          2HB       LYS  55 -13.393   9.220  15.644
  435   1HG   LYS  55          1HG       LYS  55 -13.928  11.247  16.554
  436   2HG   LYS  55          2HG       LYS  55 -14.230  11.984  14.981
  437   1HD   LYS  55          1HD       LYS  55 -16.346  10.516  14.896
  438   2HD   LYS  55          2HD       LYS  55 -16.081  10.246  16.619
  439   1HE   LYS  55          1HE       LYS  55 -15.801  13.041  16.203
  440   2HE   LYS  55          2HE       LYS  55 -17.265  12.541  15.334
  441   1HZ   LYS  55          1HZ       LYS  55 -17.783  11.176  17.381
  442   2HZ   LYS  55          2HZ       LYS  55 -17.924  12.858  17.566
  443   3HZ   LYS  55          3HZ       LYS  55 -16.562  12.048  18.176
  444    H    ASN  56           H        ASN  56 -10.834  11.688  13.008
  445    HA   ASN  56           HA       ASN  56  -9.060  11.385  15.338
  446   1HB   ASN  56          1HB       ASN  56 -10.637  13.194  15.961
  447   2HB   ASN  56          2HB       ASN  56  -9.016  13.844  15.718
  448   1HD2  ASN  56          1HD2      ASN  56  -9.139  15.792  14.601
  449   2HD2  ASN  56          2HD2      ASN  56 -10.212  16.124  13.328
  450    H    MET  57           H        MET  57  -9.189  10.991  12.269
  451    HA   MET  57           HA       MET  57  -7.383  12.894  11.064
  452   1HB   MET  57          1HB       MET  57  -5.329  11.474  11.186
  453   2HB   MET  57          2HB       MET  57  -5.867  11.986  12.783
  454   1HG   MET  57          1HG       MET  57  -7.124   9.486  11.924
  455   2HG   MET  57          2HG       MET  57  -5.366   9.367  12.004
  456   1HE   MET  57          1HE       MET  57  -4.063   9.128  14.585
  457   2HE   MET  57          2HE       MET  57  -4.447  10.642  15.404
  458   3HE   MET  57          3HE       MET  57  -4.121  10.635  13.671
  459    H    SER  58           H        SER  58  -6.157  11.648   9.131
  460    HA   SER  58           HA       SER  58  -8.112   9.700   7.946
  461   1HB   SER  58          1HB       SER  58  -6.449  11.833   6.559
  462   2HB   SER  58          2HB       SER  58  -7.711  10.843   5.825
  463    HG   SER  58           HG       SER  58  -7.978  13.155   7.057
  464    H    ALA  59           H        ALA  59  -7.170   7.847   7.022
  465    HA   ALA  59           HA       ALA  59  -4.177   7.810   6.833
  466   1HB   ALA  59          1HB       ALA  59  -4.538   5.365   7.683
  467   2HB   ALA  59          2HB       ALA  59  -6.129   5.942   8.183
  468   3HB   ALA  59          3HB       ALA  59  -4.674   6.678   8.853
  469    H    MET  60           H        MET  60  -3.330   6.346   5.232
  470    HA   MET  60           HA       MET  60  -5.190   5.812   2.997
  471   1HB   MET  60          1HB       MET  60  -3.065   6.865   2.509
  472   2HB   MET  60          2HB       MET  60  -2.188   5.645   3.427
  473   1HG   MET  60          1HG       MET  60  -1.941   5.153   1.060
  474   2HG   MET  60          2HG       MET  60  -2.972   3.919   1.784
  475   1HE   MET  60          1HE       MET  60  -3.816   7.687  -0.158
  476   2HE   MET  60          2HE       MET  60  -3.463   6.646  -1.537
  477   3HE   MET  60          3HE       MET  60  -2.325   6.745  -0.193
  478    H    ALA  61           H        ALA  61  -5.390   3.697   2.045
  479    HA   ALA  61           HA       ALA  61  -5.280   1.508   4.016
  480   1HB   ALA  61          1HB       ALA  61  -6.507   2.133   1.366
  481   2HB   ALA  61          2HB       ALA  61  -7.250   1.433   2.804
  482   3HB   ALA  61          3HB       ALA  61  -6.265   0.427   1.742
  483    H    LEU  62           H        LEU  62  -3.023   1.012   4.183
  484    HA   LEU  62           HA       LEU  62  -1.045  -0.120   3.576
  485   1HB   LEU  62          1HB       LEU  62  -0.929   0.527   0.810
  486   2HB   LEU  62          2HB       LEU  62  -1.719   1.885   1.611
  487    HG   LEU  62           HG       LEU  62   0.184   1.723   3.349
  488   1HD1  LEU  62          1HD1      LEU  62   2.090   0.730   1.438
  489   2HD1  LEU  62          2HD1      LEU  62   0.835  -0.484   1.685
  490   3HD1  LEU  62          3HD1      LEU  62   1.748   0.132   3.062
  491   1HD2  LEU  62          1HD2      LEU  62  -0.097   3.444   1.476
  492   2HD2  LEU  62          2HD2      LEU  62   1.051   2.477   0.552
  493   3HD2  LEU  62          3HD2      LEU  62   1.546   3.214   2.075
  494    H    GLY  63           H        GLY  63  -3.613  -1.561   3.297
  495   1HA   GLY  63          1HA       GLY  63  -2.621  -3.724   1.565
  496   2HA   GLY  63          2HA       GLY  63  -4.005  -3.822   2.651
  497    H    PHE  64           H        PHE  64  -5.644  -4.450   1.290
  498    HA   PHE  64           HA       PHE  64  -5.932  -3.198  -1.376
  499   1HB   PHE  64          1HB       PHE  64  -7.497  -5.319   0.144
  500   2HB   PHE  64          2HB       PHE  64  -7.741  -4.910  -1.553
  501    HD1  PHE  64           HD1      PHE  64  -6.216  -5.656  -3.256
  502    HD2  PHE  64           HD2      PHE  64  -5.346  -6.333   0.895
  503    HE1  PHE  64           HE1      PHE  64  -4.380  -7.196  -3.892
  504    HE2  PHE  64           HE2      PHE  64  -3.510  -7.873   0.260
  505    HZ   PHE  64           HZ       PHE  64  -3.027  -8.305  -2.134
  506    H    GLY  65           H        GLY  65  -6.497  -1.842   1.396
  507   1HA   GLY  65          1HA       GLY  65  -9.300  -1.404   1.608
  508   2HA   GLY  65          2HA       GLY  65  -8.068  -0.312   2.222
  509    H    ALA  66           H        ALA  66  -6.973  -0.192  -0.658
  510    HA   ALA  66           HA       ALA  66  -8.656   2.100  -1.465
  511   1HB   ALA  66          1HB       ALA  66  -6.155   2.144  -1.338
  512   2HB   ALA  66          2HB       ALA  66  -6.748   2.531  -2.953
  513   3HB   ALA  66          3HB       ALA  66  -6.097   0.927  -2.613
  514    H    ILE  67           H        ILE  67  -7.231  -0.694  -3.207
  515    HA   ILE  67           HA       ILE  67  -8.670  -0.448  -5.598
  516    HB   ILE  67           HB       ILE  67  -8.207  -2.930  -5.771
  517   1HG1  ILE  67          1HG1      ILE  67  -6.612  -3.542  -3.674
  518   2HG1  ILE  67          2HG1      ILE  67  -7.791  -2.521  -2.856
  519   1HG2  ILE  67          1HG2      ILE  67  -6.130  -0.935  -4.911
  520   2HG2  ILE  67          2HG2      ILE  67  -6.441  -1.593  -6.520
  521   3HG2  ILE  67          3HG2      ILE  67  -5.667  -2.595  -5.289
  522   1HD1  ILE  67          1HD1      ILE  67  -9.328  -4.137  -4.536
  523   2HD1  ILE  67          2HD1      ILE  67  -9.144  -4.316  -2.790
  524   3HD1  ILE  67          3HD1      ILE  67  -8.099  -5.222  -3.884
  525    H    PHE  68           H        PHE  68  -9.903  -1.466  -2.500
  526    HA   PHE  68           HA       PHE  68 -11.975  -3.211  -3.124
  527   1HB   PHE  68          1HB       PHE  68 -11.392  -1.118  -1.127
  528   2HB   PHE  68          2HB       PHE  68 -13.112  -1.439  -1.314
  529    HD1  PHE  68           HD1      PHE  68 -12.998  -4.385  -2.018
  530    HD2  PHE  68           HD2      PHE  68 -10.943  -2.090   0.967
  531    HE1  PHE  68           HE1      PHE  68 -12.746  -6.420  -0.627
  532    HE2  PHE  68           HE2      PHE  68 -10.688  -4.119   2.358
  533    HZ   PHE  68           HZ       PHE  68 -11.589  -6.288   1.563
  534    H    ASN  69           H        ASN  69 -14.109  -2.986  -3.911
  535    HA   ASN  69           HA       ASN  69 -14.696  -0.370  -5.257
  536   1HB   ASN  69          1HB       ASN  69 -15.372  -3.242  -5.996
  537   2HB   ASN  69          2HB       ASN  69 -15.880  -1.827  -6.918
  538   1HD2  ASN  69          1HD2      ASN  69 -14.242  -3.708  -8.215
  539   2HD2  ASN  69          2HD2      ASN  69 -12.685  -3.059  -8.423
  540    H    HIS  70           H        HIS  70 -17.155  -0.135  -5.649
  541    HA   HIS  70           HA       HIS  70 -18.531  -0.634  -3.071
  542   1HB   HIS  70          1HB       HIS  70 -18.452   1.612  -4.134
  543   2HB   HIS  70          2HB       HIS  70 -19.273   0.961  -5.553
  544    HD1  HIS  70           HD1      HIS  70 -19.863   2.078  -2.046
  545    HD2  HIS  70           HD2      HIS  70 -22.039   0.268  -5.106
  546    HE1  HIS  70           HE1      HIS  70 -22.299   2.200  -1.362
  547    H    SER  71           H        SER  71 -20.529  -1.752  -2.945
  548    HA   SER  71           HA       SER  71 -21.755  -2.909  -5.354
  549   1HB   SER  71          1HB       SER  71 -19.922  -4.444  -5.054
  550   2HB   SER  71          2HB       SER  71 -20.181  -4.509  -3.311
  551    HG   SER  71           HG       SER  71 -21.209  -6.081  -5.138
  552    H    LYS  72           H        LYS  72 -23.930  -3.109  -4.940
  553    HA   LYS  72           HA       LYS  72 -25.185  -2.266  -2.574
  554   1HB   LYS  72          1HB       LYS  72 -25.838  -3.746  -5.038
  555   2HB   LYS  72          2HB       LYS  72 -26.919  -4.112  -3.695
  556   1HG   LYS  72          1HG       LYS  72 -27.940  -2.239  -4.675
  557   2HG   LYS  72          2HG       LYS  72 -26.992  -1.520  -3.373
  558   1HD   LYS  72          1HD       LYS  72 -25.464  -0.583  -4.818
  559   2HD   LYS  72          2HD       LYS  72 -25.635  -1.877  -6.004
  560   1HE   LYS  72          1HE       LYS  72 -28.105  -0.319  -5.632
  561   2HE   LYS  72          2HE       LYS  72 -26.751   0.636  -6.264
  562   1HZ   LYS  72          1HZ       LYS  72 -27.604  -2.022  -7.298
  563   2HZ   LYS  72          2HZ       LYS  72 -26.352  -1.060  -7.923
  564   3HZ   LYS  72          3HZ       LYS  72 -27.963  -0.536  -8.038
  565    H    ASP  73           H        ASP  73 -23.846  -5.424  -3.363
  566    HA   ASP  73           HA       ASP  73 -24.820  -6.448  -0.716
  567   1HB   ASP  73          1HB       ASP  73 -25.671  -7.538  -2.825
  568   2HB   ASP  73          2HB       ASP  73 -24.007  -7.973  -3.217
  569    HA   PRO  74           HA       PRO  74 -20.181  -6.040  -0.597
  570   1HB   PRO  74          1HB       PRO  74 -20.169  -5.263   2.074
  571   2HB   PRO  74          2HB       PRO  74 -20.181  -4.137   0.705
  572   1HG   PRO  74          1HG       PRO  74 -22.414  -5.033   2.449
  573   2HG   PRO  74          2HG       PRO  74 -22.122  -3.453   1.711
  574   1HD   PRO  74          1HD       PRO  74 -23.949  -5.229   0.764
  575   2HD   PRO  74          2HD       PRO  74 -23.103  -4.059  -0.271
  576    H    ASN  75           H        ASN  75 -19.709  -8.246  -0.575
  577    HA   ASN  75           HA       ASN  75 -20.751 -10.092   1.394
  578   1HB   ASN  75          1HB       ASN  75 -18.451 -10.188  -0.592
  579   2HB   ASN  75          2HB       ASN  75 -19.052 -11.592   0.290
  580   1HD2  ASN  75          1HD2      ASN  75 -19.663 -12.511  -1.877
  581   2HD2  ASN  75          2HD2      ASN  75 -21.089 -11.985  -2.631
  582    H    ALA  76           H        ALA  76 -18.237  -7.762   1.527
  583    HA   ALA  76           HA       ALA  76 -17.259  -8.977   4.059
  584   1HB   ALA  76          1HB       ALA  76 -15.602  -9.814   2.652
  585   2HB   ALA  76          2HB       ALA  76 -14.907  -8.236   3.022
  586   3HB   ALA  76          3HB       ALA  76 -15.769  -8.485   1.504
  587    H    ARG  77           H        ARG  77 -16.048  -7.404   5.377
  588    HA   ARG  77           HA       ARG  77 -16.623  -4.552   4.638
  589   1HB   ARG  77          1HB       ARG  77 -18.139  -5.635   6.368
  590   2HB   ARG  77          2HB       ARG  77 -16.719  -5.825   7.396
  591   1HG   ARG  77          1HG       ARG  77 -17.511  -3.781   8.159
  592   2HG   ARG  77          2HG       ARG  77 -16.419  -3.238   6.885
  593   1HD   ARG  77          1HD       ARG  77 -18.419  -3.292   5.302
  594   2HD   ARG  77          2HD       ARG  77 -19.436  -3.523   6.737
  595    HE   ARG  77           HE       ARG  77 -17.763  -1.384   7.384
  596   1HH1  ARG  77          1HH1      ARG  77 -20.047  -2.110   4.860
  597   2HH1  ARG  77          2HH1      ARG  77 -20.479  -0.452   4.623
  598   1HH2  ARG  77          1HH2      ARG  77 -18.339   0.759   7.058
  599   2HH2  ARG  77          2HH2      ARG  77 -19.520   1.162   5.857
  600    H    HIS  78           H        HIS  78 -15.065  -3.013   5.509
  601    HA   HIS  78           HA       HIS  78 -12.362  -4.172   5.794
  602   1HB   HIS  78          1HB       HIS  78 -11.704  -1.801   5.509
  603   2HB   HIS  78          2HB       HIS  78 -12.874  -2.271   4.276
  604    HD1  HIS  78           HD1      HIS  78 -15.100  -1.050   4.246
  605    HD2  HIS  78           HD2      HIS  78 -12.851  -0.178   7.646
  606    HE1  HIS  78           HE1      HIS  78 -16.297   0.841   5.430
  607    H    GLU  79           H        GLU  79 -11.218  -4.199   7.705
  608    HA   GLU  79           HA       GLU  79 -12.513  -2.951  10.108
  609   1HB   GLU  79          1HB       GLU  79 -12.277  -5.531   9.752
  610   2HB   GLU  79          2HB       GLU  79 -10.572  -5.266  10.120
  611   1HG   GLU  79          1HG       GLU  79 -11.047  -4.480  12.297
  612   2HG   GLU  79          2HG       GLU  79 -12.745  -4.194  11.919
  613    H    LEU  80           H        LEU  80 -10.886  -2.312  11.818
  614    HA   LEU  80           HA       LEU  80  -8.315  -1.388  10.569
  615   1HB   LEU  80          1HB       LEU  80 -10.369  -0.088  12.340
  616   2HB   LEU  80          2HB       LEU  80  -8.701   0.467  12.416
  617    HG   LEU  80           HG       LEU  80 -10.366   0.280   9.887
  618   1HD1  LEU  80          1HD1      LEU  80  -9.846   2.458  11.861
  619   2HD1  LEU  80          2HD1      LEU  80 -11.281   2.150  10.883
  620   3HD1  LEU  80          3HD1      LEU  80  -9.858   2.894  10.152
  621   1HD2  LEU  80          1HD2      LEU  80  -8.284   1.904   9.316
  622   2HD2  LEU  80          2HD2      LEU  80  -8.239   0.161   9.049
  623   3HD2  LEU  80          3HD2      LEU  80  -7.521   0.849  10.505
  624    H    THR  81           H        THR  81  -6.535  -1.127  12.124
  625    HA   THR  81           HA       THR  81  -6.805  -2.890  14.531
  626    HB   THR  81           HB       THR  81  -4.705  -2.751  12.343
  627    HG1  THR  81           HG1      THR  81  -6.197  -4.947  13.310
  628   1HG2  THR  81          1HG2      THR  81  -3.429  -3.049  14.312
  629   2HG2  THR  81          2HG2      THR  81  -3.672  -4.680  13.688
  630   3HG2  THR  81          3HG2      THR  81  -4.646  -4.097  15.039
  631    H    ALA  82           H        ALA  82  -6.319  -1.672  16.317
  632    HA   ALA  82           HA       ALA  82  -5.344   0.002  17.669
  633   1HB   ALA  82          1HB       ALA  82  -2.864   0.351  16.372
  634   2HB   ALA  82          2HB       ALA  82  -3.352  -1.300  15.992
  635   3HB   ALA  82          3HB       ALA  82  -3.214  -0.786  17.673
  636    H    GLY  83           H        GLY  83  -7.068   1.337  16.260
  637   1HA   GLY  83          1HA       GLY  83  -7.494   3.520  15.475
  638   2HA   GLY  83          2HA       GLY  83  -5.764   3.845  15.584
  639    H    LEU  84           H        LEU  84  -4.857   4.252  13.632
  640    HA   LEU  84           HA       LEU  84  -6.041   2.918  11.216
  641   1HB   LEU  84          1HB       LEU  84  -4.747   5.630  11.666
  642   2HB   LEU  84          2HB       LEU  84  -5.149   5.005  10.067
  643    HG   LEU  84           HG       LEU  84  -7.204   5.171  12.273
  644   1HD1  LEU  84          1HD1      LEU  84  -6.010   7.411  11.539
  645   2HD1  LEU  84          2HD1      LEU  84  -7.766   7.354  11.689
  646   3HD1  LEU  84          3HD1      LEU  84  -7.013   7.230  10.099
  647   1HD2  LEU  84          1HD2      LEU  84  -8.527   5.483   9.948
  648   2HD2  LEU  84          2HD2      LEU  84  -8.170   3.894  10.624
  649   3HD2  LEU  84          3HD2      LEU  84  -7.141   4.565   9.358
  650    H    LYS  85           H        LYS  85  -3.770   2.051  13.050
  651    HA   LYS  85           HA       LYS  85  -1.300   2.437  11.553
  652   1HB   LYS  85          1HB       LYS  85  -2.272   0.725  13.847
  653   2HB   LYS  85          2HB       LYS  85  -0.646   0.522  13.197
  654   1HG   LYS  85          1HG       LYS  85  -1.723   3.218  14.051
  655   2HG   LYS  85          2HG       LYS  85  -0.877   2.145  15.166
  656   1HD   LYS  85          1HD       LYS  85   1.150   2.337  14.022
  657   2HD   LYS  85          2HD       LYS  85   0.366   2.789  12.508
  658   1HE   LYS  85          1HE       LYS  85  -0.422   4.871  14.059
  659   2HE   LYS  85          2HE       LYS  85   1.136   4.497  14.819
  660   1HZ   LYS  85          1HZ       LYS  85   0.655   4.873  11.904
  661   2HZ   LYS  85          2HZ       LYS  85   2.147   4.469  12.609
  662   3HZ   LYS  85          3HZ       LYS  85   1.439   5.980  12.926
  663    H    ARG  86           H        ARG  86  -3.317  -0.466  12.171
  664    HA   ARG  86           HA       ARG  86  -2.299  -1.595   9.584
  665   1HB   ARG  86          1HB       ARG  86  -2.325  -2.533  12.304
  666   2HB   ARG  86          2HB       ARG  86  -3.304  -3.612  11.310
  667   1HG   ARG  86          1HG       ARG  86  -0.992  -2.992   9.788
  668   2HG   ARG  86          2HG       ARG  86  -0.434  -3.375  11.415
  669   1HD   ARG  86          1HD       ARG  86  -1.577  -5.497  11.372
  670   2HD   ARG  86          2HD       ARG  86  -2.375  -5.103   9.846
  671    HE   ARG  86           HE       ARG  86  -0.337  -5.583   8.730
  672   1HH1  ARG  86          1HH1      ARG  86   0.187  -5.132  12.142
  673   2HH1  ARG  86          2HH1      ARG  86   1.849  -5.602  12.060
  674   1HH2  ARG  86          1HH2      ARG  86   1.822  -6.189   8.650
  675   2HH2  ARG  86          2HH2      ARG  86   2.771  -6.196  10.099
  676    H    MET  87           H        MET  87  -3.862  -2.689   8.267
  677    HA   MET  87           HA       MET  87  -6.712  -2.107   9.007
  678   1HB   MET  87          1HB       MET  87  -5.058  -1.489   6.740
  679   2HB   MET  87          2HB       MET  87  -6.349  -2.564   6.207
  680   1HG   MET  87          1HG       MET  87  -7.981  -1.050   7.410
  681   2HG   MET  87          2HG       MET  87  -6.649   0.075   7.669
  682   1HE   MET  87          1HE       MET  87  -8.862  -1.826   5.220
  683   2HE   MET  87          2HE       MET  87  -9.205  -0.563   4.038
  684   3HE   MET  87          3HE       MET  87  -9.624  -0.320   5.734
  685    H    ARG  88           H        ARG  88  -8.249  -3.761   8.628
  686    HA   ARG  88           HA       ARG  88  -7.122  -6.442   7.880
  687   1HB   ARG  88          1HB       ARG  88  -8.633  -5.430  10.210
  688   2HB   ARG  88          2HB       ARG  88  -9.280  -6.925   9.531
  689   1HG   ARG  88          1HG       ARG  88  -6.973  -7.899   9.629
  690   2HG   ARG  88          2HG       ARG  88  -6.439  -6.440  10.462
  691   1HD   ARG  88          1HD       ARG  88  -8.706  -7.188  11.893
  692   2HD   ARG  88          2HD       ARG  88  -7.916  -8.733  11.526
  693    HE   ARG  88           HE       ARG  88  -5.944  -6.796  12.315
  694   1HH1  ARG  88          1HH1      ARG  88  -8.507  -8.776  13.591
  695   2HH1  ARG  88          2HH1      ARG  88  -7.794  -8.879  15.163
  696   1HH2  ARG  88          1HH2      ARG  88  -5.039  -6.944  14.365
  697   2HH2  ARG  88          2HH2      ARG  88  -5.846  -7.851  15.600
  698    H    ILE  89           H        ILE  89  -8.807  -7.928   6.999
  699    HA   ILE  89           HA       ILE  89 -11.175  -6.522   5.834
  700    HB   ILE  89           HB       ILE  89  -9.040  -8.185   4.451
  701   1HG1  ILE  89          1HG1      ILE  89 -10.124  -5.556   3.505
  702   2HG1  ILE  89          2HG1      ILE  89  -8.997  -5.565   4.857
  703   1HG2  ILE  89          1HG2      ILE  89 -11.743  -7.293   3.396
  704   2HG2  ILE  89          2HG2      ILE  89 -11.218  -8.958   3.643
  705   3HG2  ILE  89          3HG2      ILE  89 -10.451  -7.966   2.403
  706   1HD1  ILE  89          1HD1      ILE  89  -8.132  -7.301   2.666
  707   2HD1  ILE  89          2HD1      ILE  89  -7.238  -6.042   3.520
  708   3HD1  ILE  89          3HD1      ILE  89  -8.295  -5.615   2.172
  709    H    PHE  90           H        PHE  90 -12.876  -7.646   6.706
  710    HA   PHE  90           HA       PHE  90 -12.587 -10.608   7.045
  711   1HB   PHE  90          1HB       PHE  90 -13.828  -8.360   8.554
  712   2HB   PHE  90          2HB       PHE  90 -14.717  -9.884   8.569
  713    HD1  PHE  90           HD1      PHE  90 -13.968 -11.736   9.851
  714    HD2  PHE  90           HD2      PHE  90 -11.383  -8.358   9.248
  715    HE1  PHE  90           HE1      PHE  90 -12.374 -12.659  11.511
  716    HE2  PHE  90           HE2      PHE  90  -9.792  -9.280  10.906
  717    HZ   PHE  90           HZ       PHE  90 -10.279 -11.437  12.028
  718    H    THR  91           H        THR  91 -14.935 -11.643   7.031
  719    HA   THR  91           HA       THR  91 -16.379 -10.593   4.620
  720    HB   THR  91           HB       THR  91 -16.877 -13.106   4.323
  721    HG1  THR  91           HG1      THR  91 -16.195 -14.296   5.887
  722   1HG2  THR  91          1HG2      THR  91 -15.032 -11.637   3.191
  723   2HG2  THR  91          2HG2      THR  91 -14.928 -13.393   3.053
  724   3HG2  THR  91          3HG2      THR  91 -13.924 -12.540   4.226
  725    H    ILE  92           H        ILE  92 -18.108  -9.550   5.712
  726    HA   ILE  92           HA       ILE  92 -19.452 -10.394   8.039
  727    HB   ILE  92           HB       ILE  92 -21.353  -9.067   7.032
  728   1HG1  ILE  92          1HG1      ILE  92 -19.527  -8.690   4.654
  729   2HG1  ILE  92          2HG1      ILE  92 -20.782  -9.928   4.669
  730   1HG2  ILE  92          1HG2      ILE  92 -19.556  -7.096   6.380
  731   2HG2  ILE  92          2HG2      ILE  92 -18.555  -8.189   7.336
  732   3HG2  ILE  92          3HG2      ILE  92 -20.029  -7.511   8.028
  733   1HD1  ILE  92          1HD1      ILE  92 -21.035  -7.008   4.408
  734   2HD1  ILE  92          2HD1      ILE  92 -22.154  -7.723   5.568
  735   3HD1  ILE  92          3HD1      ILE  92 -22.140  -8.284   3.896
  736    H    LYS  93           H        LYS  93 -19.691 -11.606   4.746
  737    HA   LYS  93           HA       LYS  93 -21.540 -13.736   5.751
  738   1HB   LYS  93          1HB       LYS  93 -22.719 -13.518   3.543
  739   2HB   LYS  93          2HB       LYS  93 -22.831 -12.056   4.521
  740   1HG   LYS  93          1HG       LYS  93 -21.864 -10.873   2.872
  741   2HG   LYS  93          2HG       LYS  93 -20.433 -11.896   2.975
  742   1HD   LYS  93          1HD       LYS  93 -20.953 -12.646   0.910
  743   2HD   LYS  93          2HD       LYS  93 -22.325 -13.474   1.645
  744   1HE   LYS  93          1HE       LYS  93 -22.691 -10.571   1.066
  745   2HE   LYS  93          2HE       LYS  93 -22.651 -11.667  -0.328
  746   1HZ   LYS  93          1HZ       LYS  93 -24.245 -13.101   0.859
  747   2HZ   LYS  93          2HZ       LYS  93 -24.888 -11.561   0.546
  748   3HZ   LYS  93          3HZ       LYS  93 -24.342 -11.951   2.106
  749    HA   PRO  94           HA       PRO  94 -18.589 -16.573   4.127
  750   1HB   PRO  94          1HB       PRO  94 -20.902 -18.018   3.018
  751   2HB   PRO  94          2HB       PRO  94 -19.620 -18.616   4.068
  752   1HG   PRO  94          1HG       PRO  94 -22.104 -18.114   4.971
  753   2HG   PRO  94          2HG       PRO  94 -20.663 -17.892   5.970
  754   1HD   PRO  94          1HD       PRO  94 -22.424 -15.868   4.729
  755   2HD   PRO  94          2HD       PRO  94 -21.395 -15.746   6.172
  756    H    ILE  95           H        ILE  95 -17.553 -16.911   2.120
  757    HA   ILE  95           HA       ILE  95 -18.955 -15.730  -0.259
  758    HB   ILE  95           HB       ILE  95 -16.057 -15.629   0.655
  759   1HG1  ILE  95          1HG1      ILE  95 -18.131 -13.451   0.254
  760   2HG1  ILE  95          2HG1      ILE  95 -17.635 -14.103   1.816
  761   1HG2  ILE  95          1HG2      ILE  95 -17.353 -15.057  -1.967
  762   2HG2  ILE  95          2HG2      ILE  95 -15.710 -15.597  -1.619
  763   3HG2  ILE  95          3HG2      ILE  95 -16.144 -13.901  -1.406
  764   1HD1  ILE  95          1HD1      ILE  95 -16.131 -12.335  -0.068
  765   2HD1  ILE  95          2HD1      ILE  95 -15.209 -13.493   0.890
  766   3HD1  ILE  95          3HD1      ILE  95 -16.211 -12.285   1.693
  767    H    ALA  96           H        ALA  96 -18.618 -16.792  -2.258
  768    HA   ALA  96           HA       ALA  96 -17.780 -19.621  -2.053
  769   1HB   ALA  96          1HB       ALA  96 -19.357 -19.825  -3.680
  770   2HB   ALA  96          2HB       ALA  96 -18.551 -18.621  -4.685
  771   3HB   ALA  96          3HB       ALA  96 -19.702 -18.110  -3.450
  772    H    ILE  97           H        ILE  97 -16.139 -20.516  -3.410
  773    HA   ILE  97           HA       ILE  97 -13.732 -19.105  -3.679
  774    HB   ILE  97           HB       ILE  97 -14.898 -21.482  -5.171
  775   1HG1  ILE  97          1HG1      ILE  97 -12.837 -21.571  -2.986
  776   2HG1  ILE  97          2HG1      ILE  97 -14.537 -21.365  -2.570
  777   1HG2  ILE  97          1HG2      ILE  97 -12.469 -20.066  -5.691
  778   2HG2  ILE  97          2HG2      ILE  97 -13.029 -21.570  -6.420
  779   3HG2  ILE  97          3HG2      ILE  97 -12.050 -21.612  -4.954
  780   1HD1  ILE  97          1HD1      ILE  97 -14.656 -23.401  -4.410
  781   2HD1  ILE  97          2HD1      ILE  97 -14.623 -23.633  -2.662
  782   3HD1  ILE  97          3HD1      ILE  97 -13.129 -23.742  -3.595
  783    H    GLY  98           H        GLY  98 -16.511 -19.006  -5.774
  784   1HA   GLY  98          1HA       GLY  98 -14.880 -17.560  -7.821
  785   2HA   GLY  98          2HA       GLY  98 -16.382 -18.410  -8.184
  786    H    GLU  99           H        GLU  99 -15.326 -15.909  -5.820
  787    HA   GLU  99           HA       GLU  99 -17.705 -14.299  -6.705
  788   1HB   GLU  99          1HB       GLU  99 -16.889 -15.380  -4.054
  789   2HB   GLU  99          2HB       GLU  99 -17.509 -13.729  -4.053
  790   1HG   GLU  99          1HG       GLU  99 -19.053 -15.668  -5.679
  791   2HG   GLU  99          2HG       GLU  99 -19.104 -15.930  -3.936
  792    H    GLU 100           H        GLU 100 -17.450 -11.989  -5.576
  793    HA   GLU 100           HA       GLU 100 -14.587 -11.134  -5.862
  794   1HB   GLU 100          1HB       GLU 100 -16.231 -10.618  -7.770
  795   2HB   GLU 100          2HB       GLU 100 -17.049  -9.539  -6.639
  796   1HG   GLU 100          1HG       GLU 100 -14.548  -8.656  -6.275
  797   2HG   GLU 100          2HG       GLU 100 -14.362  -9.270  -7.918
  798    H    ILE 101           H        ILE 101 -13.850 -10.067  -4.070
  799    HA   ILE 101           HA       ILE 101 -15.750  -9.388  -1.916
  800    HB   ILE 101           HB       ILE 101 -12.721  -9.273  -2.163
  801   1HG1  ILE 101          1HG1      ILE 101 -14.564 -11.332  -0.911
  802   2HG1  ILE 101          2HG1      ILE 101 -13.652 -11.544  -2.405
  803   1HG2  ILE 101          1HG2      ILE 101 -14.053  -9.526   0.474
  804   2HG2  ILE 101          2HG2      ILE 101 -14.208  -7.954  -0.310
  805   3HG2  ILE 101          3HG2      ILE 101 -12.609  -8.618   0.026
  806   1HD1  ILE 101          1HD1      ILE 101 -12.725 -11.642   0.403
  807   2HD1  ILE 101          2HD1      ILE 101 -11.667 -10.763  -0.702
  808   3HD1  ILE 101          3HD1      ILE 101 -12.077 -12.448  -1.026
  809    H    THR 102           H        THR 102 -16.388  -7.333  -1.451
  810    HA   THR 102           HA       THR 102 -14.800  -5.006  -2.366
  811    HB   THR 102           HB       THR 102 -16.987  -4.115  -3.412
  812    HG1  THR 102           HG1      THR 102 -17.609  -6.869  -3.490
  813   1HG2  THR 102          1HG2      THR 102 -15.963  -6.577  -4.816
  814   2HG2  THR 102          2HG2      THR 102 -14.923  -5.170  -4.594
  815   3HG2  THR 102          3HG2      THR 102 -16.423  -5.023  -5.511
  816    H    ILE 103           H        ILE 103 -15.786  -2.948  -1.441
  817    HA   ILE 103           HA       ILE 103 -17.519  -3.478   0.938
  818    HB   ILE 103           HB       ILE 103 -15.942  -2.125   2.281
  819   1HG1  ILE 103          1HG1      ILE 103 -13.625  -1.937   0.821
  820   2HG1  ILE 103          2HG1      ILE 103 -14.845  -1.591  -0.404
  821   1HG2  ILE 103          1HG2      ILE 103 -15.572  -4.708   1.446
  822   2HG2  ILE 103          2HG2      ILE 103 -14.588  -3.911   2.675
  823   3HG2  ILE 103          3HG2      ILE 103 -14.030  -3.976   1.003
  824   1HD1  ILE 103          1HD1      ILE 103 -15.172   0.465   0.454
  825   2HD1  ILE 103          2HD1      ILE 103 -13.868   0.161   1.602
  826   3HD1  ILE 103          3HD1      ILE 103 -15.533  -0.225   2.036
  827    H    SER 104           H        SER 104 -18.647  -1.553   1.693
  828    HA   SER 104           HA       SER 104 -19.184   0.378  -0.489
  829   1HB   SER 104          1HB       SER 104 -20.993  -0.807   0.747
  830   2HB   SER 104          2HB       SER 104 -20.438  -0.066   2.248
  831    HG   SER 104           HG       SER 104 -21.718   1.494   1.712
  832    H    TYR 105           H        TYR 105 -19.966   2.598   1.010
  833    HA   TYR 105           HA       TYR 105 -17.468   3.429   2.450
  834   1HB   TYR 105          1HB       TYR 105 -19.081   5.080   0.468
  835   2HB   TYR 105          2HB       TYR 105 -17.535   5.518   1.191
  836    HD1  TYR 105           HD1      TYR 105 -18.684   4.810  -1.831
  837    HD2  TYR 105           HD2      TYR 105 -15.994   3.027   1.004
  838    HE1  TYR 105           HE1      TYR 105 -17.505   3.651  -3.679
  839    HE2  TYR 105           HE2      TYR 105 -14.814   1.869  -0.846
  840    HH   TYR 105           HH       TYR 105 -14.501   1.965  -3.168
  841    H    GLY 106           H        GLY 106 -20.775   4.566   1.654
  842   1HA   GLY 106          1HA       GLY 106 -22.459   5.416   3.046
  843   2HA   GLY 106          2HA       GLY 106 -21.610   4.674   4.400
  844    H    ASP 107           H        ASP 107 -22.811   7.178   4.666
  845    HA   ASP 107           HA       ASP 107 -22.345   9.361   5.417
  846   1HB   ASP 107          1HB       ASP 107 -20.688   7.602   6.600
  847   2HB   ASP 107          2HB       ASP 107 -19.480   8.571   5.756
  848    H    ASP 108           H        ASP 108 -22.477  10.705   3.638
  849    HA   ASP 108           HA       ASP 108 -21.761  12.148   1.935
  850   1HB   ASP 108          1HB       ASP 108 -19.246  11.545   3.501
  851   2HB   ASP 108          2HB       ASP 108 -19.250  12.695   2.168
  852    H    TYR 109           H        TYR 109 -18.888  10.027   2.067
  853    HA   TYR 109           HA       TYR 109 -18.231   9.905  -0.593
  854   1HB   TYR 109          1HB       TYR 109 -17.909   8.297   1.801
  855   2HB   TYR 109          2HB       TYR 109 -17.957   7.266   0.371
  856    HD1  TYR 109           HD1      TYR 109 -15.746   6.689  -0.163
  857    HD2  TYR 109           HD2      TYR 109 -16.678  10.754   0.865
  858    HE1  TYR 109           HE1      TYR 109 -13.427   7.364  -0.726
  859    HE2  TYR 109           HE2      TYR 109 -14.359  11.429   0.302
  860    HH   TYR 109           HH       TYR 109 -11.918   9.731   0.232
  861    H    TRP 110           H        TRP 110 -19.686   9.690  -2.257
  862    HA   TRP 110           HA       TRP 110 -21.405   8.793  -3.596
  863   1HB   TRP 110          1HB       TRP 110 -19.351   7.003  -2.997
  864   2HB   TRP 110          2HB       TRP 110 -20.817   6.055  -2.740
  865    HD1  TRP 110           HD1      TRP 110 -22.237   5.413  -4.802
  866    HE1  TRP 110           HE1      TRP 110 -21.941   5.702  -7.348
  867    HE3  TRP 110           HE3      TRP 110 -18.323   8.684  -4.859
  868    HZ2  TRP 110           HZ2      TRP 110 -20.261   7.137  -9.167
  869    HZ3  TRP 110           HZ3      TRP 110 -17.394   9.497  -7.008
  870    HH2  TRP 110           HH2      TRP 110 -18.357   8.729  -9.160
  871    H    LEU 111           H        LEU 111 -22.734   6.238  -3.115
  872    HA   LEU 111           HA       LEU 111 -25.110   6.974  -1.903
  873   1HB   LEU 111          1HB       LEU 111 -24.692   4.913  -3.194
  874   2HB   LEU 111          2HB       LEU 111 -23.711   4.274  -1.875
  875    HG   LEU 111           HG       LEU 111 -26.520   5.157  -1.299
  876   1HD1  LEU 111          1HD1      LEU 111 -26.333   3.564  -3.379
  877   2HD1  LEU 111          2HD1      LEU 111 -27.493   3.187  -2.105
  878   3HD1  LEU 111          3HD1      LEU 111 -25.950   2.336  -2.172
  879   1HD2  LEU 111          1HD2      LEU 111 -24.414   3.411  -0.126
  880   2HD2  LEU 111          2HD2      LEU 111 -26.085   2.895   0.100
  881   3HD2  LEU 111          3HD2      LEU 111 -25.565   4.478   0.677
  882    H    SER 112           H        SER 112 -25.883   7.141   0.182
  883    HA   SER 112           HA       SER 112 -23.960   6.546   2.407
  884   1HB   SER 112          1HB       SER 112 -26.169   8.605   2.054
  885   2HB   SER 112          2HB       SER 112 -25.289   8.370   3.564
  886    HG   SER 112           HG       SER 112 -23.350   8.742   2.303
  887    H    ARG 113           H        ARG 113 -27.139   5.972   1.102
  888    HA   ARG 113           HA       ARG 113 -28.666   5.204   3.321
  889   1HB   ARG 113          1HB       ARG 113 -28.479   4.658   0.439
  890   2HB   ARG 113          2HB       ARG 113 -29.217   3.330   1.334
  891   1HG   ARG 113          1HG       ARG 113 -30.830   4.879   2.346
  892   2HG   ARG 113          2HG       ARG 113 -30.068   6.237   1.517
  893   1HD   ARG 113          1HD       ARG 113 -30.549   4.892  -0.666
  894   2HD   ARG 113          2HD       ARG 113 -31.698   3.986   0.337
  895    HE   ARG 113           HE       ARG 113 -31.980   6.771  -0.495
  896   1HH1  ARG 113          1HH1      ARG 113 -32.720   4.424   1.966
  897   2HH1  ARG 113          2HH1      ARG 113 -34.115   5.282   2.520
  898   1HH2  ARG 113          1HH2      ARG 113 -33.794   7.867   0.240
  899   2HH2  ARG 113          2HH2      ARG 113 -34.721   7.217   1.552
  900    HA   PRO 114           HA       PRO 114 -27.121   1.514   5.111
  901   1HB   PRO 114          1HB       PRO 114 -29.042  -0.435   4.422
  902   2HB   PRO 114          2HB       PRO 114 -29.097   0.620   5.845
  903   1HG   PRO 114          1HG       PRO 114 -30.492   0.871   3.240
  904   2HG   PRO 114          2HG       PRO 114 -31.026   1.343   4.859
  905   1HD   PRO 114          1HD       PRO 114 -30.203   3.146   3.039
  906   2HD   PRO 114          2HD       PRO 114 -29.907   3.358   4.778
  907    H    ARG 115           H        ARG 115 -27.194  -1.165   4.330
  908    HA   ARG 115           HA       ARG 115 -25.661  -1.053   1.766
  909   1HB   ARG 115          1HB       ARG 115 -25.644  -3.000   4.094
  910   2HB   ARG 115          2HB       ARG 115 -24.544  -3.046   2.714
  911   1HG   ARG 115          1HG       ARG 115 -23.268  -1.838   4.227
  912   2HG   ARG 115          2HG       ARG 115 -24.099  -0.527   3.399
  913   1HD   ARG 115          1HD       ARG 115 -25.516  -0.101   5.206
  914   2HD   ARG 115          2HD       ARG 115 -25.397  -1.767   5.813
  915    HE   ARG 115           HE       ARG 115 -22.787  -0.681   5.894
  916   1HH1  ARG 115          1HH1      ARG 115 -25.900  -0.113   7.345
  917   2HH1  ARG 115          2HH1      ARG 115 -25.226   0.527   8.803
  918   1HH2  ARG 115          1HH2      ARG 115 -21.936   0.154   7.797
  919   2HH2  ARG 115          2HH2      ARG 115 -23.000   0.679   9.060
  920    H    LEU 116           H        LEU 116 -28.497  -1.227   1.565
  921    HA   LEU 116           HA       LEU 116 -30.205  -2.557   0.631
  922   1HB   LEU 116          1HB       LEU 116 -27.551  -3.354  -0.491
  923   2HB   LEU 116          2HB       LEU 116 -28.933  -4.366  -0.899
  924    HG   LEU 116           HG       LEU 116 -28.619  -2.574  -2.572
  925   1HD1  LEU 116          1HD1      LEU 116 -30.875  -2.149  -2.776
  926   2HD1  LEU 116          2HD1      LEU 116 -31.049  -1.694  -1.081
  927   3HD1  LEU 116          3HD1      LEU 116 -30.951  -3.396  -1.531
  928   1HD2  LEU 116          1HD2      LEU 116 -27.603  -0.964  -0.907
  929   2HD2  LEU 116          2HD2      LEU 116 -29.232  -0.667  -0.298
  930   3HD2  LEU 116          3HD2      LEU 116 -28.822  -0.248  -1.962
  931    H    THR 117           H        THR 117 -31.069  -3.616   2.491
  932    HA   THR 117           HA       THR 117 -29.805  -6.127   3.422
  933    HB   THR 117           HB       THR 117 -32.437  -4.965   4.335
  934    HG1  THR 117           HG1      THR 117 -31.366  -3.177   4.618
  935   1HG2  THR 117          1HG2      THR 117 -30.173  -6.071   5.993
  936   2HG2  THR 117          2HG2      THR 117 -31.328  -7.144   5.203
  937   3HG2  THR 117          3HG2      THR 117 -31.887  -5.974   6.399
  938    H    GLN 118           H        GLN 118 -30.440  -8.088   2.620
  939    HA   GLN 118           HA       GLN 118 -31.696  -9.695   1.429
  940   1HB   GLN 118          1HB       GLN 118 -33.451  -8.096   3.174
  941   2HB   GLN 118          2HB       GLN 118 -34.316  -8.899   1.863
  942   1HG   GLN 118          1HG       GLN 118 -33.449 -11.054   2.519
  943   2HG   GLN 118          2HG       GLN 118 -32.354 -10.316   3.688
  944   1HE2  GLN 118          1HE2      GLN 118 -33.435  -9.146   5.563
  945   2HE2  GLN 118          2HE2      GLN 118 -34.948  -9.699   6.097
  946    H    ASN 119           H        ASN 119 -30.794  -8.458  -0.554
  947    HA   ASN 119           HA       ASN 119 -32.636  -6.684  -1.976
  948   1HB   ASN 119          1HB       ASN 119 -30.105  -6.646  -2.039
  949   2HB   ASN 119          2HB       ASN 119 -30.160  -8.166  -2.933
  950   1HD2  ASN 119          1HD2      ASN 119 -30.873  -4.698  -3.136
  951   2HD2  ASN 119          2HD2      ASN 119 -31.120  -4.668  -4.815
  952   1H    GLY 201          1H        GLY 201 -24.225  35.039 -13.518
  953   2H    GLY 201          2H        GLY 201 -25.671  35.643 -14.174
  954   3H    GLY 201          3H        GLY 201 -24.365  35.272 -15.195
  955   1HA   GLY 201          1HA       GLY 201 -25.961  33.336 -13.607
  956   2HA   GLY 201          2HA       GLY 201 -26.012  33.543 -15.358
  957    H    LYS 202           H        LYS 202 -24.662  32.255 -16.523
  958    HA   LYS 202           HA       LYS 202 -22.965  30.677 -16.983
  959   1HB   LYS 202          1HB       LYS 202 -21.902  33.009 -15.987
  960   2HB   LYS 202          2HB       LYS 202 -21.216  31.817 -14.883
  961   1HG   LYS 202          1HG       LYS 202 -20.256  30.570 -16.710
  962   2HG   LYS 202          2HG       LYS 202 -21.120  31.544 -17.899
  963   1HD   LYS 202          1HD       LYS 202 -19.578  33.238 -16.122
  964   2HD   LYS 202          2HD       LYS 202 -18.543  32.026 -16.875
  965   1HE   LYS 202          1HE       LYS 202 -18.717  33.017 -18.919
  966   2HE   LYS 202          2HE       LYS 202 -20.470  33.230 -18.749
  967   1HZ   LYS 202          1HZ       LYS 202 -18.303  34.905 -17.600
  968   2HZ   LYS 202          2HZ       LYS 202 -19.908  34.988 -17.050
  969   3HZ   LYS 202          3HZ       LYS 202 -19.539  35.389 -18.659
  970    H    ALA 203           H        ALA 203 -21.388  29.080 -15.749
  971    HA   ALA 203           HA       ALA 203 -21.266  27.240 -14.272
  972   1HB   ALA 203          1HB       ALA 203 -20.898  28.066 -12.170
  973   2HB   ALA 203          2HB       ALA 203 -22.509  28.776 -12.076
  974   3HB   ALA 203          3HB       ALA 203 -21.213  29.638 -12.903
  975    HA   PRO 204           HA       PRO 204 -25.921  26.714 -14.860
  976   1HB   PRO 204          1HB       PRO 204 -24.957  24.218 -16.160
  977   2HB   PRO 204          2HB       PRO 204 -26.164  25.384 -16.728
  978   1HG   PRO 204          1HG       PRO 204 -23.711  25.203 -17.809
  979   2HG   PRO 204          2HG       PRO 204 -24.593  26.732 -17.700
  980   1HD   PRO 204          1HD       PRO 204 -22.288  25.758 -16.096
  981   2HD   PRO 204          2HD       PRO 204 -22.718  27.413 -16.578
  982    H    ARG 205           H        ARG 205 -25.901  26.351 -12.529
  983    HA   ARG 205           HA       ARG 205 -26.041  25.014 -10.586
  984   1HB   ARG 205          1HB       ARG 205 -26.901  23.414 -12.953
  985   2HB   ARG 205          2HB       ARG 205 -26.636  22.517 -11.458
  986   1HG   ARG 205          1HG       ARG 205 -28.964  23.240 -11.547
  987   2HG   ARG 205          2HG       ARG 205 -28.133  24.137 -10.277
  988   1HD   ARG 205          1HD       ARG 205 -28.389  26.129 -11.370
  989   2HD   ARG 205          2HD       ARG 205 -28.020  25.410 -12.948
  990    HE   ARG 205           HE       ARG 205 -30.519  24.370 -12.041
  991   1HH1  ARG 205          1HH1      ARG 205 -29.088  27.346 -13.142
  992   2HH1  ARG 205          2HH1      ARG 205 -30.574  27.951 -13.785
  993   1HH2  ARG 205          1HH2      ARG 205 -32.437  25.176 -12.884
  994   2HH2  ARG 205          2HH2      ARG 205 -32.457  26.734 -13.642
  995    H    LYS 206           H        LYS 206 -23.448  25.441 -10.971
  996    HA   LYS 206           HA       LYS 206 -22.163  22.732 -10.828
  997   1HB   LYS 206          1HB       LYS 206 -21.804  24.640 -12.755
  998   2HB   LYS 206          2HB       LYS 206 -20.548  25.099 -11.605
  999   1HG   LYS 206          1HG       LYS 206 -19.285  23.291 -12.115
 1000   2HG   LYS 206          2HG       LYS 206 -20.673  22.206 -12.038
 1001   1HD   LYS 206          1HD       LYS 206 -20.019  22.109 -14.305
 1002   2HD   LYS 206          2HD       LYS 206 -21.355  23.260 -14.309
 1003   1HE   LYS 206          1HE       LYS 206 -19.824  24.550 -15.465
 1004   2HE   LYS 206          2HE       LYS 206 -19.272  24.949 -13.827
 1005   1HZ   LYS 206          1HZ       LYS 206 -17.751  23.083 -13.910
 1006   2HZ   LYS 206          2HZ       LYS 206 -17.452  24.111 -15.229
 1007   3HZ   LYS 206          3HZ       LYS 206 -18.300  22.658 -15.461
 1008    H    GLN 207           H        GLN 207 -23.015  23.521  -8.445
 1009    HA   GLN 207           HA       GLN 207 -20.596  24.060  -6.933
 1010   1HB   GLN 207          1HB       GLN 207 -21.270  26.303  -7.908
 1011   2HB   GLN 207          2HB       GLN 207 -22.758  26.194  -6.968
 1012   1HG   GLN 207          1HG       GLN 207 -21.428  27.372  -5.478
 1013   2HG   GLN 207          2HG       GLN 207 -21.056  25.722  -4.979
 1014   1HE2  GLN 207          1HE2      GLN 207 -19.748  28.602  -6.496
 1015   2HE2  GLN 207          2HE2      GLN 207 -18.167  28.016  -6.693
 1016    H    LEU 208           H        LEU 208 -21.325  22.157  -5.809
 1017    HA   LEU 208           HA       LEU 208 -23.743  22.592  -4.084
 1018   1HB   LEU 208          1HB       LEU 208 -23.703  20.822  -6.008
 1019   2HB   LEU 208          2HB       LEU 208 -22.644  19.907  -4.933
 1020    HG   LEU 208           HG       LEU 208 -24.558  20.478  -3.163
 1021   1HD1  LEU 208          1HD1      LEU 208 -26.731  20.658  -4.105
 1022   2HD1  LEU 208          2HD1      LEU 208 -26.153  20.235  -5.717
 1023   3HD1  LEU 208          3HD1      LEU 208 -25.753  21.806  -5.021
 1024   1HD2  LEU 208          1HD2      LEU 208 -24.038  18.215  -3.529
 1025   2HD2  LEU 208          2HD2      LEU 208 -24.429  18.307  -5.247
 1026   3HD2  LEU 208          3HD2      LEU 208 -25.721  18.314  -4.047
 1027    H    ALA 209           H        ALA 209 -20.515  21.092  -4.312
 1028    HA   ALA 209           HA       ALA 209 -20.080  21.614  -1.437
 1029   1HB   ALA 209          1HB       ALA 209 -20.727  18.992  -2.657
 1030   2HB   ALA 209          2HB       ALA 209 -20.905  19.522  -0.984
 1031   3HB   ALA 209          3HB       ALA 209 -19.335  18.975  -1.574
 1032    H    THR 210           H        THR 210 -17.767  20.964  -0.845
 1033    HA   THR 210           HA       THR 210 -15.981  21.076  -3.255
 1034    HB   THR 210           HB       THR 210 -14.548  22.552  -1.759
 1035    HG1  THR 210           HG1      THR 210 -15.306  23.136   0.153
 1036   1HG2  THR 210          1HG2      THR 210 -17.367  23.396  -2.476
 1037   2HG2  THR 210          2HG2      THR 210 -15.904  23.618  -3.435
 1038   3HG2  THR 210          3HG2      THR 210 -16.127  24.531  -1.943
 1039    H    LYS 211           H        LYS 211 -16.233  20.192   0.195
 1040    HA   LYS 211           HA       LYS 211 -13.988  18.248  -0.229
 1041   1HB   LYS 211          1HB       LYS 211 -13.685  18.521   2.237
 1042   2HB   LYS 211          2HB       LYS 211 -13.564  20.062   1.390
 1043   1HG   LYS 211          1HG       LYS 211 -15.425  20.884   2.393
 1044   2HG   LYS 211          2HG       LYS 211 -16.311  19.375   2.172
 1045   1HD   LYS 211          1HD       LYS 211 -15.417  18.428   4.148
 1046   2HD   LYS 211          2HD       LYS 211 -14.112  19.612   4.226
 1047   1HE   LYS 211          1HE       LYS 211 -15.713  21.392   4.761
 1048   2HE   LYS 211          2HE       LYS 211 -17.064  20.255   4.587
 1049   1HZ   LYS 211          1HZ       LYS 211 -14.792  19.997   6.494
 1050   2HZ   LYS 211          2HZ       LYS 211 -16.049  18.870   6.307
 1051   3HZ   LYS 211          3HZ       LYS 211 -16.383  20.424   6.905
 1052    H    ALA 212           H        ALA 212 -14.221  16.224   1.114
 1053    HA   ALA 212           HA       ALA 212 -17.105  15.453   1.434
 1054   1HB   ALA 212          1HB       ALA 212 -16.695  13.711   0.025
 1055   2HB   ALA 212          2HB       ALA 212 -15.204  13.295   0.870
 1056   3HB   ALA 212          3HB       ALA 212 -15.190  14.534  -0.385
 1057    H    ALA 213           H        ALA 213 -16.845  13.048   2.657
 1058    HA   ALA 213           HA       ALA 213 -15.329  13.687   5.166
 1059   1HB   ALA 213          1HB       ALA 213 -17.289  11.791   5.744
 1060   2HB   ALA 213          2HB       ALA 213 -18.054  12.803   4.518
 1061   3HB   ALA 213          3HB       ALA 213 -17.442  13.529   6.004
 1062    H    ARG 214           H        ARG 214 -14.397  12.182   2.710
 1063    HA   ARG 214           HA       ARG 214 -13.278  10.169   2.189
 1064   1HB   ARG 214          1HB       ARG 214 -12.795  11.017   4.962
 1065   2HB   ARG 214          2HB       ARG 214 -12.461   9.305   4.699
 1066   1HG   ARG 214          1HG       ARG 214 -10.433  10.510   4.209
 1067   2HG   ARG 214          2HG       ARG 214 -11.107   9.985   2.668
 1068   1HD   ARG 214          1HD       ARG 214 -10.421  12.335   2.490
 1069   2HD   ARG 214          2HD       ARG 214 -12.193  12.256   2.454
 1070    HE   ARG 214           HE       ARG 214 -11.252  12.446   5.174
 1071   1HH1  ARG 214          1HH1      ARG 214 -11.711  14.309   2.269
 1072   2HH1  ARG 214          2HH1      ARG 214 -11.906  15.800   3.125
 1073   1HH2  ARG 214          1HH2      ARG 214 -11.508  14.393   6.262
 1074   2HH2  ARG 214          2HH2      ARG 214 -11.792  15.850   5.368
 1075   1HN   MLZ 215          1HN       MLZ 215 -13.009   7.786   3.604
 1076    HA   MLZ 215           HA       MLZ 215 -15.665   6.596   3.244
 1077   1HB   MLZ 215          1HB       MLZ 215 -12.835   5.768   3.685
 1078   2HB   MLZ 215          2HB       MLZ 215 -14.069   4.625   4.215
 1079   1HG   MLZ 215          1HG       MLZ 215 -14.233   5.887   1.485
 1080   2HG   MLZ 215          2HG       MLZ 215 -14.945   4.374   2.049
 1081   1HD   MLZ 215          1HD       MLZ 215 -11.993   4.917   1.604
 1082   2HD   MLZ 215          2HD       MLZ 215 -12.648   3.426   2.279
 1083   1HE   MLZ 215          1HE       MLZ 215 -13.825   4.344  -0.305
 1084   2HE   MLZ 215          2HE       MLZ 215 -13.436   2.701   0.241
 1085    HZ   MLZ 215           HZ       MLZ 215 -11.163   3.042  -0.144
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -11.140   3.147  -2.383
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -12.016   4.674  -2.396
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -12.885   3.162  -2.159
 1089    H    SER 216           H        SER 216 -17.127   6.319   4.879
 1090    HA   SER 216           HA       SER 216 -18.010   6.084   7.055
 1091   1HB   SER 216          1HB       SER 216 -16.844   8.457   6.817
 1092   2HB   SER 216          2HB       SER 216 -17.425   7.914   8.391
 1093    HG   SER 216           HG       SER 216 -15.126   8.732   8.086
 1094    H    ALA 217           H        ALA 217 -16.948   5.849   9.535
 1095    HA   ALA 217           HA       ALA 217 -15.007   3.574   9.275
 1096   1HB   ALA 217          1HB       ALA 217 -14.606   6.066  10.430
 1097   2HB   ALA 217          2HB       ALA 217 -13.668   4.619  10.801
 1098   3HB   ALA 217          3HB       ALA 217 -15.041   5.064  11.815
 1099    HA   PRO 218           HA       PRO 218 -18.150   1.324  11.409
 1100   1HB   PRO 218          1HB       PRO 218 -16.615  -0.738  12.383
 1101   2HB   PRO 218          2HB       PRO 218 -17.086  -0.599  10.682
 1102   1HG   PRO 218          1HG       PRO 218 -14.512   0.114  11.971
 1103   2HG   PRO 218          2HG       PRO 218 -14.813  -0.685  10.426
 1104   1HD   PRO 218          1HD       PRO 218 -14.184   1.934  10.656
 1105   2HD   PRO 218          2HD       PRO 218 -15.179   1.295   9.347
 1106    H    ALA 219           H        ALA 219 -17.849  -0.120  13.774
 1107    HA   ALA 219           HA       ALA 219 -17.076   2.020  15.729
 1108   1HB   ALA 219          1HB       ALA 219 -19.008  -0.171  16.382
 1109   2HB   ALA 219          2HB       ALA 219 -19.540   1.060  15.237
 1110   3HB   ALA 219          3HB       ALA 219 -19.040   1.525  16.863
 1111    H    THR 220           H        THR 220 -15.069   1.367  16.489
 1112    HA   THR 220           HA       THR 220 -14.939  -1.204  17.939
 1113    HB   THR 220           HB       THR 220 -14.341  -1.748  15.605
 1114    HG1  THR 220           HG1      THR 220 -12.836  -2.965  16.377
 1115   1HG2  THR 220          1HG2      THR 220 -13.382  -0.110  14.386
 1116   2HG2  THR 220          2HG2      THR 220 -11.878  -0.457  15.239
 1117   3HG2  THR 220          3HG2      THR 220 -12.961   0.800  15.837
 1118    H    GLY 221           H        GLY 221 -12.076  -1.165  18.184
 1119   1HA   GLY 221          1HA       GLY 221 -11.766   0.770  20.285
 1120   2HA   GLY 221          2HA       GLY 221 -10.466  -0.205  19.599
 1121   1H    MET   1          1H        MET   1  -1.203  -9.331   4.853
 1122   2H    MET   1          2H        MET   1  -0.639 -10.489   5.959
 1123   3H    MET   1          3H        MET   1  -0.719 -10.863   4.305
 1124    HA   MET   1           HA       MET   1   1.032  -9.337   3.783
 1125   1HB   MET   1          1HB       MET   1  -0.058  -8.021   5.930
 1126   2HB   MET   1          2HB       MET   1   1.442  -8.627   6.632
 1127   1HG   MET   1          1HG       MET   1   1.984  -6.495   5.698
 1128   2HG   MET   1          2HG       MET   1   2.623  -7.687   4.567
 1129   1HE   MET   1          1HE       MET   1   2.767  -5.364   3.469
 1130   2HE   MET   1          2HE       MET   1   1.466  -4.325   4.051
 1131   3HE   MET   1          3HE       MET   1   1.550  -4.760   2.344
 1132    H    PHE   2           H        PHE   2   0.572 -12.129   5.028
 1133    HA   PHE   2           HA       PHE   2   3.437 -12.699   5.481
 1134   1HB   PHE   2          1HB       PHE   2   2.731 -13.993   7.601
 1135   2HB   PHE   2          2HB       PHE   2   2.760 -12.236   7.726
 1136    HD1  PHE   2           HD1      PHE   2   0.657 -10.932   7.677
 1137    HD2  PHE   2           HD2      PHE   2   0.647 -15.228   7.683
 1138    HE1  PHE   2           HE1      PHE   2  -1.742 -10.924   8.297
 1139    HE2  PHE   2           HE2      PHE   2  -1.755 -15.219   8.303
 1140    HZ   PHE   2           HZ       PHE   2  -2.948 -13.065   8.610
 1141    H    ASN   3           H        ASN   3   2.754 -13.688   3.298
 1142    HA   ASN   3           HA       ASN   3   2.079 -16.519   3.766
 1143   1HB   ASN   3          1HB       ASN   3   0.258 -14.471   2.615
 1144   2HB   ASN   3          2HB       ASN   3   0.321 -16.006   1.749
 1145   1HD2  ASN   3          1HD2      ASN   3  -0.534 -17.896   2.811
 1146   2HD2  ASN   3          2HD2      ASN   3  -1.367 -17.812   4.287
 1147    H    ASP   4           H        ASP   4   1.677 -14.702   0.756
 1148    HA   ASP   4           HA       ASP   4   2.876 -16.372  -1.026
 1149   1HB   ASP   4          1HB       ASP   4   1.772 -14.041  -1.254
 1150   2HB   ASP   4          2HB       ASP   4   3.405 -13.396  -1.086
 1151    H    ARG   5           H        ARG   5   4.695 -17.449   0.033
 1152    HA   ARG   5           HA       ARG   5   6.983 -17.757   0.551
 1153   1HB   ARG   5          1HB       ARG   5   6.929 -15.910  -1.860
 1154   2HB   ARG   5          2HB       ARG   5   8.345 -16.832  -1.361
 1155   1HG   ARG   5          1HG       ARG   5   6.497 -18.811  -1.396
 1156   2HG   ARG   5          2HG       ARG   5   5.837 -17.759  -2.649
 1157   1HD   ARG   5          1HD       ARG   5   7.734 -17.984  -4.015
 1158   2HD   ARG   5          2HD       ARG   5   8.776 -18.440  -2.654
 1159    HE   ARG   5           HE       ARG   5   6.610 -20.327  -2.962
 1160   1HH1  ARG   5          1HH1      ARG   5   9.664 -19.355  -4.321
 1161   2HH1  ARG   5          2HH1      ARG   5  10.008 -20.928  -4.951
 1162   1HH2  ARG   5          1HH2      ARG   5   7.079 -22.358  -3.788
 1163   2HH2  ARG   5          2HH2      ARG   5   8.557 -22.618  -4.652
 1164    H    VAL   6           H        VAL   6   5.695 -15.107   1.748
 1165    HA   VAL   6           HA       VAL   6   8.272 -14.034   2.694
 1166    HB   VAL   6           HB       VAL   6   6.335 -12.526   0.899
 1167   1HG1  VAL   6          1HG1      VAL   6   7.679 -10.494   1.366
 1168   2HG1  VAL   6          2HG1      VAL   6   8.584 -11.385   2.590
 1169   3HG1  VAL   6          3HG1      VAL   6   6.862 -11.075   2.817
 1170   1HG2  VAL   6          1HG2      VAL   6   9.282 -13.187   0.790
 1171   2HG2  VAL   6          2HG2      VAL   6   8.549 -11.961  -0.245
 1172   3HG2  VAL   6          3HG2      VAL   6   8.026 -13.642  -0.362
 1173    H    ILE   7           H        ILE   7   7.998 -12.602   4.513
 1174    HA   ILE   7           HA       ILE   7   5.240 -12.194   5.528
 1175    HB   ILE   7           HB       ILE   7   6.035 -14.335   6.450
 1176   1HG1  ILE   7          1HG1      ILE   7   6.275 -12.223   8.602
 1177   2HG1  ILE   7          2HG1      ILE   7   4.734 -12.646   7.856
 1178   1HG2  ILE   7          1HG2      ILE   7   8.515 -13.387   6.240
 1179   2HG2  ILE   7          2HG2      ILE   7   8.110 -14.634   7.420
 1180   3HG2  ILE   7          3HG2      ILE   7   8.233 -12.949   7.925
 1181   1HD1  ILE   7          1HD1      ILE   7   5.910 -13.940  10.026
 1182   2HD1  ILE   7          2HD1      ILE   7   6.244 -15.009   8.664
 1183   3HD1  ILE   7          3HD1      ILE   7   4.582 -14.560   9.045
 1184    H    VAL   8           H        VAL   8   5.059 -10.285   6.731
 1185    HA   VAL   8           HA       VAL   8   7.367  -8.460   6.563
 1186    HB   VAL   8           HB       VAL   8   5.061  -7.828   5.892
 1187   1HG1  VAL   8          1HG1      VAL   8   4.355  -9.210   8.219
 1188   2HG1  VAL   8          2HG1      VAL   8   3.269  -8.280   7.187
 1189   3HG1  VAL   8          3HG1      VAL   8   4.015  -7.521   8.593
 1190   1HG2  VAL   8          1HG2      VAL   8   6.269  -6.400   8.271
 1191   2HG2  VAL   8          2HG2      VAL   8   4.887  -5.755   7.384
 1192   3HG2  VAL   8          3HG2      VAL   8   6.431  -5.988   6.564
 1193    H    LYS   9           H        LYS   9   8.584  -7.799   8.283
 1194    HA   LYS   9           HA       LYS   9   7.624  -8.350  11.042
 1195   1HB   LYS   9          1HB       LYS   9  10.164  -9.290   9.705
 1196   2HB   LYS   9          2HB       LYS   9   9.988  -9.254  11.460
 1197   1HG   LYS   9          1HG       LYS   9   7.738 -10.526  10.976
 1198   2HG   LYS   9          2HG       LYS   9   8.507 -10.919   9.441
 1199   1HD   LYS   9          1HD       LYS   9  10.125 -12.239  10.440
 1200   2HD   LYS   9          2HD       LYS   9  10.082 -11.333  11.949
 1201   1HE   LYS   9          1HE       LYS   9   8.096 -12.420  12.674
 1202   2HE   LYS   9          2HE       LYS   9   7.733 -13.013  11.042
 1203   1HZ   LYS   9          1HZ       LYS   9   8.736 -14.801  12.223
 1204   2HZ   LYS   9          2HZ       LYS   9   9.990 -13.814  12.804
 1205   3HZ   LYS   9          3HZ       LYS   9   9.915 -14.210  11.154
 1206    H    LYS  10           H        LYS  10   9.402  -5.350  11.991
 1207    HA   LYS  10           HA       LYS  10   8.336  -6.220  13.870
 1208   1HB   LYS  10          1HB       LYS  10   6.654  -6.503  11.568
 1209   2HB   LYS  10          2HB       LYS  10   6.393  -7.895  12.619
 1210   1HG   LYS  10          1HG       LYS  10   6.411  -5.043  13.635
 1211   2HG   LYS  10          2HG       LYS  10   4.939  -5.872  13.129
 1212   1HD   LYS  10          1HD       LYS  10   6.840  -6.813  15.299
 1213   2HD   LYS  10          2HD       LYS  10   5.260  -6.077  15.566
 1214   1HE   LYS  10          1HE       LYS  10   4.432  -8.024  13.963
 1215   2HE   LYS  10          2HE       LYS  10   5.923  -8.810  14.515
 1216   1HZ   LYS  10          1HZ       LYS  10   4.068  -7.469  16.397
 1217   2HZ   LYS  10          2HZ       LYS  10   5.282  -8.604  16.746
 1218   3HZ   LYS  10          3HZ       LYS  10   3.858  -9.098  15.963
 1219    H    SER  11           H        SER  11  10.600  -7.496  13.554
 1220    HA   SER  11           HA       SER  11  10.010 -10.433  13.660
 1221   1HB   SER  11          1HB       SER  11  12.681 -10.293  13.380
 1222   2HB   SER  11          2HB       SER  11  11.613 -10.158  11.987
 1223    HG   SER  11           HG       SER  11  11.980  -8.063  11.871
 1224    HA   PRO  12           HA       PRO  12  11.429 -10.610  17.809
 1225   1HB   PRO  12          1HB       PRO  12  13.584 -12.542  17.371
 1226   2HB   PRO  12          2HB       PRO  12  12.001 -12.805  18.120
 1227   1HG   PRO  12          1HG       PRO  12  12.737 -13.817  15.695
 1228   2HG   PRO  12          2HG       PRO  12  11.065 -13.506  16.176
 1229   1HD   PRO  12          1HD       PRO  12  12.843 -11.937  14.380
 1230   2HD   PRO  12          2HD       PRO  12  11.085 -12.187  14.301
 1231    H    LEU  13           H        LEU  13  13.905 -10.121  15.392
 1232    HA   LEU  13           HA       LEU  13  15.364  -8.354  17.293
 1233   1HB   LEU  13          1HB       LEU  13  16.146 -10.983  16.554
 1234   2HB   LEU  13          2HB       LEU  13  17.213  -9.888  15.674
 1235    HG   LEU  13           HG       LEU  13  16.690  -9.273  18.547
 1236   1HD1  LEU  13          1HD1      LEU  13  18.963 -10.957  18.482
 1237   2HD1  LEU  13          2HD1      LEU  13  17.676 -11.835  17.655
 1238   3HD1  LEU  13          3HD1      LEU  13  17.433 -11.259  19.304
 1239   1HD2  LEU  13          1HD2      LEU  13  18.121  -7.879  17.024
 1240   2HD2  LEU  13          2HD2      LEU  13  19.212  -9.255  16.863
 1241   3HD2  LEU  13          3HD2      LEU  13  18.987  -8.488  18.435
 1242    H    GLY  14           H        GLY  14  13.647  -8.065  14.805
 1243   1HA   GLY  14          1HA       GLY  14  15.648  -6.519  13.206
 1244   2HA   GLY  14          2HA       GLY  14  14.452  -7.534  12.400
 1245    H    GLY  15           H        GLY  15  14.468  -4.872  11.763
 1246   1HA   GLY  15          1HA       GLY  15  12.426  -3.519  13.426
 1247   2HA   GLY  15          2HA       GLY  15  13.302  -2.795  12.078
 1248    H    TYR  16           H        TYR  16  11.448  -2.106  10.927
 1249    HA   TYR  16           HA       TYR  16   9.397  -4.139  10.229
 1250   1HB   TYR  16          1HB       TYR  16   9.532  -1.312  10.671
 1251   2HB   TYR  16          2HB       TYR  16   8.975  -1.575   9.019
 1252    HD1  TYR  16           HD1      TYR  16   7.465  -4.037   9.136
 1253    HD2  TYR  16           HD2      TYR  16   7.663  -0.846  12.005
 1254    HE1  TYR  16           HE1      TYR  16   5.222  -4.663   9.987
 1255    HE2  TYR  16           HE2      TYR  16   5.419  -1.472  12.856
 1256    HH   TYR  16           HH       TYR  16   3.455  -2.649  12.165
 1257    H    GLY  17           H        GLY  17  11.310  -5.192   8.946
 1258   1HA   GLY  17          1HA       GLY  17  11.414  -3.990   6.207
 1259   2HA   GLY  17          2HA       GLY  17  12.704  -4.991   6.877
 1260    H    VAL  18           H        VAL  18  12.289  -6.340   4.882
 1261    HA   VAL  18           HA       VAL  18   9.781  -7.948   5.030
 1262    HB   VAL  18           HB       VAL  18  12.011  -7.732   2.973
 1263   1HG1  VAL  18          1HG1      VAL  18  10.723  -9.117   1.554
 1264   2HG1  VAL  18          2HG1      VAL  18   9.280  -8.941   2.552
 1265   3HG1  VAL  18          3HG1      VAL  18  10.632  -9.918   3.123
 1266   1HG2  VAL  18          1HG2      VAL  18  10.675  -5.675   3.208
 1267   2HG2  VAL  18          2HG2      VAL  18   9.195  -6.612   3.007
 1268   3HG2  VAL  18          3HG2      VAL  18  10.337  -6.470   1.671
 1269    H    PHE  19           H        PHE  19   9.846 -10.110   5.627
 1270    HA   PHE  19           HA       PHE  19  12.509 -11.204   6.424
 1271   1HB   PHE  19          1HB       PHE  19   9.923 -11.125   7.584
 1272   2HB   PHE  19          2HB       PHE  19  10.210 -12.807   7.138
 1273    HD1  PHE  19           HD1      PHE  19  11.429 -14.169   8.585
 1274    HD2  PHE  19           HD2      PHE  19  11.970  -9.911   8.745
 1275    HE1  PHE  19           HE1      PHE  19  12.944 -14.436  10.529
 1276    HE2  PHE  19           HE2      PHE  19  13.486 -10.178  10.690
 1277    HZ   PHE  19           HZ       PHE  19  13.973 -12.440  11.583
 1278    H    ALA  20           H        ALA  20  13.396 -12.770   5.161
 1279    HA   ALA  20           HA       ALA  20  11.877 -13.799   2.859
 1280   1HB   ALA  20          1HB       ALA  20  13.972 -13.840   1.982
 1281   2HB   ALA  20          2HB       ALA  20  14.565 -14.853   3.299
 1282   3HB   ALA  20          3HB       ALA  20  14.524 -13.099   3.484
 1283    H    ARG  21           H        ARG  21  10.432 -15.379   3.643
 1284    HA   ARG  21           HA       ARG  21  11.263 -17.489   5.489
 1285   1HB   ARG  21          1HB       ARG  21   8.901 -16.383   4.712
 1286   2HB   ARG  21          2HB       ARG  21   8.921 -17.809   3.674
 1287   1HG   ARG  21          1HG       ARG  21   9.020 -19.290   5.522
 1288   2HG   ARG  21          2HG       ARG  21   9.503 -18.007   6.630
 1289   1HD   ARG  21          1HD       ARG  21   7.126 -17.004   5.776
 1290   2HD   ARG  21          2HD       ARG  21   6.791 -18.743   5.665
 1291    HE   ARG  21           HE       ARG  21   8.170 -18.203   8.119
 1292   1HH1  ARG  21          1HH1      ARG  21   5.090 -17.725   6.569
 1293   2HH1  ARG  21          2HH1      ARG  21   4.217 -17.708   8.062
 1294   1HH2  ARG  21          1HH2      ARG  21   7.014 -18.177  10.046
 1295   2HH2  ARG  21          2HH2      ARG  21   5.295 -17.962  10.016
 1296    H    LYS  22           H        LYS  22  11.452 -16.912   2.075
 1297    HA   LYS  22           HA       LYS  22  11.900 -19.782   1.437
 1298   1HB   LYS  22          1HB       LYS  22  10.997 -17.342   0.130
 1299   2HB   LYS  22          2HB       LYS  22  12.288 -18.095  -0.799
 1300   1HG   LYS  22          1HG       LYS  22  10.505 -19.289  -1.648
 1301   2HG   LYS  22          2HG       LYS  22  10.855 -20.298  -0.244
 1302   1HD   LYS  22          1HD       LYS  22   9.002 -17.955   0.055
 1303   2HD   LYS  22          2HD       LYS  22   8.396 -19.449  -0.659
 1304   1HE   LYS  22          1HE       LYS  22   9.980 -19.669   1.871
 1305   2HE   LYS  22          2HE       LYS  22   8.316 -19.066   1.983
 1306   1HZ   LYS  22          1HZ       LYS  22   8.399 -21.502   2.068
 1307   2HZ   LYS  22          2HZ       LYS  22   9.168 -21.536   0.554
 1308   3HZ   LYS  22          3HZ       LYS  22   7.575 -20.962   0.685
 1309    H    SER  23           H        SER  23  15.379 -19.179   0.313
 1310    HA   SER  23           HA       SER  23  12.782 -20.519  -0.299
 1311   1HB   SER  23          1HB       SER  23  14.873 -21.786   0.359
 1312   2HB   SER  23          2HB       SER  23  14.236 -22.248  -1.219
 1313    HG   SER  23           HG       SER  23  16.630 -21.579  -0.811
 1314    H    PHE  24           H        PHE  24  15.234 -18.396  -1.617
 1315    HA   PHE  24           HA       PHE  24  13.691 -18.296  -4.188
 1316   1HB   PHE  24          1HB       PHE  24  15.233 -16.227  -2.585
 1317   2HB   PHE  24          2HB       PHE  24  14.585 -15.914  -4.195
 1318    HD1  PHE  24           HD1      PHE  24  12.013 -17.222  -4.228
 1319    HD2  PHE  24           HD2      PHE  24  13.918 -15.088  -1.024
 1320    HE1  PHE  24           HE1      PHE  24   9.794 -16.721  -3.241
 1321    HE2  PHE  24           HE2      PHE  24  11.700 -14.588  -0.037
 1322    HZ   PHE  24           HZ       PHE  24   9.639 -15.404  -1.147
 1323    H    GLU  25           H        GLU  25  14.973 -17.766  -6.113
 1324    HA   GLU  25           HA       GLU  25  17.713 -18.945  -5.993
 1325   1HB   GLU  25          1HB       GLU  25  15.598 -19.551  -7.538
 1326   2HB   GLU  25          2HB       GLU  25  16.268 -18.254  -8.526
 1327   1HG   GLU  25          1HG       GLU  25  18.461 -19.854  -7.733
 1328   2HG   GLU  25          2HG       GLU  25  17.195 -20.970  -8.243
 1329    H    LYS  26           H        LYS  26  18.631 -17.758  -8.420
 1330    HA   LYS  26           HA       LYS  26  19.199 -15.000  -7.453
 1331   1HB   LYS  26          1HB       LYS  26  20.939 -16.790  -8.114
 1332   2HB   LYS  26          2HB       LYS  26  20.435 -16.499  -9.778
 1333   1HG   LYS  26          1HG       LYS  26  20.962 -14.087  -9.496
 1334   2HG   LYS  26          2HG       LYS  26  21.522 -14.418  -7.857
 1335   1HD   LYS  26          1HD       LYS  26  23.273 -15.883  -8.699
 1336   2HD   LYS  26          2HD       LYS  26  22.665 -15.718 -10.346
 1337   1HE   LYS  26          1HE       LYS  26  23.081 -13.084  -9.281
 1338   2HE   LYS  26          2HE       LYS  26  24.553 -14.041  -9.021
 1339   1HZ   LYS  26          1HZ       LYS  26  23.034 -13.808 -11.571
 1340   2HZ   LYS  26          2HZ       LYS  26  24.396 -14.794 -11.334
 1341   3HZ   LYS  26          3HZ       LYS  26  24.545 -13.104 -11.249
 1342    H    GLY  27           H        GLY  27  17.129 -14.077  -8.141
 1343   1HA   GLY  27          1HA       GLY  27  16.404 -12.499  -9.888
 1344   2HA   GLY  27          2HA       GLY  27  17.021 -13.630 -11.093
 1345    H    GLU  28           H        GLU  28  14.501 -13.238  -8.610
 1346    HA   GLU  28           HA       GLU  28  12.608 -14.722 -10.336
 1347   1HB   GLU  28          1HB       GLU  28  14.102 -15.883  -8.172
 1348   2HB   GLU  28          2HB       GLU  28  12.405 -15.817  -7.696
 1349   1HG   GLU  28          1HG       GLU  28  11.876 -16.822  -9.992
 1350   2HG   GLU  28          2HG       GLU  28  13.604 -17.147 -10.134
 1351    H    LEU  29           H        LEU  29  10.515 -13.953 -10.012
 1352    HA   LEU  29           HA       LEU  29   9.981 -11.575  -8.582
 1353   1HB   LEU  29          1HB       LEU  29   8.653 -13.409 -10.243
 1354   2HB   LEU  29          2HB       LEU  29   7.714 -13.424  -8.757
 1355    HG   LEU  29           HG       LEU  29   8.318 -11.064 -10.547
 1356   1HD1  LEU  29          1HD1      LEU  29   5.620 -11.507  -9.488
 1357   2HD1  LEU  29          2HD1      LEU  29   6.222 -12.847 -10.465
 1358   3HD1  LEU  29          3HD1      LEU  29   6.145 -11.223 -11.148
 1359   1HD2  LEU  29          1HD2      LEU  29   7.319 -11.090  -7.690
 1360   2HD2  LEU  29          2HD2      LEU  29   7.010  -9.745  -8.789
 1361   3HD2  LEU  29          3HD2      LEU  29   8.666 -10.166  -8.355
 1362    H    VAL  30           H        VAL  30   8.865 -11.253  -6.525
 1363    HA   VAL  30           HA       VAL  30   8.825 -13.638  -4.713
 1364    HB   VAL  30           HB       VAL  30  10.112 -10.921  -4.243
 1365   1HG1  VAL  30          1HG1      VAL  30  10.653 -11.687  -2.022
 1366   2HG1  VAL  30          2HG1      VAL  30  10.006 -13.292  -2.361
 1367   3HG1  VAL  30          3HG1      VAL  30   8.917 -11.910  -2.241
 1368   1HG2  VAL  30          1HG2      VAL  30  11.921 -12.980  -3.715
 1369   2HG2  VAL  30          2HG2      VAL  30  11.903 -11.952  -5.148
 1370   3HG2  VAL  30          3HG2      VAL  30  11.076 -13.510  -5.169
 1371    H    GLU  31           H        GLU  31   8.040 -10.158  -4.964
 1372    HA   GLU  31           HA       GLU  31   5.271 -10.671  -4.142
 1373   1HB   GLU  31          1HB       GLU  31   6.629 -10.703  -2.028
 1374   2HB   GLU  31          2HB       GLU  31   7.167  -9.063  -2.389
 1375   1HG   GLU  31          1HG       GLU  31   5.351  -8.521  -1.092
 1376   2HG   GLU  31          2HG       GLU  31   4.505  -8.706  -2.628
 1377    H    GLU  32           H        GLU  32   4.235  -9.335  -5.573
 1378    HA   GLU  32           HA       GLU  32   5.384  -6.599  -5.998
 1379   1HB   GLU  32          1HB       GLU  32   4.717  -6.837  -8.324
 1380   2HB   GLU  32          2HB       GLU  32   5.637  -8.267  -7.877
 1381   1HG   GLU  32          1HG       GLU  32   3.437  -9.419  -7.387
 1382   2HG   GLU  32          2HG       GLU  32   2.624  -8.026  -8.099
 1383    H    CYS  33           H        CYS  33   3.859  -4.887  -6.006
 1384    HA   CYS  33           HA       CYS  33   0.990  -5.628  -5.585
 1385   1HB   CYS  33          1HB       CYS  33   2.700  -3.756  -3.907
 1386   2HB   CYS  33          2HB       CYS  33   0.986  -4.070  -3.649
 1387    HG   CYS  33           HG       CYS  33   3.179  -6.282  -3.322
 1388    H    LEU  34           H        LEU  34   0.100  -3.023  -5.030
 1389    HA   LEU  34           HA       LEU  34   0.355  -1.771  -7.708
 1390   1HB   LEU  34          1HB       LEU  34  -1.564  -1.926  -5.458
 1391   2HB   LEU  34          2HB       LEU  34  -1.501  -0.354  -6.252
 1392    HG   LEU  34           HG       LEU  34  -3.182  -1.900  -7.275
 1393   1HD1  LEU  34          1HD1      LEU  34  -1.732  -1.790  -9.631
 1394   2HD1  LEU  34          2HD1      LEU  34  -0.980  -0.536  -8.644
 1395   3HD1  LEU  34          3HD1      LEU  34  -2.712  -0.480  -8.970
 1396   1HD2  LEU  34          1HD2      LEU  34  -2.599  -3.930  -8.254
 1397   2HD2  LEU  34          2HD2      LEU  34  -1.524  -3.908  -6.856
 1398   3HD2  LEU  34          3HD2      LEU  34  -0.908  -3.468  -8.449
 1399    H    CYS  35           H        CYS  35   0.160   0.802  -7.491
 1400    HA   CYS  35           HA       CYS  35   1.770   1.879  -5.248
 1401   1HB   CYS  35          1HB       CYS  35   2.651   1.513  -8.090
 1402   2HB   CYS  35          2HB       CYS  35   3.170   2.976  -7.254
 1403    HG   CYS  35           HG       CYS  35   4.642   0.559  -6.913
 1404    H    ILE  36           H        ILE  36   1.734   4.266  -5.243
 1405    HA   ILE  36           HA       ILE  36  -0.653   5.340  -6.699
 1406    HB   ILE  36           HB       ILE  36   0.851   6.444  -4.299
 1407   1HG1  ILE  36          1HG1      ILE  36  -1.693   4.793  -4.311
 1408   2HG1  ILE  36          2HG1      ILE  36  -0.103   4.158  -3.883
 1409   1HG2  ILE  36          1HG2      ILE  36  -1.581   7.426  -4.005
 1410   2HG2  ILE  36          2HG2      ILE  36  -1.688   7.128  -5.740
 1411   3HG2  ILE  36          3HG2      ILE  36  -0.441   8.201  -5.105
 1412   1HD1  ILE  36          1HD1      ILE  36  -1.797   5.167  -2.045
 1413   2HD1  ILE  36          2HD1      ILE  36  -0.957   6.649  -2.499
 1414   3HD1  ILE  36          3HD1      ILE  36  -0.045   5.274  -1.878
 1415    H    VAL  37           H        VAL  37   0.110   6.243  -8.614
 1416    HA   VAL  37           HA       VAL  37   2.718   7.620  -8.672
 1417    HB   VAL  37           HB       VAL  37   0.535   7.081 -10.719
 1418   1HG1  VAL  37          1HG1      VAL  37   2.625   8.971 -10.841
 1419   2HG1  VAL  37          2HG1      VAL  37   1.637   8.393 -12.183
 1420   3HG1  VAL  37          3HG1      VAL  37   3.167   7.599 -11.809
 1421   1HG2  VAL  37          1HG2      VAL  37   2.528   5.569 -11.552
 1422   2HG2  VAL  37          2HG2      VAL  37   1.485   5.004 -10.246
 1423   3HG2  VAL  37          3HG2      VAL  37   3.064   5.698  -9.877
 1424    H    ARG  38           H        ARG  38   2.880   9.765  -8.201
 1425    HA   ARG  38           HA       ARG  38   0.609  11.568  -8.921
 1426   1HB   ARG  38          1HB       ARG  38   0.569  10.795  -6.502
 1427   2HB   ARG  38          2HB       ARG  38   2.122  11.603  -6.288
 1428   1HG   ARG  38          1HG       ARG  38   0.500  13.198  -5.591
 1429   2HG   ARG  38          2HG       ARG  38   0.969  13.706  -7.213
 1430   1HD   ARG  38          1HD       ARG  38  -1.045  12.935  -8.169
 1431   2HD   ARG  38          2HD       ARG  38  -1.379  11.846  -6.809
 1432    HE   ARG  38           HE       ARG  38  -1.270  14.367  -5.646
 1433   1HH1  ARG  38          1HH1      ARG  38  -3.061  12.925  -8.260
 1434   2HH1  ARG  38          2HH1      ARG  38  -4.433  13.952  -8.032
 1435   1HH2  ARG  38          1HH2      ARG  38  -3.064  15.689  -5.371
 1436   2HH2  ARG  38          2HH2      ARG  38  -4.437  15.505  -6.410
 1437    H    HIS  39           H        HIS  39   1.288  13.705  -9.439
 1438    HA   HIS  39           HA       HIS  39   3.908  14.028 -10.531
 1439   1HB   HIS  39          1HB       HIS  39   1.530  15.738  -9.878
 1440   2HB   HIS  39          2HB       HIS  39   3.032  16.545 -10.328
 1441    HD1  HIS  39           HD1      HIS  39   0.978  16.986 -12.364
 1442    HD2  HIS  39           HD2      HIS  39   3.214  13.466 -12.359
 1443    HE1  HIS  39           HE1      HIS  39   0.829  16.038 -14.708
 1444    H    ASN  40           H        ASN  40   5.021  16.335  -9.738
 1445    HA   ASN  40           HA       ASN  40   5.925  15.744  -6.968
 1446   1HB   ASN  40          1HB       ASN  40   7.359  16.096  -9.131
 1447   2HB   ASN  40          2HB       ASN  40   7.046  17.811  -8.863
 1448   1HD2  ASN  40          1HD2      ASN  40   8.624  14.940  -7.481
 1449   2HD2  ASN  40          2HD2      ASN  40   9.560  15.789  -6.348
 1450    H    ASP  41           H        ASP  41   4.840  16.840  -5.391
 1451    HA   ASP  41           HA       ASP  41   4.732  19.720  -5.308
 1452   1HB   ASP  41          1HB       ASP  41   2.923  18.739  -7.036
 1453   2HB   ASP  41          2HB       ASP  41   1.992  18.527  -5.554
 1454    H    ASP  42           H        ASP  42   2.033  19.458  -3.783
 1455    HA   ASP  42           HA       ASP  42   2.944  19.181  -1.148
 1456   1HB   ASP  42          1HB       ASP  42   0.538  18.771  -0.658
 1457   2HB   ASP  42          2HB       ASP  42   0.731  20.036  -1.872
 1458    H    TRP  43           H        TRP  43   2.192  16.715  -3.503
 1459    HA   TRP  43           HA       TRP  43   2.046  14.454  -1.696
 1460   1HB   TRP  43          1HB       TRP  43   1.068  14.267  -3.861
 1461   2HB   TRP  43          2HB       TRP  43   2.482  14.956  -4.652
 1462    HD1  TRP  43           HD1      TRP  43   4.399  13.363  -5.351
 1463    HE1  TRP  43           HE1      TRP  43   4.694  10.803  -5.319
 1464    HE3  TRP  43           HE3      TRP  43   0.423  12.051  -2.425
 1465    HZ2  TRP  43           HZ2      TRP  43   3.413   8.504  -4.203
 1466    HZ3  TRP  43           HZ3      TRP  43  -0.015   9.671  -1.895
 1467    HH2  TRP  43           HH2      TRP  43   1.474   7.897  -2.778
 1468    H    GLY  44           H        GLY  44   4.628  15.911  -3.689
 1469   1HA   GLY  44          1HA       GLY  44   6.677  14.042  -3.096
 1470   2HA   GLY  44          2HA       GLY  44   6.960  15.729  -3.529
 1471    H    THR  45           H        THR  45   5.316  16.655  -1.194
 1472    HA   THR  45           HA       THR  45   7.488  16.489   0.813
 1473    HB   THR  45           HB       THR  45   4.902  18.077   0.635
 1474    HG1  THR  45           HG1      THR  45   6.077  19.172  -0.699
 1475   1HG2  THR  45          1HG2      THR  45   6.998  19.162   2.331
 1476   2HG2  THR  45          2HG2      THR  45   6.511  17.557   2.877
 1477   3HG2  THR  45          3HG2      THR  45   5.309  18.838   2.721
 1478    H    ALA  46           H        ALA  46   3.899  16.308   1.040
 1479    HA   ALA  46           HA       ALA  46   3.691  15.140   3.576
 1480   1HB   ALA  46          1HB       ALA  46   1.926  15.939   1.831
 1481   2HB   ALA  46          2HB       ALA  46   1.484  14.594   2.885
 1482   3HB   ALA  46          3HB       ALA  46   1.992  14.284   1.225
 1483    H    LEU  47           H        LEU  47   3.671  13.319   0.484
 1484    HA   LEU  47           HA       LEU  47   4.451  10.858   1.950
 1485   1HB   LEU  47          1HB       LEU  47   3.496  11.572  -0.832
 1486   2HB   LEU  47          2HB       LEU  47   4.168   9.978  -0.498
 1487    HG   LEU  47           HG       LEU  47   1.740   9.894  -0.260
 1488   1HD1  LEU  47          1HD1      LEU  47   3.586   9.130   1.708
 1489   2HD1  LEU  47          2HD1      LEU  47   1.944   8.517   1.511
 1490   3HD1  LEU  47          3HD1      LEU  47   2.255   9.871   2.597
 1491   1HD2  LEU  47          1HD2      LEU  47   0.506  11.337   1.161
 1492   2HD2  LEU  47          2HD2      LEU  47   1.618  12.401   0.300
 1493   3HD2  LEU  47          3HD2      LEU  47   1.963  11.924   1.963
 1494    H    GLU  48           H        GLU  48   6.412  12.955   1.872
 1495    HA   GLU  48           HA       GLU  48   8.273  12.660  -0.291
 1496   1HB   GLU  48          1HB       GLU  48   9.790  13.837   1.310
 1497   2HB   GLU  48          2HB       GLU  48   8.201  14.591   1.220
 1498   1HG   GLU  48          1HG       GLU  48   8.350  14.475   3.499
 1499   2HG   GLU  48          2HG       GLU  48   7.748  12.842   3.231
 1500    H    ASP  49           H        ASP  49   7.483  10.474   2.203
 1501    HA   ASP  49           HA       ASP  49  10.145   9.126   1.936
 1502   1HB   ASP  49          1HB       ASP  49   8.914  10.036   4.183
 1503   2HB   ASP  49          2HB       ASP  49   8.229   8.415   4.105
 1504    H    TYR  50           H        TYR  50   9.915   6.672   2.149
 1505    HA   TYR  50           HA       TYR  50   9.086   4.665   1.215
 1506   1HB   TYR  50          1HB       TYR  50   6.523   6.089   2.025
 1507   2HB   TYR  50          2HB       TYR  50   6.657   4.362   1.701
 1508    HD1  TYR  50           HD1      TYR  50   9.295   3.750   2.944
 1509    HD2  TYR  50           HD2      TYR  50   6.044   6.191   4.333
 1510    HE1  TYR  50           HE1      TYR  50  10.003   3.361   5.288
 1511    HE2  TYR  50           HE2      TYR  50   6.753   5.801   6.676
 1512    HH   TYR  50           HH       TYR  50   8.436   3.504   7.725
 1513    H    LEU  51           H        LEU  51   9.304   7.163  -0.554
 1514    HA   LEU  51           HA       LEU  51   7.270   6.380  -2.617
 1515   1HB   LEU  51          1HB       LEU  51   8.136   8.875  -1.462
 1516   2HB   LEU  51          2HB       LEU  51   8.508   8.888  -3.181
 1517    HG   LEU  51           HG       LEU  51   6.143   8.136  -3.619
 1518   1HD1  LEU  51          1HD1      LEU  51   5.900   8.706  -0.653
 1519   2HD1  LEU  51          2HD1      LEU  51   5.619   7.167  -1.457
 1520   3HD1  LEU  51          3HD1      LEU  51   4.525   8.520  -1.740
 1521   1HD2  LEU  51          1HD2      LEU  51   5.209  10.462  -2.666
 1522   2HD2  LEU  51          2HD2      LEU  51   6.315  10.393  -4.039
 1523   3HD2  LEU  51          3HD2      LEU  51   6.933  10.752  -2.426
 1524    H    PHE  52           H        PHE  52   8.091   5.425  -4.423
 1525    HA   PHE  52           HA       PHE  52  11.013   5.486  -4.943
 1526   1HB   PHE  52          1HB       PHE  52   8.594   4.035  -6.055
 1527   2HB   PHE  52          2HB       PHE  52  10.165   3.937  -6.851
 1528    HD1  PHE  52           HD1      PHE  52   8.405   3.334  -3.622
 1529    HD2  PHE  52           HD2      PHE  52  11.888   2.539  -6.006
 1530    HE1  PHE  52           HE1      PHE  52   9.124   1.608  -1.996
 1531    HE2  PHE  52           HE2      PHE  52  12.608   0.811  -4.379
 1532    HZ   PHE  52           HZ       PHE  52  11.226   0.345  -2.374
 1533    H    SER  53           H        SER  53  11.525   7.496  -5.845
 1534    HA   SER  53           HA       SER  53   9.633   8.790  -7.674
 1535   1HB   SER  53          1HB       SER  53  10.812  10.068  -5.969
 1536   2HB   SER  53          2HB       SER  53  12.369   9.518  -6.590
 1537    HG   SER  53           HG       SER  53  11.924  11.555  -7.407
 1538    H    ARG  54           H        ARG  54   9.668   8.395  -9.829
 1539    HA   ARG  54           HA       ARG  54  12.123   7.272 -11.084
 1540   1HB   ARG  54          1HB       ARG  54   9.668   6.396 -11.277
 1541   2HB   ARG  54          2HB       ARG  54   9.432   7.753 -12.378
 1542   1HG   ARG  54          1HG       ARG  54  10.618   6.756 -14.034
 1543   2HG   ARG  54          2HG       ARG  54  11.879   6.220 -12.923
 1544   1HD   ARG  54          1HD       ARG  54   9.662   4.669 -12.214
 1545   2HD   ARG  54          2HD       ARG  54   9.613   4.718 -13.986
 1546    HE   ARG  54           HE       ARG  54  11.656   3.415 -12.386
 1547   1HH1  ARG  54          1HH1      ARG  54  11.080   5.202 -15.318
 1548   2HH1  ARG  54          2HH1      ARG  54  12.441   4.514 -16.134
 1549   1HH2  ARG  54          1HH2      ARG  54  13.417   2.537 -13.467
 1550   2HH2  ARG  54          2HH2      ARG  54  13.755   3.017 -15.096
 1551    H    LYS  55           H        LYS  55  12.368   8.190 -13.479
 1552    HA   LYS  55           HA       LYS  55  12.873  11.051 -13.214
 1553   1HB   LYS  55          1HB       LYS  55  14.311   9.340 -14.391
 1554   2HB   LYS  55          2HB       LYS  55  13.061   9.215 -15.629
 1555   1HG   LYS  55          1HG       LYS  55  13.585  11.242 -16.545
 1556   2HG   LYS  55          2HG       LYS  55  13.935  11.971 -14.978
 1557   1HD   LYS  55          1HD       LYS  55  16.042  10.489 -14.956
 1558   2HD   LYS  55          2HD       LYS  55  15.729  10.226 -16.671
 1559   1HE   LYS  55          1HE       LYS  55  15.480  13.022 -16.240
 1560   2HE   LYS  55          2HE       LYS  55  16.963  12.508 -15.413
 1561   1HZ   LYS  55          1HZ       LYS  55  17.415  11.146 -17.476
 1562   2HZ   LYS  55          2HZ       LYS  55  17.563  12.827 -17.661
 1563   3HZ   LYS  55          3HZ       LYS  55  16.179  12.029 -18.236
 1564    H    ASN  56           H        ASN  56  10.592  11.695 -12.910
 1565    HA   ASN  56           HA       ASN  56   8.754  11.410 -15.194
 1566   1HB   ASN  56          1HB       ASN  56  10.326  13.210 -15.855
 1567   2HB   ASN  56          2HB       ASN  56   8.717  13.871 -15.567
 1568   1HD2  ASN  56          1HD2      ASN  56   8.884  15.815 -14.448
 1569   2HD2  ASN  56          2HD2      ASN  56   9.994  16.136 -13.204
 1570    H    MET  57           H        MET  57   8.951  11.008 -12.136
 1571    HA   MET  57           HA       MET  57   7.203  12.920 -10.873
 1572   1HB   MET  57          1HB       MET  57   5.137  11.513 -10.942
 1573   2HB   MET  57          2HB       MET  57   5.635  12.027 -12.552
 1574   1HG   MET  57          1HG       MET  57   6.898   9.516 -11.734
 1575   2HG   MET  57          2HG       MET  57   5.138   9.408 -11.767
 1576   1HE   MET  57          1HE       MET  57   3.763   9.187 -14.312
 1577   2HE   MET  57          2HE       MET  57   4.135  10.700 -15.137
 1578   3HE   MET  57          3HE       MET  57   3.856  10.691 -13.396
 1579    H    SER  58           H        SER  58   6.022  11.676  -8.911
 1580    HA   SER  58           HA       SER  58   7.988   9.709  -7.788
 1581   1HB   SER  58          1HB       SER  58   6.387  11.851  -6.346
 1582   2HB   SER  58          2HB       SER  58   7.661  10.849  -5.651
 1583    HG   SER  58           HG       SER  58   7.912  13.163  -6.883
 1584    H    ALA  59           H        ALA  59   7.064   7.864  -6.839
 1585    HA   ALA  59           HA       ALA  59   4.080   7.844  -6.568
 1586   1HB   ALA  59          1HB       ALA  59   4.400   5.401  -7.436
 1587   2HB   ALA  59          2HB       ALA  59   5.980   5.967  -7.978
 1588   3HB   ALA  59          3HB       ALA  59   4.513   6.717  -8.606
 1589    H    MET  60           H        MET  60   3.266   6.382  -4.950
 1590    HA   MET  60           HA       MET  60   5.181   5.827  -2.768
 1591   1HB   MET  60          1HB       MET  60   3.080   6.894  -2.219
 1592   2HB   MET  60          2HB       MET  60   2.168   5.683  -3.116
 1593   1HG   MET  60          1HG       MET  60   1.983   5.185  -0.745
 1594   2HG   MET  60          2HG       MET  60   2.985   3.947  -1.501
 1595   1HE   MET  60          1HE       MET  60   3.909   7.703   0.428
 1596   2HE   MET  60          2HE       MET  60   3.586   6.660   1.814
 1597   3HE   MET  60          3HE       MET  60   2.413   6.772   0.502
 1598    H    ALA  61           H        ALA  61   5.389   3.706  -1.829
 1599    HA   ALA  61           HA       ALA  61   5.216   1.524  -3.801
 1600   1HB   ALA  61          1HB       ALA  61   6.517   2.135  -1.184
 1601   2HB   ALA  61          2HB       ALA  61   7.216   1.433  -2.644
 1602   3HB   ALA  61          3HB       ALA  61   6.253   0.431  -1.558
 1603    H    LEU  62           H        LEU  62   2.950   1.046  -3.909
 1604    HA   LEU  62           HA       LEU  62   0.980  -0.073  -3.251
 1605   1HB   LEU  62          1HB       LEU  62   0.946   0.566  -0.480
 1606   2HB   LEU  62          2HB       LEU  62   1.723   1.921  -1.300
 1607    HG   LEU  62           HG       LEU  62  -0.228   1.778  -2.985
 1608   1HD1  LEU  62          1HD1      LEU  62  -2.088   0.793  -1.025
 1609   2HD1  LEU  62          2HD1      LEU  62  -0.849  -0.430  -1.309
 1610   3HD1  LEU  62          3HD1      LEU  62  -1.795   0.197  -2.659
 1611   1HD2  LEU  62          1HD2      LEU  62   0.117   3.491  -1.115
 1612   2HD2  LEU  62          2HD2      LEU  62  -1.012   2.529  -0.162
 1613   3HD2  LEU  62          3HD2      LEU  62  -1.544   3.274  -1.669
 1614    H    GLY  63           H        GLY  63   3.546  -1.533  -3.046
 1615   1HA   GLY  63          1HA       GLY  63   2.585  -3.694  -1.294
 1616   2HA   GLY  63          2HA       GLY  63   3.939  -3.799  -2.417
 1617    H    PHE  64           H        PHE  64   5.610  -4.442  -1.104
 1618    HA   PHE  64           HA       PHE  64   5.980  -3.200   1.556
 1619   1HB   PHE  64          1HB       PHE  64   7.487  -5.328  -0.011
 1620   2HB   PHE  64          2HB       PHE  64   7.780  -4.926   1.680
 1621    HD1  PHE  64           HD1      PHE  64   6.298  -5.666   3.422
 1622    HD2  PHE  64           HD2      PHE  64   5.309  -6.323  -0.706
 1623    HE1  PHE  64           HE1      PHE  64   4.469  -7.195   4.104
 1624    HE2  PHE  64           HE2      PHE  64   3.480  -7.853  -0.025
 1625    HZ   PHE  64           HZ       PHE  64   3.060  -8.289   2.380
 1626    H    GLY  65           H        GLY  65   6.479  -1.840  -1.225
 1627   1HA   GLY  65          1HA       GLY  65   9.278  -1.420  -1.512
 1628   2HA   GLY  65          2HA       GLY  65   8.037  -0.320  -2.091
 1629    H    ALA  66           H        ALA  66   7.022  -0.200   0.820
 1630    HA   ALA  66           HA       ALA  66   8.744   2.077   1.586
 1631   1HB   ALA  66          1HB       ALA  66   6.240   2.141   1.527
 1632   2HB   ALA  66          2HB       ALA  66   6.880   2.518   3.127
 1633   3HB   ALA  66          3HB       ALA  66   6.208   0.921   2.801
 1634    H    ILE  67           H        ILE  67   7.346  -0.712   3.359
 1635    HA   ILE  67           HA       ILE  67   8.852  -0.482   5.711
 1636    HB   ILE  67           HB       ILE  67   8.375  -2.961   5.889
 1637   1HG1  ILE  67          1HG1      ILE  67   6.719  -3.556   3.834
 1638   2HG1  ILE  67          2HG1      ILE  67   7.883  -2.541   2.988
 1639   1HG2  ILE  67          1HG2      ILE  67   6.289  -0.948   5.091
 1640   2HG2  ILE  67          2HG2      ILE  67   6.637  -1.613   6.688
 1641   3HG2  ILE  67          3HG2      ILE  67   5.823  -2.605   5.477
 1642   1HD1  ILE  67          1HD1      ILE  67   9.454  -4.173   4.621
 1643   2HD1  ILE  67          2HD1      ILE  67   9.223  -4.345   2.882
 1644   3HD1  ILE  67          3HD1      ILE  67   8.201  -5.248   4.000
 1645    H    PHE  68           H        PHE  68   9.992  -1.500   2.577
 1646    HA   PHE  68           HA       PHE  68  12.068  -3.262   3.139
 1647   1HB   PHE  68          1HB       PHE  68  11.446  -1.158   1.165
 1648   2HB   PHE  68          2HB       PHE  68  13.168  -1.493   1.303
 1649    HD1  PHE  68           HD1      PHE  68  13.052  -4.439   2.002
 1650    HD2  PHE  68           HD2      PHE  68  10.932  -2.121  -0.919
 1651    HE1  PHE  68           HE1      PHE  68  12.747  -6.468   0.613
 1652    HE2  PHE  68           HE2      PHE  68  10.625  -4.144  -2.308
 1653    HZ   PHE  68           HZ       PHE  68  11.532  -6.322  -1.545
 1654    H    ASN  69           H        ASN  69  14.224  -3.054   3.867
 1655    HA   ASN  69           HA       ASN  69  14.867  -0.446   5.204
 1656   1HB   ASN  69          1HB       ASN  69  15.542  -3.325   5.916
 1657   2HB   ASN  69          2HB       ASN  69  16.085  -1.916   6.828
 1658   1HD2  ASN  69          1HD2      ASN  69  14.472  -3.787   8.165
 1659   2HD2  ASN  69          2HD2      ASN  69  12.926  -3.133   8.417
 1660    H    HIS  70           H        HIS  70  17.337  -0.230   5.529
 1661    HA   HIS  70           HA       HIS  70  18.639  -0.730   2.914
 1662   1HB   HIS  70          1HB       HIS  70  18.604   1.512   3.985
 1663   2HB   HIS  70          2HB       HIS  70  19.459   0.852   5.379
 1664    HD1  HIS  70           HD1      HIS  70  19.961   1.975   1.860
 1665    HD2  HIS  70           HD2      HIS  70  22.207   0.140   4.854
 1666    HE1  HIS  70           HE1      HIS  70  22.378   2.081   1.110
 1667    H    SER  71           H        SER  71  20.624  -1.863   2.729
 1668    HA   SER  71           HA       SER  71  21.907  -3.036   5.100
 1669   1HB   SER  71          1HB       SER  71  20.056  -4.557   4.847
 1670   2HB   SER  71          2HB       SER  71  20.266  -4.618   3.097
 1671    HG   SER  71           HG       SER  71  21.333  -6.203   4.891
 1672    H    LYS  72           H        LYS  72  24.068  -3.250   4.627
 1673    HA   LYS  72           HA       LYS  72  25.264  -2.409   2.230
 1674   1HB   LYS  72          1HB       LYS  72  25.973  -3.901   4.671
 1675   2HB   LYS  72          2HB       LYS  72  27.016  -4.270   3.297
 1676   1HG   LYS  72          1HG       LYS  72  28.076  -2.407   4.255
 1677   2HG   LYS  72          2HG       LYS  72  27.098  -1.678   2.981
 1678   1HD   LYS  72          1HD       LYS  72  25.616  -0.735   4.470
 1679   2HD   LYS  72          2HD       LYS  72  25.811  -2.033   5.648
 1680   1HE   LYS  72          1HE       LYS  72  28.281  -0.492   5.213
 1681   2HE   LYS  72          2HE       LYS  72  26.951   0.472   5.883
 1682   1HZ   LYS  72          1HZ       LYS  72  27.814  -2.196   6.886
 1683   2HZ   LYS  72          2HZ       LYS  72  26.586  -1.227   7.548
 1684   3HZ   LYS  72          3HZ       LYS  72  28.204  -0.715   7.621
 1685    H    ASP  73           H        ASP  73  23.925  -5.559   3.046
 1686    HA   ASP  73           HA       ASP  73  24.819  -6.583   0.370
 1687   1HB   ASP  73          1HB       ASP  73  25.719  -7.685   2.453
 1688   2HB   ASP  73          2HB       ASP  73  24.064  -8.109   2.889
 1689    HA   PRO  74           HA       PRO  74  20.181  -6.141   0.380
 1690   1HB   PRO  74          1HB       PRO  74  20.102  -5.356  -2.288
 1691   2HB   PRO  74          2HB       PRO  74  20.160  -4.235  -0.917
 1692   1HG   PRO  74          1HG       PRO  74  22.337  -5.141  -2.723
 1693   2HG   PRO  74          2HG       PRO  74  22.077  -3.561  -1.973
 1694   1HD   PRO  74          1HD       PRO  74  23.916  -5.352  -1.081
 1695   2HD   PRO  74          2HD       PRO  74  23.108  -4.180  -0.020
 1696    H    ASN  75           H        ASN  75  19.693  -8.343   0.364
 1697    HA   ASN  75           HA       ASN  75  20.667 -10.190  -1.638
 1698   1HB   ASN  75          1HB       ASN  75  18.422 -10.276   0.410
 1699   2HB   ASN  75          2HB       ASN  75  18.989 -11.682  -0.492
 1700   1HD2  ASN  75          1HD2      ASN  75  19.652 -12.612   1.655
 1701   2HD2  ASN  75          2HD2      ASN  75  21.102 -12.098   2.372
 1702    H    ALA  76           H        ALA  76  18.168  -7.843  -1.695
 1703    HA   ALA  76           HA       ALA  76  17.112  -9.043  -4.202
 1704   1HB   ALA  76          1HB       ALA  76  15.488  -9.872  -2.753
 1705   2HB   ALA  76          2HB       ALA  76  14.794  -8.288  -3.100
 1706   3HB   ALA  76          3HB       ALA  76  15.696  -8.549  -1.606
 1707    H    ARG  77           H        ARG  77  15.877  -7.457  -5.483
 1708    HA   ARG  77           HA       ARG  77  16.492  -4.612  -4.751
 1709   1HB   ARG  77          1HB       ARG  77  17.952  -5.701  -6.525
 1710   2HB   ARG  77          2HB       ARG  77  16.503  -5.877  -7.515
 1711   1HG   ARG  77          1HG       ARG  77  17.289  -3.837  -8.293
 1712   2HG   ARG  77          2HG       ARG  77  16.237  -3.289  -6.989
 1713   1HD   ARG  77          1HD       ARG  77  18.278  -3.362  -5.461
 1714   2HD   ARG  77          2HD       ARG  77  19.254  -3.597  -6.924
 1715    HE   ARG  77           HE       ARG  77  17.579  -1.444  -7.519
 1716   1HH1  ARG  77          1HH1      ARG  77  19.926  -2.194  -5.060
 1717   2HH1  ARG  77          2HH1      ARG  77  20.376  -0.540  -4.830
 1718   1HH2  ARG  77          1HH2      ARG  77  18.179   0.695  -7.203
 1719   2HH2  ARG  77          2HH2      ARG  77  19.395   1.085  -6.033
 1720    H    HIS  78           H        HIS  78  14.921  -3.059  -5.575
 1721    HA   HIS  78           HA       HIS  78  12.204  -4.198  -5.789
 1722   1HB   HIS  78          1HB       HIS  78  11.570  -1.824  -5.478
 1723   2HB   HIS  78          2HB       HIS  78  12.771  -2.306  -4.280
 1724    HD1  HIS  78           HD1      HIS  78  15.005  -1.101  -4.308
 1725    HD2  HIS  78           HD2      HIS  78  12.671  -0.202  -7.643
 1726    HE1  HIS  78           HE1      HIS  78  16.183   0.786  -5.520
 1727    H    GLU  79           H        GLU  79  11.007  -4.212  -7.668
 1728    HA   GLU  79           HA       GLU  79  12.247  -2.964 -10.100
 1729   1HB   GLU  79          1HB       GLU  79  12.001  -5.545  -9.747
 1730   2HB   GLU  79          2HB       GLU  79  10.289  -5.265 -10.067
 1731   1HG   GLU  79          1HG       GLU  79  10.708  -4.480 -12.256
 1732   2HG   GLU  79          2HG       GLU  79  12.418  -4.205 -11.924
 1733    H    LEU  80           H        LEU  80  10.578  -2.310 -11.765
 1734    HA   LEU  80           HA       LEU  80   8.055  -1.367 -10.439
 1735   1HB   LEU  80          1HB       LEU  80  10.067  -0.083 -12.272
 1736   2HB   LEU  80          2HB       LEU  80   8.398   0.485 -12.297
 1737    HG   LEU  80           HG       LEU  80  10.129   0.280  -9.814
 1738   1HD1  LEU  80          1HD1      LEU  80   9.571   2.469 -11.767
 1739   2HD1  LEU  80          2HD1      LEU  80  11.029   2.147 -10.829
 1740   3HD1  LEU  80          3HD1      LEU  80   9.633   2.899 -10.058
 1741   1HD2  LEU  80          1HD2      LEU  80   8.074   1.918  -9.178
 1742   2HD2  LEU  80          2HD2      LEU  80   8.023   0.175  -8.916
 1743   3HD2  LEU  80          3HD2      LEU  80   7.267   0.873 -10.348
 1744    H    THR  81           H        THR  81   6.230  -1.090 -11.948
 1745    HA   THR  81           HA       THR  81   6.419  -2.850 -14.366
 1746    HB   THR  81           HB       THR  81   4.379  -2.704 -12.123
 1747    HG1  THR  81           HG1      THR  81   5.830  -4.907 -13.136
 1748   1HG2  THR  81          1HG2      THR  81   3.045  -2.988 -14.061
 1749   2HG2  THR  81          2HG2      THR  81   3.296  -4.623 -13.450
 1750   3HG2  THR  81          3HG2      THR  81   4.236  -4.042 -14.824
 1751    H    ALA  82           H        ALA  82   5.893  -1.624 -16.136
 1752    HA   ALA  82           HA       ALA  82   4.893   0.062 -17.456
 1753   1HB   ALA  82          1HB       ALA  82   2.452   0.424 -16.090
 1754   2HB   ALA  82          2HB       ALA  82   2.939  -1.232 -15.728
 1755   3HB   ALA  82          3HB       ALA  82   2.759  -0.712 -17.404
 1756    H    GLY  83           H        GLY  83   6.665   1.380 -16.091
 1757   1HA   GLY  83          1HA       GLY  83   7.128   3.557 -15.311
 1758   2HA   GLY  83          2HA       GLY  83   5.398   3.895 -15.372
 1759    H    LEU  84           H        LEU  84   4.547   4.302 -13.394
 1760    HA   LEU  84           HA       LEU  84   5.788   2.953 -11.016
 1761   1HB   LEU  84          1HB       LEU  84   4.501   5.675 -11.422
 1762   2HB   LEU  84          2HB       LEU  84   4.942   5.042  -9.837
 1763    HG   LEU  84           HG       LEU  84   6.938   5.201 -12.098
 1764   1HD1  LEU  84          1HD1      LEU  84   5.780   7.447 -11.325
 1765   2HD1  LEU  84          2HD1      LEU  84   7.531   7.378 -11.524
 1766   3HD1  LEU  84          3HD1      LEU  84   6.820   7.254  -9.914
 1767   1HD2  LEU  84          1HD2      LEU  84   8.325   5.496  -9.809
 1768   2HD2  LEU  84          2HD2      LEU  84   7.939   3.911 -10.480
 1769   3HD2  LEU  84          3HD2      LEU  84   6.950   4.586  -9.185
 1770    H    LYS  85           H        LYS  85   3.461   2.107 -12.790
 1771    HA   LYS  85           HA       LYS  85   1.036   2.507 -11.224
 1772   1HB   LYS  85          1HB       LYS  85   1.932   0.795 -13.549
 1773   2HB   LYS  85          2HB       LYS  85   0.323   0.601 -12.856
 1774   1HG   LYS  85          1HG       LYS  85   1.396   3.291 -13.730
 1775   2HG   LYS  85          2HG       LYS  85   0.513   2.229 -14.826
 1776   1HD   LYS  85          1HD       LYS  85  -1.481   2.431 -13.626
 1777   2HD   LYS  85          2HD       LYS  85  -0.653   2.874 -12.133
 1778   1HE   LYS  85          1HE       LYS  85   0.107   4.955 -13.698
 1779   2HE   LYS  85          2HE       LYS  85  -1.474   4.594 -14.416
 1780   1HZ   LYS  85          1HZ       LYS  85  -0.911   4.957 -11.515
 1781   2HZ   LYS  85          2HZ       LYS  85  -2.424   4.566 -12.179
 1782   3HZ   LYS  85          3HZ       LYS  85  -1.714   6.072 -12.512
 1783    H    ARG  86           H        ARG  86   3.015  -0.409 -11.906
 1784    HA   ARG  86           HA       ARG  86   2.061  -1.528  -9.290
 1785   1HB   ARG  86          1HB       ARG  86   2.003  -2.469 -12.016
 1786   2HB   ARG  86          2HB       ARG  86   3.002  -3.557 -11.052
 1787   1HG   ARG  86          1HG       ARG  86   0.737  -2.925  -9.466
 1788   2HG   ARG  86          2HG       ARG  86   0.132  -3.300 -11.080
 1789   1HD   ARG  86          1HD       ARG  86   1.260  -5.442 -11.077
 1790   2HD   ARG  86          2HD       ARG  86   2.102  -5.050  -9.567
 1791    HE   ARG  86           HE       ARG  86   0.093  -5.516  -8.399
 1792   1HH1  ARG  86          1HH1      ARG  86  -0.521  -5.051 -11.794
 1793   2HH1  ARG  86          2HH1      ARG  86  -2.184  -5.508 -11.668
 1794   1HH2  ARG  86          1HH2      ARG  86  -2.068  -6.106  -8.261
 1795   2HH2  ARG  86          2HH2      ARG  86  -3.056  -6.102  -9.684
 1796    H    MET  87           H        MET  87   3.650  -2.646  -8.024
 1797    HA   MET  87           HA       MET  87   6.484  -2.084  -8.841
 1798   1HB   MET  87          1HB       MET  87   4.896  -1.461  -6.527
 1799   2HB   MET  87          2HB       MET  87   6.194  -2.546  -6.033
 1800   1HG   MET  87          1HG       MET  87   7.803  -1.040  -7.275
 1801   2HG   MET  87          2HG       MET  87   6.470   0.095  -7.494
 1802   1HE   MET  87          1HE       MET  87   8.738  -1.829  -5.114
 1803   2HE   MET  87          2HE       MET  87   9.122  -0.572  -3.937
 1804   3HE   MET  87          3HE       MET  87   9.495  -0.327  -5.643
 1805    H    ARG  88           H        ARG  88   8.018  -3.749  -8.508
 1806    HA   ARG  88           HA       ARG  88   6.893  -6.425  -7.738
 1807   1HB   ARG  88          1HB       ARG  88   8.346  -5.415 -10.106
 1808   2HB   ARG  88          2HB       ARG  88   9.003  -6.914  -9.450
 1809   1HG   ARG  88          1HG       ARG  88   6.686  -7.875  -9.486
 1810   2HG   ARG  88          2HG       ARG  88   6.139  -6.410 -10.299
 1811   1HD   ARG  88          1HD       ARG  88   8.361  -7.170 -11.795
 1812   2HD   ARG  88          2HD       ARG  88   7.570  -8.711 -11.410
 1813    HE   ARG  88           HE       ARG  88   5.591  -6.757 -12.140
 1814   1HH1  ARG  88          1HH1      ARG  88   8.104  -8.752 -13.491
 1815   2HH1  ARG  88          2HH1      ARG  88   7.348  -8.844 -15.043
 1816   1HH2  ARG  88          1HH2      ARG  88   4.629  -6.893 -14.164
 1817   2HH2  ARG  88          2HH2      ARG  88   5.396  -7.801 -15.424
 1818    H    ILE  89           H        ILE  89   8.590  -7.925  -6.907
 1819    HA   ILE  89           HA       ILE  89  10.999  -6.540  -5.804
 1820    HB   ILE  89           HB       ILE  89   8.891  -8.192  -4.368
 1821   1HG1  ILE  89          1HG1      ILE  89  10.019  -5.574  -3.443
 1822   2HG1  ILE  89          2HG1      ILE  89   8.857  -5.571  -4.765
 1823   1HG2  ILE  89          1HG2      ILE  89  11.629  -7.322  -3.384
 1824   2HG2  ILE  89          2HG2      ILE  89  11.085  -8.982  -3.621
 1825   3HG2  ILE  89          3HG2      ILE  89  10.359  -7.989  -2.358
 1826   1HD1  ILE  89          1HD1      ILE  89   8.039  -7.307  -2.557
 1827   2HD1  ILE  89          2HD1      ILE  89   7.131  -6.039  -3.383
 1828   3HD1  ILE  89          3HD1      ILE  89   8.227  -5.624  -2.063
 1829    H    PHE  90           H        PHE  90  12.668  -7.673  -6.725
 1830    HA   PHE  90           HA       PHE  90  12.348 -10.632  -7.064
 1831   1HB   PHE  90          1HB       PHE  90  13.563  -8.389  -8.600
 1832   2HB   PHE  90          2HB       PHE  90  14.440  -9.919  -8.643
 1833    HD1  PHE  90           HD1      PHE  90  13.643 -11.761  -9.910
 1834    HD2  PHE  90           HD2      PHE  90  11.101  -8.366  -9.226
 1835    HE1  PHE  90           HE1      PHE  90  12.000 -12.666 -11.531
 1836    HE2  PHE  90           HE2      PHE  90   9.460  -9.271 -10.846
 1837    HZ   PHE  90           HZ       PHE  90   9.907 -11.422 -11.996
 1838    H    THR  91           H        THR  91  14.688 -11.684  -7.117
 1839    HA   THR  91           HA       THR  91  16.205 -10.651  -4.744
 1840    HB   THR  91           HB       THR  91  16.693 -13.168  -4.468
 1841    HG1  THR  91           HG1      THR  91  15.961 -14.349  -6.016
 1842   1HG2  THR  91          1HG2      THR  91  14.891 -11.690  -3.281
 1843   2HG2  THR  91          2HG2      THR  91  14.778 -13.445  -3.145
 1844   3HG2  THR  91          3HG2      THR  91  13.749 -12.581  -4.287
 1845    H    ILE  92           H        ILE  92  17.911  -9.617  -5.879
 1846    HA   ILE  92           HA       ILE  92  19.183 -10.461  -8.244
 1847    HB   ILE  92           HB       ILE  92  21.122  -9.153  -7.286
 1848   1HG1  ILE  92          1HG1      ILE  92  19.365  -8.770  -4.859
 1849   2HG1  ILE  92          2HG1      ILE  92  20.610 -10.017  -4.911
 1850   1HG2  ILE  92          1HG2      ILE  92  19.358  -7.172  -6.580
 1851   2HG2  ILE  92          2HG2      ILE  92  18.323  -8.254  -7.511
 1852   3HG2  ILE  92          3HG2      ILE  92  19.782  -7.585  -8.241
 1853   1HD1  ILE  92          1HD1      ILE  92  20.891  -7.099  -4.650
 1854   2HD1  ILE  92          2HD1      ILE  92  21.973  -7.818  -5.843
 1855   3HD1  ILE  92          3HD1      ILE  92  22.001  -8.384  -4.172
 1856    H    LYS  93           H        LYS  93  19.505 -11.688  -4.964
 1857    HA   LYS  93           HA       LYS  93  21.311 -13.827  -6.024
 1858   1HB   LYS  93          1HB       LYS  93  22.551 -13.624  -3.849
 1859   2HB   LYS  93          2HB       LYS  93  22.647 -12.160  -4.825
 1860   1HG   LYS  93          1HG       LYS  93  21.733 -10.976  -3.148
 1861   2HG   LYS  93          2HG       LYS  93  20.292 -11.990  -3.213
 1862   1HD   LYS  93          1HD       LYS  93  20.865 -12.748  -1.166
 1863   2HD   LYS  93          2HD       LYS  93  22.210 -13.584  -1.941
 1864   1HE   LYS  93          1HE       LYS  93  22.612 -10.685  -1.364
 1865   2HE   LYS  93          2HE       LYS  93  22.603 -11.785   0.027
 1866   1HZ   LYS  93          1HZ       LYS  93  24.153 -13.226  -1.207
 1867   2HZ   LYS  93          2HZ       LYS  93  24.816 -11.691  -0.907
 1868   3HZ   LYS  93          3HZ       LYS  93  24.225 -12.074  -2.453
 1869    HA   PRO  94           HA       PRO  94  18.373 -16.636  -4.335
 1870   1HB   PRO  94          1HB       PRO  94  20.732 -18.122  -3.282
 1871   2HB   PRO  94          2HB       PRO  94  19.405 -18.701  -4.303
 1872   1HG   PRO  94          1HG       PRO  94  21.865 -18.212  -5.272
 1873   2HG   PRO  94          2HG       PRO  94  20.397 -17.977  -6.230
 1874   1HD   PRO  94          1HD       PRO  94  22.208 -15.970  -5.031
 1875   2HD   PRO  94          2HD       PRO  94  21.141 -15.834  -6.443
 1876    H    ILE  95           H        ILE  95  17.401 -16.983  -2.293
 1877    HA   ILE  95           HA       ILE  95  18.877 -15.820   0.048
 1878    HB   ILE  95           HB       ILE  95  15.956 -15.697  -0.786
 1879   1HG1  ILE  95          1HG1      ILE  95  18.055 -13.535  -0.436
 1880   2HG1  ILE  95          2HG1      ILE  95  17.513 -14.179  -1.986
 1881   1HG2  ILE  95          1HG2      ILE  95  17.327 -15.141   1.801
 1882   2HG2  ILE  95          2HG2      ILE  95  15.672 -15.668   1.497
 1883   3HG2  ILE  95          3HG2      ILE  95  16.112 -13.975   1.277
 1884   1HD1  ILE  95          1HD1      ILE  95  16.073 -12.406  -0.056
 1885   2HD1  ILE  95          2HD1      ILE  95  15.117 -13.555  -0.992
 1886   3HD1  ILE  95          3HD1      ILE  95  16.105 -12.351  -1.818
 1887    H    ALA  96           H        ALA  96  18.587 -16.886   2.053
 1888    HA   ALA  96           HA       ALA  96  17.726 -19.708   1.864
 1889   1HB   ALA  96          1HB       ALA  96  19.343 -19.929   3.445
 1890   2HB   ALA  96          2HB       ALA  96  18.574 -18.722   4.476
 1891   3HB   ALA  96          3HB       ALA  96  19.694 -18.216   3.212
 1892    H    ILE  97           H        ILE  97  16.114 -20.597   3.261
 1893    HA   ILE  97           HA       ILE  97  13.724 -19.173   3.598
 1894    HB   ILE  97           HB       ILE  97  14.914 -21.559   5.053
 1895   1HG1  ILE  97          1HG1      ILE  97  12.794 -21.627   2.926
 1896   2HG1  ILE  97          2HG1      ILE  97  14.484 -21.432   2.463
 1897   1HG2  ILE  97          1HG2      ILE  97  12.510 -20.127   5.643
 1898   2HG2  ILE  97          2HG2      ILE  97  13.080 -21.637   6.353
 1899   3HG2  ILE  97          3HG2      ILE  97  12.061 -21.668   4.913
 1900   1HD1  ILE  97          1HD1      ILE  97  14.638 -23.475   4.294
 1901   2HD1  ILE  97          2HD1      ILE  97  14.555 -23.700   2.547
 1902   3HD1  ILE  97          3HD1      ILE  97  13.088 -23.802   3.519
 1903    H    GLY  98           H        GLY  98  16.562 -19.095   5.619
 1904   1HA   GLY  98          1HA       GLY  98  14.998 -17.644   7.714
 1905   2HA   GLY  98          2HA       GLY  98  16.503 -18.507   8.033
 1906    H    GLU  99           H        GLU  99  15.408 -15.987   5.712
 1907    HA   GLU  99           HA       GLU  99  17.816 -14.398   6.530
 1908   1HB   GLU  99          1HB       GLU  99  16.918 -15.468   3.900
 1909   2HB   GLU  99          2HB       GLU  99  17.549 -13.821   3.887
 1910   1HG   GLU  99          1HG       GLU  99  19.124 -15.776   5.463
 1911   2HG   GLU  99          2HG       GLU  99  19.125 -16.033   3.719
 1912    H    GLU 100           H        GLU 100  17.545 -12.085   5.417
 1913    HA   GLU 100           HA       GLU 100  14.697 -11.211   5.782
 1914   1HB   GLU 100          1HB       GLU 100  16.397 -10.713   7.646
 1915   2HB   GLU 100          2HB       GLU 100  17.191  -9.636   6.496
 1916   1HG   GLU 100          1HG       GLU 100  14.687  -8.734   6.203
 1917   2HG   GLU 100          2HG       GLU 100  14.542  -9.352   7.848
 1918    H    ILE 101           H        ILE 101  13.918 -10.134   4.014
 1919    HA   ILE 101           HA       ILE 101  15.763  -9.464   1.811
 1920    HB   ILE 101           HB       ILE 101  12.743  -9.325   2.141
 1921   1HG1  ILE 101          1HG1      ILE 101  14.537 -11.394   0.833
 1922   2HG1  ILE 101          2HG1      ILE 101  13.665 -11.604   2.351
 1923   1HG2  ILE 101          1HG2      ILE 101  14.001  -9.580  -0.533
 1924   2HG2  ILE 101          2HG2      ILE 101  14.189  -8.011   0.251
 1925   3HG2  ILE 101          3HG2      ILE 101  12.577  -8.663  -0.043
 1926   1HD1  ILE 101          1HD1      ILE 101  12.660 -11.687  -0.431
 1927   2HD1  ILE 101          2HD1      ILE 101  11.640 -10.804   0.705
 1928   3HD1  ILE 101          3HD1      ILE 101  12.046 -12.493   1.012
 1929    H    THR 102           H        THR 102  16.406  -7.410   1.333
 1930    HA   THR 102           HA       THR 102  14.859  -5.076   2.298
 1931    HB   THR 102           HB       THR 102  17.079  -4.202   3.287
 1932    HG1  THR 102           HG1      THR 102  17.684  -6.960   3.340
 1933   1HG2  THR 102          1HG2      THR 102  16.076  -6.661   4.711
 1934   2HG2  THR 102          2HG2      THR 102  15.041  -5.246   4.522
 1935   3HG2  THR 102          3HG2      THR 102  16.566  -5.112   5.398
 1936    H    ILE 103           H        ILE 103  15.833  -3.020   1.353
 1937    HA   ILE 103           HA       ILE 103  17.497  -3.555  -1.075
 1938    HB   ILE 103           HB       ILE 103  15.894  -2.187  -2.369
 1939   1HG1  ILE 103          1HG1      ILE 103  13.618  -1.987  -0.846
 1940   2HG1  ILE 103          2HG1      ILE 103  14.874  -1.653   0.346
 1941   1HG2  ILE 103          1HG2      ILE 103  15.528  -4.770  -1.533
 1942   2HG2  ILE 103          2HG2      ILE 103  14.517  -3.963  -2.731
 1943   3HG2  ILE 103          3HG2      ILE 103  14.004  -4.028  -1.045
 1944   1HD1  ILE 103          1HD1      ILE 103  15.192   0.402  -0.515
 1945   2HD1  ILE 103          2HD1      ILE 103  13.855   0.111  -1.627
 1946   3HD1  ILE 103          3HD1      ILE 103  15.504  -0.285  -2.109
 1947    H    SER 104           H        SER 104  18.618  -1.636  -1.855
 1948    HA   SER 104           HA       SER 104  19.228   0.284   0.317
 1949   1HB   SER 104          1HB       SER 104  20.993  -0.909  -0.971
 1950   2HB   SER 104          2HB       SER 104  20.403  -0.161  -2.454
 1951    HG   SER 104           HG       SER 104  21.709   1.390  -1.949
 1952    H    TYR 105           H        TYR 105  19.984   2.503  -1.196
 1953    HA   TYR 105           HA       TYR 105  17.454   3.356  -2.565
 1954   1HB   TYR 105          1HB       TYR 105  19.132   4.989  -0.623
 1955   2HB   TYR 105          2HB       TYR 105  17.570   5.441  -1.302
 1956    HD1  TYR 105           HD1      TYR 105  18.797   4.715   1.685
 1957    HD2  TYR 105           HD2      TYR 105  16.017   2.961  -1.080
 1958    HE1  TYR 105           HE1      TYR 105  17.660   3.559   3.561
 1959    HE2  TYR 105           HE2      TYR 105  14.880   1.805   0.798
 1960    HH   TYR 105           HH       TYR 105  14.631   1.896   3.128
 1961    H    GLY 106           H        GLY 106  20.789   4.468  -1.856
 1962   1HA   GLY 106          1HA       GLY 106  22.441   5.310  -3.291
 1963   2HA   GLY 106          2HA       GLY 106  21.549   4.578  -4.624
 1964    H    ASP 107           H        ASP 107  22.760   7.074  -4.915
 1965    HA   ASP 107           HA       ASP 107  22.290   9.263  -5.648
 1966   1HB   ASP 107          1HB       ASP 107  20.589   7.519  -6.789
 1967   2HB   ASP 107          2HB       ASP 107  19.411   8.494  -5.910
 1968    H    ASP 108           H        ASP 108  22.483  10.599  -3.868
 1969    HA   ASP 108           HA       ASP 108  21.821  12.042  -2.143
 1970   1HB   ASP 108          1HB       ASP 108  19.258  11.464  -3.641
 1971   2HB   ASP 108          2HB       ASP 108  19.309  12.609  -2.305
 1972    H    TYR 109           H        TYR 109  18.932   9.943  -2.202
 1973    HA   TYR 109           HA       TYR 109  18.347   9.817   0.476
 1974   1HB   TYR 109          1HB       TYR 109  17.947   8.219  -1.914
 1975   2HB   TYR 109          2HB       TYR 109  18.027   7.183  -0.489
 1976    HD1  TYR 109           HD1      TYR 109  15.828   6.621   0.104
 1977    HD2  TYR 109           HD2      TYR 109  16.760  10.682  -0.938
 1978    HE1  TYR 109           HE1      TYR 109  13.529   7.309   0.732
 1979    HE2  TYR 109           HE2      TYR 109  14.462  11.371  -0.310
 1980    HH   TYR 109           HH       TYR 109  12.012   9.690  -0.178
 1981    H    TRP 110           H        TRP 110  19.843   9.591   2.094
 1982    HA   TRP 110           HA       TRP 110  21.593   8.674   3.386
 1983   1HB   TRP 110          1HB       TRP 110  19.510   6.900   2.839
 1984   2HB   TRP 110          2HB       TRP 110  20.962   5.943   2.538
 1985    HD1  TRP 110           HD1      TRP 110  22.436   5.280   4.563
 1986    HE1  TRP 110           HE1      TRP 110  22.208   5.568   7.115
 1987    HE3  TRP 110           HE3      TRP 110  18.546   8.583   4.733
 1988    HZ2  TRP 110           HZ2      TRP 110  20.590   7.009   8.981
 1989    HZ3  TRP 110           HZ3      TRP 110  17.682   9.397   6.909
 1990    HH2  TRP 110           HH2      TRP 110  18.698   8.615   9.031
 1991    H    LEU 111           H        LEU 111  22.890   6.111   2.862
 1992    HA   LEU 111           HA       LEU 111  25.238   6.834   1.587
 1993   1HB   LEU 111          1HB       LEU 111  24.840   4.772   2.883
 1994   2HB   LEU 111          2HB       LEU 111  23.818   4.144   1.590
 1995    HG   LEU 111           HG       LEU 111  26.617   5.008   0.940
 1996   1HD1  LEU 111          1HD1      LEU 111  26.476   3.411   3.019
 1997   2HD1  LEU 111          2HD1      LEU 111  27.598   3.029   1.713
 1998   3HD1  LEU 111          3HD1      LEU 111  26.051   2.189   1.821
 1999   1HD2  LEU 111          1HD2      LEU 111  24.467   3.281  -0.180
 2000   2HD2  LEU 111          2HD2      LEU 111  26.128   2.754  -0.453
 2001   3HD2  LEU 111          3HD2      LEU 111  25.603   4.343  -1.012
 2002    H    SER 112           H        SER 112  25.953   7.002  -0.517
 2003    HA   SER 112           HA       SER 112  23.967   6.427  -2.690
 2004   1HB   SER 112          1HB       SER 112  26.199   8.469  -2.392
 2005   2HB   SER 112          2HB       SER 112  25.276   8.245  -3.878
 2006    HG   SER 112           HG       SER 112  23.376   8.627  -2.564
 2007    H    ARG 113           H        ARG 113  27.175   5.826  -1.475
 2008    HA   ARG 113           HA       ARG 113  28.636   5.055  -3.738
 2009   1HB   ARG 113          1HB       ARG 113  28.525   4.501  -0.852
 2010   2HB   ARG 113          2HB       ARG 113  29.227   3.171  -1.772
 2011   1HG   ARG 113          1HG       ARG 113  30.824   4.711  -2.822
 2012   2HG   ARG 113          2HG       ARG 113  30.095   6.072  -1.970
 2013   1HD   ARG 113          1HD       ARG 113  30.626   4.717   0.196
 2014   2HD   ARG 113          2HD       ARG 113  31.741   3.806  -0.841
 2015    HE   ARG 113           HE       ARG 113  32.064   6.587  -0.008
 2016   1HH1  ARG 113          1HH1      ARG 113  32.719   4.241  -2.496
 2017   2HH1  ARG 113          2HH1      ARG 113  34.105   5.091  -3.086
 2018   1HH2  ARG 113          1HH2      ARG 113  33.865   7.671  -0.790
 2019   2HH2  ARG 113          2HH2      ARG 113  34.751   7.020  -2.129
 2020    HA   PRO 114           HA       PRO 114  27.016   1.381  -5.495
 2021   1HB   PRO 114          1HB       PRO 114  28.942  -0.583  -4.864
 2022   2HB   PRO 114          2HB       PRO 114  28.965   0.475  -6.285
 2023   1HG   PRO 114          1HG       PRO 114  30.432   0.709  -3.718
 2024   2HG   PRO 114          2HG       PRO 114  30.926   1.182  -5.350
 2025   1HD   PRO 114          1HD       PRO 114  30.165   2.984  -3.501
 2026   2HD   PRO 114          2HD       PRO 114  29.830   3.209  -5.231
 2027    H    ARG 115           H        ARG 115  27.091  -1.301  -4.723
 2028    HA   ARG 115           HA       ARG 115  25.636  -1.183  -2.114
 2029   1HB   ARG 115          1HB       ARG 115  25.534  -3.126  -4.449
 2030   2HB   ARG 115          2HB       ARG 115  24.473  -3.168  -3.040
 2031   1HG   ARG 115          1HG       ARG 115  23.159  -1.949  -4.520
 2032   2HG   ARG 115          2HG       ARG 115  24.024  -0.645  -3.708
 2033   1HD   ARG 115          1HD       ARG 115  25.393  -0.226  -5.550
 2034   2HD   ARG 115          2HD       ARG 115  25.250  -1.886  -6.159
 2035    HE   ARG 115           HE       ARG 115  22.646  -0.781  -6.166
 2036   1HH1  ARG 115          1HH1      ARG 115  25.723  -0.231  -7.699
 2037   2HH1  ARG 115          2HH1      ARG 115  25.014   0.419  -9.136
 2038   1HH2  ARG 115          1HH2      ARG 115  21.750   0.066  -8.042
 2039   2HH2  ARG 115          2HH2      ARG 115  22.783   0.587  -9.331
 2040    H    LEU 116           H        LEU 116  28.469  -1.377  -2.001
 2041    HA   LEU 116           HA       LEU 116  30.193  -2.725  -1.112
 2042   1HB   LEU 116          1HB       LEU 116  27.565  -3.509   0.081
 2043   2HB   LEU 116          2HB       LEU 116  28.950  -4.535   0.451
 2044    HG   LEU 116           HG       LEU 116  28.695  -2.741   2.133
 2045   1HD1  LEU 116          1HD1      LEU 116  30.958  -2.333   2.277
 2046   2HD1  LEU 116          2HD1      LEU 116  31.089  -1.873   0.579
 2047   3HD1  LEU 116          3HD1      LEU 116  30.992  -3.576   1.027
 2048   1HD2  LEU 116          1HD2      LEU 116  27.646  -1.118   0.501
 2049   2HD2  LEU 116          2HD2      LEU 116  29.259  -0.832  -0.152
 2050   3HD2  LEU 116          3HD2      LEU 116  28.898  -0.415   1.524
 2051    H    THR 117           H        THR 117  30.998  -3.785  -2.998
 2052    HA   THR 117           HA       THR 117  29.691  -6.285  -3.901
 2053    HB   THR 117           HB       THR 117  32.305  -5.138  -4.882
 2054    HG1  THR 117           HG1      THR 117  31.240  -3.341  -5.131
 2055   1HG2  THR 117          1HG2      THR 117  29.988  -6.222  -6.482
 2056   2HG2  THR 117          2HG2      THR 117  31.157  -7.306  -5.726
 2057   3HG2  THR 117          3HG2      THR 117  31.691  -6.136  -6.934
 2058    H    GLN 118           H        GLN 118  30.333  -8.252  -3.123
 2059    HA   GLN 118           HA       GLN 118  31.610  -9.871  -1.971
 2060   1HB   GLN 118          1HB       GLN 118  33.328  -8.279  -3.759
 2061   2HB   GLN 118          2HB       GLN 118  34.222  -9.092  -2.474
 2062   1HG   GLN 118          1HG       GLN 118  33.323 -11.240  -3.113
 2063   2HG   GLN 118          2HG       GLN 118  32.202 -10.490  -4.249
 2064   1HE2  GLN 118          1HE2      GLN 118  33.239  -9.322  -6.149
 2065   2HE2  GLN 118          2HE2      GLN 118  34.733  -9.884  -6.727
 2066    H    ASN 119           H        ASN 119  30.772  -8.634   0.039
 2067    HA   ASN 119           HA       ASN 119  32.664  -6.877   1.415
 2068   1HB   ASN 119          1HB       ASN 119  30.136  -6.822   1.547
 2069   2HB   ASN 119          2HB       ASN 119  30.205  -8.344   2.436
 2070   1HD2  ASN 119          1HD2      ASN 119  30.948  -4.883   2.629
 2071   2HD2  ASN 119          2HD2      ASN 119  31.242  -4.860   4.300
 2072   1H    GLY 201          1H        GLY 201  24.872  34.869  13.302
 2073   2H    GLY 201          2H        GLY 201  26.339  35.461  13.920
 2074   3H    GLY 201          3H        GLY 201  25.059  35.096  14.975
 2075   1HA   GLY 201          1HA       GLY 201  26.598  33.153  13.339
 2076   2HA   GLY 201          2HA       GLY 201  26.697  33.355  15.088
 2077    H    LYS 202           H        LYS 202  25.371  32.073  16.285
 2078    HA   LYS 202           HA       LYS 202  23.676  30.506  16.788
 2079   1HB   LYS 202          1HB       LYS 202  22.602  32.848  15.827
 2080   2HB   LYS 202          2HB       LYS 202  21.878  31.664  14.739
 2081   1HG   LYS 202          1HG       LYS 202  20.959  30.419  16.588
 2082   2HG   LYS 202          2HG       LYS 202  21.863  31.383  17.756
 2083   1HD   LYS 202          1HD       LYS 202  20.285  33.094  16.027
 2084   2HD   LYS 202          2HD       LYS 202  19.262  31.886  16.805
 2085   1HE   LYS 202          1HE       LYS 202  19.499  32.870  18.846
 2086   2HE   LYS 202          2HE       LYS 202  21.248  33.071  18.629
 2087   1HZ   LYS 202          1HZ       LYS 202  19.063  34.764  17.544
 2088   2HZ   LYS 202          2HZ       LYS 202  20.652  34.838  16.951
 2089   3HZ   LYS 202          3HZ       LYS 202  20.331  35.236  18.570
 2090    H    ALA 203           H        ALA 203  22.054  28.923  15.592
 2091    HA   ALA 203           HA       ALA 203  21.879  27.088  14.114
 2092   1HB   ALA 203          1HB       ALA 203  21.459  27.924  12.026
 2093   2HB   ALA 203          2HB       ALA 203  23.072  28.623  11.889
 2094   3HB   ALA 203          3HB       ALA 203  21.805  29.492  12.754
 2095    HA   PRO 204           HA       PRO 204  26.543  26.529  14.573
 2096   1HB   PRO 204          1HB       PRO 204  25.597  24.035  15.891
 2097   2HB   PRO 204          2HB       PRO 204  26.828  25.191  16.430
 2098   1HG   PRO 204          1HG       PRO 204  24.404  25.024  17.578
 2099   2HG   PRO 204          2HG       PRO 204  25.294  26.547  17.449
 2100   1HD   PRO 204          1HD       PRO 204  22.940  25.594  15.905
 2101   2HD   PRO 204          2HD       PRO 204  23.394  27.244  16.380
 2102    H    ARG 205           H        ARG 205  26.458  26.173  12.243
 2103    HA   ARG 205           HA       ARG 205  26.535  24.840  10.293
 2104   1HB   ARG 205          1HB       ARG 205  27.448  23.227  12.631
 2105   2HB   ARG 205          2HB       ARG 205  27.136  22.336  11.141
 2106   1HG   ARG 205          1HG       ARG 205  29.470  23.043  11.168
 2107   2HG   ARG 205          2HG       ARG 205  28.611  23.950   9.924
 2108   1HD   ARG 205          1HD       ARG 205  28.911  25.937  11.015
 2109   2HD   ARG 205          2HD       ARG 205  28.580  25.215  12.601
 2110    HE   ARG 205           HE       ARG 205  31.046  24.160  11.623
 2111   1HH1  ARG 205          1HH1      ARG 205  29.667  27.143  12.771
 2112   2HH1  ARG 205          2HH1      ARG 205  31.175  27.735  13.375
 2113   1HH2  ARG 205          1HH2      ARG 205  32.992  24.951  12.415
 2114   2HH2  ARG 205          2HH2      ARG 205  33.045  26.506  13.176
 2115    H    LYS 206           H        LYS 206  23.957  25.285  10.750
 2116    HA   LYS 206           HA       LYS 206  22.649  22.585  10.634
 2117   1HB   LYS 206          1HB       LYS 206  22.356  24.490  12.576
 2118   2HB   LYS 206          2HB       LYS 206  21.072  24.961  11.462
 2119   1HG   LYS 206          1HG       LYS 206  19.811  23.161  12.001
 2120   2HG   LYS 206          2HG       LYS 206  21.189  22.066  11.883
 2121   1HD   LYS 206          1HD       LYS 206  20.596  21.967  14.167
 2122   2HD   LYS 206          2HD       LYS 206  21.940  23.108  14.138
 2123   1HE   LYS 206          1HE       LYS 206  20.451  24.406  15.339
 2124   2HE   LYS 206          2HE       LYS 206  19.856  24.814  13.718
 2125   1HZ   LYS 206          1HZ       LYS 206  18.325  22.958  13.837
 2126   2HZ   LYS 206          2HZ       LYS 206  18.070  23.984  15.166
 2127   3HZ   LYS 206          3HZ       LYS 206  18.913  22.524  15.371
 2128    H    GLN 207           H        GLN 207  23.440  23.375   8.231
 2129    HA   GLN 207           HA       GLN 207  20.985  23.936   6.787
 2130   1HB   GLN 207          1HB       GLN 207  21.702  26.171   7.750
 2131   2HB   GLN 207          2HB       GLN 207  23.162  26.055   6.769
 2132   1HG   GLN 207          1HG       GLN 207  21.801  27.246   5.319
 2133   2HG   GLN 207          2HG       GLN 207  21.403  25.600   4.826
 2134   1HE2  GLN 207          1HE2      GLN 207  20.158  28.485   6.387
 2135   2HE2  GLN 207          2HE2      GLN 207  18.579  27.909   6.625
 2136    H    LEU 208           H        LEU 208  21.670  22.031   5.638
 2137    HA   LEU 208           HA       LEU 208  24.042  22.455   3.849
 2138   1HB   LEU 208          1HB       LEU 208  24.042  20.679   5.769
 2139   2HB   LEU 208          2HB       LEU 208  22.948  19.775   4.721
 2140    HG   LEU 208           HG       LEU 208  24.817  20.337   2.901
 2141   1HD1  LEU 208          1HD1      LEU 208  27.016  20.499   3.783
 2142   2HD1  LEU 208          2HD1      LEU 208  26.480  20.076   5.409
 2143   3HD1  LEU 208          3HD1      LEU 208  26.072  21.651   4.728
 2144   1HD2  LEU 208          1HD2      LEU 208  24.291  18.077   3.274
 2145   2HD2  LEU 208          2HD2      LEU 208  24.728  18.161   4.980
 2146   3HD2  LEU 208          3HD2      LEU 208  25.988  18.163   3.746
 2147    H    ALA 209           H        ALA 209  20.811  20.977   4.161
 2148    HA   ALA 209           HA       ALA 209  20.301  21.511   1.300
 2149   1HB   ALA 209          1HB       ALA 209  20.963  18.880   2.495
 2150   2HB   ALA 209          2HB       ALA 209  21.099  19.414   0.819
 2151   3HB   ALA 209          3HB       ALA 209  19.542  18.876   1.450
 2152    H    THR 210           H        THR 210  17.968  20.879   0.771
 2153    HA   THR 210           HA       THR 210  16.250  20.996   3.229
 2154    HB   THR 210           HB       THR 210  14.787  22.486   1.777
 2155    HG1  THR 210           HG1      THR 210  15.497  23.071  -0.153
 2156   1HG2  THR 210          1HG2      THR 210  17.630  23.309   2.418
 2157   2HG2  THR 210          2HG2      THR 210  16.196  23.538   3.418
 2158   3HG2  THR 210          3HG2      THR 210  16.384  24.454   1.923
 2159    H    LYS 211           H        LYS 211  16.401  20.120  -0.229
 2160    HA   LYS 211           HA       LYS 211  14.155  18.191   0.250
 2161   1HB   LYS 211          1HB       LYS 211  13.786  18.473  -2.206
 2162   2HB   LYS 211          2HB       LYS 211  13.699  20.014  -1.351
 2163   1HG   LYS 211          1HG       LYS 211  15.538  20.825  -2.402
 2164   2HG   LYS 211          2HG       LYS 211  16.419  19.309  -2.210
 2165   1HD   LYS 211          1HD       LYS 211  15.464  18.374  -4.163
 2166   2HD   LYS 211          2HD       LYS 211  14.167  19.568  -4.203
 2167   1HE   LYS 211          1HE       LYS 211  15.765  21.338  -4.776
 2168   2HE   LYS 211          2HE       LYS 211  17.112  20.192  -4.642
 2169   1HZ   LYS 211          1HZ       LYS 211  14.787  19.955  -6.487
 2170   2HZ   LYS 211          2HZ       LYS 211  16.040  18.819  -6.338
 2171   3HZ   LYS 211          3HZ       LYS 211  16.369  20.372  -6.940
 2172    H    ALA 212           H        ALA 212  14.336  16.170  -1.105
 2173    HA   ALA 212           HA       ALA 212  17.204  15.380  -1.505
 2174   1HB   ALA 212          1HB       ALA 212  16.821  13.636  -0.091
 2175   2HB   ALA 212          2HB       ALA 212  15.305  13.233  -0.895
 2176   3HB   ALA 212          3HB       ALA 212  15.334  14.468   0.363
 2177    H    ALA 213           H        ALA 213  16.894  12.980  -2.727
 2178    HA   ALA 213           HA       ALA 213  15.315  13.637  -5.192
 2179   1HB   ALA 213          1HB       ALA 213  17.245  11.729  -5.829
 2180   2HB   ALA 213          2HB       ALA 213  18.050  12.732  -4.622
 2181   3HB   ALA 213          3HB       ALA 213  17.403  13.467  -6.089
 2182    H    ARG 214           H        ARG 214  14.444  12.132  -2.714
 2183    HA   ARG 214           HA       ARG 214  13.321  10.125  -2.170
 2184   1HB   ARG 214          1HB       ARG 214  12.768  10.985  -4.926
 2185   2HB   ARG 214          2HB       ARG 214  12.429   9.275  -4.659
 2186   1HG   ARG 214          1HG       ARG 214  10.421  10.490  -4.110
 2187   2HG   ARG 214          2HG       ARG 214  11.136   9.958  -2.589
 2188   1HD   ARG 214          1HD       ARG 214  10.473  12.314  -2.386
 2189   2HD   ARG 214          2HD       ARG 214  12.244  12.220  -2.400
 2190    HE   ARG 214           HE       ARG 214  11.231  12.425  -5.092
 2191   1HH1  ARG 214          1HH1      ARG 214  11.782  14.277  -2.196
 2192   2HH1  ARG 214          2HH1      ARG 214  11.964  15.768  -3.052
 2193   1HH2  ARG 214          1HH2      ARG 214  11.470  14.374  -6.181
 2194   2HH2  ARG 214          2HH2      ARG 214  11.789  15.825  -5.291
 2195   1HN   MLZ 215          1HN       MLZ 215  12.997   7.748  -3.584
 2196    HA   MLZ 215           HA       MLZ 215  15.652   6.539  -3.300
 2197   1HB   MLZ 215          1HB       MLZ 215  12.806   5.732  -3.666
 2198   2HB   MLZ 215          2HB       MLZ 215  14.016   4.581  -4.232
 2199   1HG   MLZ 215          1HG       MLZ 215  14.264   5.835  -1.505
 2200   2HG   MLZ 215          2HG       MLZ 215  14.949   4.319  -2.092
 2201   1HD   MLZ 215          1HD       MLZ 215  12.015   4.881  -1.565
 2202   2HD   MLZ 215          2HD       MLZ 215  12.640   3.387  -2.262
 2203   1HE   MLZ 215          1HE       MLZ 215  13.894   4.288   0.292
 2204   2HE   MLZ 215          2HE       MLZ 215  13.478   2.650  -0.248
 2205    HZ   MLZ 215           HZ       MLZ 215  11.220   3.006   0.201
 2206   1HCM  MLZ 215          1HCM      MLZ 215  11.256   3.104   2.437
 2207   2HCM  MLZ 215          2HCM      MLZ 215  12.145   4.627   2.430
 2208   3HCM  MLZ 215          3HCM      MLZ 215  12.998   3.107   2.165
 2209    H    SER 216           H        SER 216  17.067   6.257  -4.976
 2210    HA   SER 216           HA       SER 216  17.888   6.021  -7.176
 2211   1HB   SER 216          1HB       SER 216  16.747   8.402  -6.899
 2212   2HB   SER 216          2HB       SER 216  17.281   7.860  -8.489
 2213    HG   SER 216           HG       SER 216  14.997   8.692  -8.120
 2214    H    ALA 217           H        ALA 217  16.757   5.801  -9.626
 2215    HA   ALA 217           HA       ALA 217  14.808   3.540  -9.319
 2216   1HB   ALA 217          1HB       ALA 217  14.394   6.038 -10.456
 2217   2HB   ALA 217          2HB       ALA 217  13.436   4.599 -10.805
 2218   3HB   ALA 217          3HB       ALA 217  14.783   5.037 -11.855
 2219    HA   PRO 218           HA       PRO 218  17.876   1.274 -11.545
 2220   1HB   PRO 218          1HB       PRO 218  16.299  -0.773 -12.486
 2221   2HB   PRO 218          2HB       PRO 218  16.829  -0.655 -10.798
 2222   1HG   PRO 218          1HG       PRO 218  14.214   0.086 -12.017
 2223   2HG   PRO 218          2HG       PRO 218  14.551  -0.716 -10.476
 2224   1HD   PRO 218          1HD       PRO 218  13.926   1.918 -10.680
 2225   2HD   PRO 218          2HD       PRO 218  14.962   1.265  -9.396
 2226    H    ALA 219           H        ALA 219  17.500  -0.161 -13.905
 2227    HA   ALA 219           HA       ALA 219  16.689   1.991 -15.832
 2228   1HB   ALA 219          1HB       ALA 219  18.586  -0.213 -16.544
 2229   2HB   ALA 219          2HB       ALA 219  19.158   1.011 -15.411
 2230   3HB   ALA 219          3HB       ALA 219  18.617   1.485 -17.021
 2231    H    THR 220           H        THR 220  14.657   1.354 -16.539
 2232    HA   THR 220           HA       THR 220  14.469  -1.212 -17.991
 2233    HB   THR 220           HB       THR 220  13.930  -1.759 -15.644
 2234    HG1  THR 220           HG1      THR 220  12.397  -2.962 -16.378
 2235   1HG2  THR 220          1HG2      THR 220  13.017  -0.117 -14.394
 2236   2HG2  THR 220          2HG2      THR 220  11.488  -0.452 -15.207
 2237   3HG2  THR 220          3HG2      THR 220  12.563   0.799 -15.831
 2238    H    GLY 221           H        GLY 221  11.600  -1.151 -18.158
 2239   1HA   GLY 221          1HA       GLY 221  11.246   0.791 -20.245
 2240   2HA   GLY 221          2HA       GLY 221   9.959  -0.176 -19.526
 2241   1HN   SAH 301          1HN       SAH 301 -10.942  -0.551  -8.146
 2242   2HN   SAH 301          2HN       SAH 301  -9.951   0.087  -9.374
 2243    HA   SAH 301           HA       SAH 301 -10.410   2.362  -8.273
 2244   1HB   SAH 301          1HB       SAH 301 -11.562   0.283  -6.490
 2245   2HB   SAH 301          2HB       SAH 301 -10.639   1.548  -5.685
 2246   1HG   SAH 301          1HG       SAH 301 -13.299   1.690  -6.755
 2247   2HG   SAH 301          2HG       SAH 301 -12.273   2.803  -7.659
 2248   1H5*  SAH 301          1H5*      SAH 301 -14.680   2.649  -5.502
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.491   3.859  -4.233
 2250    H4*  SAH 301           H4*      SAH 301 -13.895   5.401  -6.220
 2251    H3*  SAH 301           H3*      SAH 301 -16.299   4.704  -4.778
 2252   *HO3  SAH 301          *HO3      SAH 301 -14.969   6.734  -4.977
 2253    H2*  SAH 301           H2*      SAH 301 -17.786   4.373  -6.417
 2254   *HO2  SAH 301          *HO2      SAH 301 -17.609   6.129  -8.225
 2255    H1*  SAH 301           H1*      SAH 301 -16.239   4.831  -8.797
 2256    H8   SAH 301           H8       SAH 301 -15.541   1.519  -7.262
 2257   1HN6  SAH 301          1HN6      SAH 301 -21.091  -0.498  -8.959
 2258   2HN6  SAH 301          2HN6      SAH 301 -19.672  -0.874  -8.008
 2259    H2   SAH 301           H2       SAH 301 -20.860   3.897  -9.904
 2260   1HN   SAH 302          1HN       SAH 302  11.187  -0.601   8.194
 2261   2HN   SAH 302          2HN       SAH 302  10.239   0.034   9.452
 2262    HA   SAH 302           HA       SAH 302  10.690   2.309   8.349
 2263   1HB   SAH 302          1HB       SAH 302  11.771   0.225   6.527
 2264   2HB   SAH 302          2HB       SAH 302  10.835   1.500   5.749
 2265   1HG   SAH 302          1HG       SAH 302  13.525   1.618   6.746
 2266   2HG   SAH 302          2HG       SAH 302  12.533   2.737   7.680
 2267   1H5*  SAH 302          1H5*      SAH 302  14.879   2.572   5.459
 2268   2H5*  SAH 302          2H5*      SAH 302  14.664   3.787   4.198
 2269    H4*  SAH 302           H4*      SAH 302  14.134   5.328   6.205
 2270    H3*  SAH 302           H3*      SAH 302  16.492   4.617   4.696
 2271   *HO3  SAH 302          *HO3      SAH 302  15.183   6.655   4.936
 2272    H2*  SAH 302           H2*      SAH 302  18.021   4.271   6.292
 2273   *HO2  SAH 302          *HO2      SAH 302  17.907   6.022   8.110
 2274    H1*  SAH 302           H1*      SAH 302  16.543   4.733   8.716
 2275    H8   SAH 302           H8       SAH 302  15.780   1.431   7.191
 2276   1HN6  SAH 302          1HN6      SAH 302  21.360  -0.631   8.729
 2277   2HN6  SAH 302          2HN6      SAH 302  19.912  -0.994   7.816
 2278    H2   SAH 302           H2       SAH 302  21.186   3.763   9.693
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1   0.065 -11.709  -7.510
    2   2H    MET   1          2H        MET   1   0.548 -12.540  -6.110
    3   3H    MET   1          3H        MET   1   1.160 -10.988  -6.430
    4    HA   MET   1           HA       MET   1  -0.468 -10.590  -4.822
    5   1HB   MET   1          1HB       MET   1  -1.007 -10.073  -7.686
    6   2HB   MET   1          2HB       MET   1  -2.404  -9.870  -6.638
    7   1HG   MET   1          1HG       MET   1  -0.597  -8.592  -5.141
    8   2HG   MET   1          2HG       MET   1   0.110  -8.320  -6.728
    9   1HE   MET   1          1HE       MET   1  -2.944  -7.358  -4.316
   10   2HE   MET   1          2HE       MET   1  -2.612  -5.696  -4.805
   11   3HE   MET   1          3HE       MET   1  -1.289  -6.750  -4.303
   12    H    PHE   2           H        PHE   2  -2.121 -12.378  -7.461
   13    HA   PHE   2           HA       PHE   2  -4.391 -13.182  -5.983
   14   1HB   PHE   2          1HB       PHE   2  -4.580 -14.877  -7.781
   15   2HB   PHE   2          2HB       PHE   2  -4.065 -13.326  -8.443
   16    HD1  PHE   2           HD1      PHE   2  -1.873 -13.029  -9.394
   17    HD2  PHE   2           HD2      PHE   2  -2.930 -16.713  -7.454
   18    HE1  PHE   2           HE1      PHE   2   0.173 -14.096 -10.304
   19    HE2  PHE   2           HE2      PHE   2  -0.885 -17.780  -8.365
   20    HZ   PHE   2           HZ       PHE   2   0.666 -16.471  -9.790
   21    H    ASN   3           H        ASN   3  -4.791 -14.909  -4.598
   22    HA   ASN   3           HA       ASN   3  -2.521 -16.784  -4.037
   23   1HB   ASN   3          1HB       ASN   3  -3.174 -16.530  -1.624
   24   2HB   ASN   3          2HB       ASN   3  -2.618 -15.017  -2.338
   25   1HD2  ASN   3          1HD2      ASN   3  -4.212 -14.703  -0.130
   26   2HD2  ASN   3          2HD2      ASN   3  -5.778 -14.215  -0.566
   27    H    ASP   4           H        ASP   4  -3.308 -18.803  -2.930
   28    HA   ASP   4           HA       ASP   4  -5.345 -20.149  -4.287
   29   1HB   ASP   4          1HB       ASP   4  -3.548 -21.042  -2.741
   30   2HB   ASP   4          2HB       ASP   4  -4.545 -20.527  -1.380
   31    H    ARG   5           H        ARG   5  -5.658 -17.876  -1.641
   32    HA   ARG   5           HA       ARG   5  -8.363 -18.669  -0.892
   33   1HB   ARG   5          1HB       ARG   5  -6.658 -16.201  -0.396
   34   2HB   ARG   5          2HB       ARG   5  -8.187 -16.529   0.419
   35   1HG   ARG   5          1HG       ARG   5  -6.089 -18.661   0.450
   36   2HG   ARG   5          2HG       ARG   5  -5.869 -17.264   1.504
   37   1HD   ARG   5          1HD       ARG   5  -8.608 -18.356   1.560
   38   2HD   ARG   5          2HD       ARG   5  -7.372 -19.476   2.164
   39    HE   ARG   5           HE       ARG   5  -8.146 -16.952   3.410
   40   1HH1  ARG   5          1HH1      ARG   5  -5.551 -19.214   2.894
   41   2HH1  ARG   5          2HH1      ARG   5  -4.706 -18.740   4.326
   42   1HH2  ARG   5          1HH2      ARG   5  -7.031 -16.354   5.265
   43   2HH2  ARG   5          2HH2      ARG   5  -5.536 -17.133   5.661
   44    H    VAL   6           H        VAL   6  -6.960 -15.989  -2.811
   45    HA   VAL   6           HA       VAL   6  -9.511 -15.762  -4.305
   46    HB   VAL   6           HB       VAL   6  -9.627 -13.325  -3.724
   47   1HG1  VAL   6          1HG1      VAL   6 -10.812 -15.191  -2.419
   48   2HG1  VAL   6          2HG1      VAL   6 -10.625 -13.648  -1.585
   49   3HG1  VAL   6          3HG1      VAL   6  -9.550 -14.993  -1.203
   50   1HG2  VAL   6          1HG2      VAL   6  -7.558 -13.978  -1.614
   51   2HG2  VAL   6          2HG2      VAL   6  -8.209 -12.394  -2.036
   52   3HG2  VAL   6          3HG2      VAL   6  -7.137 -13.234  -3.157
   53    H    ILE   7           H        ILE   7  -9.097 -13.543  -5.754
   54    HA   ILE   7           HA       ILE   7  -6.283 -13.519  -6.724
   55    HB   ILE   7           HB       ILE   7  -7.530 -15.296  -7.942
   56   1HG1  ILE   7          1HG1      ILE   7  -7.374 -13.163  -9.998
   57   2HG1  ILE   7          2HG1      ILE   7  -5.922 -13.396  -9.024
   58   1HG2  ILE   7          1HG2      ILE   7  -9.711 -13.751  -7.638
   59   2HG2  ILE   7          2HG2      ILE   7  -9.587 -14.967  -8.909
   60   3HG2  ILE   7          3HG2      ILE   7  -9.259 -13.272  -9.274
   61   1HD1  ILE   7          1HD1      ILE   7  -6.517 -14.870 -11.245
   62   2HD1  ILE   7          2HD1      ILE   7  -7.201 -15.888  -9.977
   63   3HD1  ILE   7          3HD1      ILE   7  -5.494 -15.446  -9.929
   64    H    VAL   8           H        VAL   8  -5.731 -11.495  -7.625
   65    HA   VAL   8           HA       VAL   8  -7.690  -9.333  -7.174
   66    HB   VAL   8           HB       VAL   8  -4.771  -9.395  -8.025
   67   1HG1  VAL   8          1HG1      VAL   8  -4.789  -6.990  -7.416
   68   2HG1  VAL   8          2HG1      VAL   8  -6.527  -7.085  -7.133
   69   3HG1  VAL   8          3HG1      VAL   8  -5.884  -7.325  -8.758
   70   1HG2  VAL   8          1HG2      VAL   8  -4.391  -9.811  -5.844
   71   2HG2  VAL   8          2HG2      VAL   8  -6.116  -9.727  -5.490
   72   3HG2  VAL   8          3HG2      VAL   8  -5.138  -8.260  -5.461
   73    H    LYS   9           H        LYS   9  -9.019  -8.725  -8.805
   74    HA   LYS   9           HA       LYS   9  -7.995  -8.872 -11.616
   75   1HB   LYS   9          1HB       LYS   9 -10.779  -9.250 -10.466
   76   2HB   LYS   9          2HB       LYS   9 -10.410  -9.257 -12.188
   77   1HG   LYS   9          1HG       LYS   9  -8.591 -11.062 -11.344
   78   2HG   LYS   9          2HG       LYS   9  -9.829 -11.311 -10.116
   79   1HD   LYS   9          1HD       LYS   9 -11.345 -12.143 -11.615
   80   2HD   LYS   9          2HD       LYS   9 -10.778 -11.104 -12.916
   81   1HE   LYS   9          1HE       LYS   9  -8.584 -12.707 -12.491
   82   2HE   LYS   9          2HE       LYS   9  -9.934 -13.816 -12.206
   83   1HZ   LYS   9          1HZ       LYS   9 -10.954 -12.825 -14.271
   84   2HZ   LYS   9          2HZ       LYS   9  -9.593 -13.807 -14.532
   85   3HZ   LYS   9          3HZ       LYS   9  -9.444 -12.116 -14.585
   86    H    LYS  10           H        LYS  10  -9.076  -5.475 -12.164
   87    HA   LYS  10           HA       LYS  10  -8.133  -6.302 -14.122
   88   1HB   LYS  10          1HB       LYS  10  -6.705  -7.338 -11.787
   89   2HB   LYS  10          2HB       LYS  10  -6.448  -8.314 -13.236
   90   1HG   LYS  10          1HG       LYS  10  -4.783  -6.543 -13.170
   91   2HG   LYS  10          2HG       LYS  10  -5.902  -6.217 -14.488
   92   1HD   LYS  10          1HD       LYS  10  -6.890  -5.055 -12.033
   93   2HD   LYS  10          2HD       LYS  10  -5.244  -4.502 -12.342
   94   1HE   LYS  10          1HE       LYS  10  -7.194  -4.532 -14.628
   95   2HE   LYS  10          2HE       LYS  10  -7.285  -3.218 -13.439
   96   1HZ   LYS  10          1HZ       LYS  10  -4.739  -4.105 -14.683
   97   2HZ   LYS  10          2HZ       LYS  10  -5.017  -2.694 -13.781
   98   3HZ   LYS  10          3HZ       LYS  10  -5.684  -2.853 -15.334
   99    H    SER  11           H        SER  11 -10.393  -7.199 -14.502
  100    HA   SER  11           HA       SER  11 -10.370 -10.196 -14.586
  101   1HB   SER  11          1HB       SER  11 -12.169  -8.399 -13.489
  102   2HB   SER  11          2HB       SER  11 -12.891  -8.734 -15.062
  103    HG   SER  11           HG       SER  11 -13.609 -10.411 -14.008
  104    HA   PRO  12           HA       PRO  12 -10.841  -9.967 -18.966
  105   1HB   PRO  12          1HB       PRO  12 -12.959 -11.577 -19.604
  106   2HB   PRO  12          2HB       PRO  12 -11.438 -12.212 -18.952
  107   1HG   PRO  12          1HG       PRO  12 -14.058 -11.862 -17.641
  108   2HG   PRO  12          2HG       PRO  12 -12.770 -13.021 -17.298
  109   1HD   PRO  12          1HD       PRO  12 -13.347 -10.652 -15.885
  110   2HD   PRO  12          2HD       PRO  12 -11.927 -11.694 -15.677
  111    H    LEU  13           H        LEU  13 -13.070  -8.332 -17.179
  112    HA   LEU  13           HA       LEU  13 -14.523  -7.352 -19.615
  113   1HB   LEU  13          1HB       LEU  13 -15.443  -7.585 -16.724
  114   2HB   LEU  13          2HB       LEU  13 -16.421  -6.968 -18.057
  115    HG   LEU  13           HG       LEU  13 -15.184  -9.731 -18.080
  116   1HD1  LEU  13          1HD1      LEU  13 -17.379 -10.583 -17.389
  117   2HD1  LEU  13          2HD1      LEU  13 -17.994  -8.935 -17.259
  118   3HD1  LEU  13          3HD1      LEU  13 -16.739  -9.497 -16.155
  119   1HD2  LEU  13          1HD2      LEU  13 -17.348  -9.888 -19.645
  120   2HD2  LEU  13          2HD2      LEU  13 -15.801  -9.309 -20.264
  121   3HD2  LEU  13          3HD2      LEU  13 -17.051  -8.156 -19.798
  122    H    GLY  14           H        GLY  14 -13.270  -6.478 -16.386
  123   1HA   GLY  14          1HA       GLY  14 -11.816  -4.327 -16.603
  124   2HA   GLY  14          2HA       GLY  14 -13.307  -3.614 -17.221
  125    H    GLY  15           H        GLY  15 -11.830  -2.883 -14.775
  126   1HA   GLY  15          1HA       GLY  15 -13.075  -1.921 -12.853
  127   2HA   GLY  15          2HA       GLY  15 -14.018  -3.411 -12.807
  128    H    TYR  16           H        TYR  16 -11.668  -1.851 -11.171
  129    HA   TYR  16           HA       TYR  16  -9.932  -4.196 -10.639
  130   1HB   TYR  16          1HB       TYR  16  -9.558  -1.475 -10.761
  131   2HB   TYR  16          2HB       TYR  16  -9.709  -1.721  -9.022
  132    HD1  TYR  16           HD1      TYR  16  -8.504  -4.219  -8.420
  133    HD2  TYR  16           HD2      TYR  16  -7.324  -1.362 -11.403
  134    HE1  TYR  16           HE1      TYR  16  -6.186  -5.098  -8.345
  135    HE2  TYR  16           HE2      TYR  16  -5.007  -2.241 -11.328
  136    HH   TYR  16           HH       TYR  16  -4.200  -5.150  -9.573
  137    H    GLY  17           H        GLY  17 -11.010  -5.669  -9.348
  138   1HA   GLY  17          1HA       GLY  17 -11.805  -4.781  -6.645
  139   2HA   GLY  17          2HA       GLY  17 -13.036  -5.611  -7.599
  140    H    VAL  18           H        VAL  18 -12.714  -7.171  -5.617
  141    HA   VAL  18           HA       VAL  18 -10.342  -8.938  -6.085
  142    HB   VAL  18           HB       VAL  18 -12.302  -8.588  -3.790
  143   1HG1  VAL  18          1HG1      VAL  18  -9.997 -10.518  -4.178
  144   2HG1  VAL  18          2HG1      VAL  18 -11.670 -10.904  -3.777
  145   3HG1  VAL  18          3HG1      VAL  18 -10.639 -10.112  -2.586
  146   1HG2  VAL  18          1HG2      VAL  18 -10.107  -7.907  -2.646
  147   2HG2  VAL  18          2HG2      VAL  18 -10.768  -6.773  -3.823
  148   3HG2  VAL  18          3HG2      VAL  18  -9.420  -7.820  -4.268
  149    H    PHE  19           H        PHE  19 -10.650 -11.143  -6.516
  150    HA   PHE  19           HA       PHE  19 -13.449 -11.948  -7.227
  151   1HB   PHE  19          1HB       PHE  19 -10.771 -12.223  -8.423
  152   2HB   PHE  19          2HB       PHE  19 -11.681 -13.734  -8.403
  153    HD1  PHE  19           HD1      PHE  19 -12.148 -10.092  -9.179
  154    HD2  PHE  19           HD2      PHE  19 -13.188 -14.149 -10.136
  155    HE1  PHE  19           HE1      PHE  19 -13.497  -9.293 -11.100
  156    HE2  PHE  19           HE2      PHE  19 -14.537 -13.349 -12.058
  157    HZ   PHE  19           HZ       PHE  19 -14.687 -10.920 -12.541
  158    H    ALA  20           H        ALA  20 -14.312 -13.370  -5.768
  159    HA   ALA  20           HA       ALA  20 -12.547 -14.756  -3.856
  160   1HB   ALA  20          1HB       ALA  20 -15.200 -13.701  -3.983
  161   2HB   ALA  20          2HB       ALA  20 -14.378 -14.383  -2.579
  162   3HB   ALA  20          3HB       ALA  20 -15.335 -15.424  -3.632
  163    H    ARG  21           H        ARG  21 -11.555 -16.379  -5.224
  164    HA   ARG  21           HA       ARG  21 -12.935 -18.208  -6.922
  165   1HB   ARG  21          1HB       ARG  21 -10.349 -17.715  -5.989
  166   2HB   ARG  21          2HB       ARG  21 -10.711 -19.338  -5.399
  167   1HG   ARG  21          1HG       ARG  21  -9.844 -19.715  -7.560
  168   2HG   ARG  21          2HG       ARG  21 -11.585 -19.785  -7.801
  169   1HD   ARG  21          1HD       ARG  21 -10.941 -17.061  -8.065
  170   2HD   ARG  21          2HD       ARG  21  -9.665 -17.926  -8.943
  171    HE   ARG  21           HE       ARG  21 -12.499 -17.873  -9.655
  172   1HH1  ARG  21          1HH1      ARG  21  -9.540 -19.704  -9.769
  173   2HH1  ARG  21          2HH1      ARG  21 -10.025 -20.610 -11.159
  174   1HH2  ARG  21          1HH2      ARG  21 -13.106 -19.062 -11.460
  175   2HH2  ARG  21          2HH2      ARG  21 -12.029 -20.251 -12.111
  176    H    LYS  22           H        LYS  22 -12.701 -17.959  -3.451
  177    HA   LYS  22           HA       LYS  22 -13.847 -20.669  -3.020
  178   1HB   LYS  22          1HB       LYS  22 -13.004 -18.459  -1.097
  179   2HB   LYS  22          2HB       LYS  22 -13.317 -20.138  -0.671
  180   1HG   LYS  22          1HG       LYS  22 -11.478 -20.741  -2.363
  181   2HG   LYS  22          2HG       LYS  22 -11.044 -19.032  -2.317
  182   1HD   LYS  22          1HD       LYS  22  -9.706 -20.326  -0.695
  183   2HD   LYS  22          2HD       LYS  22 -10.753 -19.174   0.132
  184   1HE   LYS  22          1HE       LYS  22 -11.959 -20.833   1.137
  185   2HE   LYS  22          2HE       LYS  22 -11.994 -21.817  -0.338
  186   1HZ   LYS  22          1HZ       LYS  22 -10.586 -22.916   1.228
  187   2HZ   LYS  22          2HZ       LYS  22  -9.729 -21.489   1.561
  188   3HZ   LYS  22          3HZ       LYS  22  -9.578 -22.235   0.043
  189    H    SER  23           H        SER  23 -16.947 -19.343  -1.485
  190    HA   SER  23           HA       SER  23 -14.730 -21.338  -1.254
  191   1HB   SER  23          1HB       SER  23 -17.109 -21.978  -1.892
  192   2HB   SER  23          2HB       SER  23 -16.490 -22.806  -0.463
  193    HG   SER  23           HG       SER  23 -17.840 -21.743   0.764
  194    H    PHE  24           H        PHE  24 -16.520 -18.870   0.453
  195    HA   PHE  24           HA       PHE  24 -14.874 -19.433   2.894
  196   1HB   PHE  24          1HB       PHE  24 -15.920 -16.971   1.499
  197   2HB   PHE  24          2HB       PHE  24 -15.501 -16.891   3.210
  198    HD1  PHE  24           HD1      PHE  24 -14.224 -16.001   0.228
  199    HD2  PHE  24           HD2      PHE  24 -13.181 -18.540   3.532
  200    HE1  PHE  24           HE1      PHE  24 -11.826 -15.791  -0.367
  201    HE2  PHE  24           HE2      PHE  24 -10.782 -18.330   2.936
  202    HZ   PHE  24           HZ       PHE  24 -10.106 -16.955   0.986
  203    H    GLU  25           H        GLU  25 -15.930 -18.953   4.978
  204    HA   GLU  25           HA       GLU  25 -18.787 -19.730   4.969
  205   1HB   GLU  25          1HB       GLU  25 -16.477 -20.109   6.594
  206   2HB   GLU  25          2HB       GLU  25 -17.641 -19.210   7.567
  207   1HG   GLU  25          1HG       GLU  25 -19.383 -20.922   6.820
  208   2HG   GLU  25          2HG       GLU  25 -18.039 -21.878   6.196
  209    H    LYS  26           H        LYS  26 -19.480 -18.439   7.428
  210    HA   LYS  26           HA       LYS  26 -19.913 -15.674   6.416
  211   1HB   LYS  26          1HB       LYS  26 -21.775 -17.238   7.115
  212   2HB   LYS  26          2HB       LYS  26 -21.146 -17.165   8.757
  213   1HG   LYS  26          1HG       LYS  26 -21.471 -14.726   8.790
  214   2HG   LYS  26          2HG       LYS  26 -22.070 -14.777   7.132
  215   1HD   LYS  26          1HD       LYS  26 -24.027 -15.953   7.756
  216   2HD   LYS  26          2HD       LYS  26 -23.347 -16.432   9.310
  217   1HE   LYS  26          1HE       LYS  26 -23.644 -14.283  10.239
  218   2HE   LYS  26          2HE       LYS  26 -23.757 -13.512   8.646
  219   1HZ   LYS  26          1HZ       LYS  26 -25.670 -15.607   9.488
  220   2HZ   LYS  26          2HZ       LYS  26 -25.847 -14.444   8.263
  221   3HZ   LYS  26          3HZ       LYS  26 -25.931 -13.978   9.894
  222    H    GLY  27           H        GLY  27 -17.535 -15.248   7.060
  223   1HA   GLY  27          1HA       GLY  27 -16.639 -13.564   8.648
  224   2HA   GLY  27          2HA       GLY  27 -17.469 -14.435   9.937
  225    H    GLU  28           H        GLU  28 -14.865 -14.787   7.525
  226    HA   GLU  28           HA       GLU  28 -13.421 -16.504   9.506
  227   1HB   GLU  28          1HB       GLU  28 -14.059 -17.012   6.588
  228   2HB   GLU  28          2HB       GLU  28 -12.754 -17.864   7.413
  229   1HG   GLU  28          1HG       GLU  28 -15.295 -17.823   8.904
  230   2HG   GLU  28          2HG       GLU  28 -15.372 -18.694   7.373
  231    H    LEU  29           H        LEU  29 -13.259 -13.638   8.222
  232    HA   LEU  29           HA       LEU  29 -11.530 -12.153   7.650
  233   1HB   LEU  29          1HB       LEU  29 -10.590 -13.458   9.643
  234   2HB   LEU  29          2HB       LEU  29  -9.732 -14.448   8.467
  235    HG   LEU  29           HG       LEU  29  -8.791 -12.272   7.518
  236   1HD1  LEU  29          1HD1      LEU  29 -10.680 -11.091   9.085
  237   2HD1  LEU  29          2HD1      LEU  29  -9.226 -10.266   8.522
  238   3HD1  LEU  29          3HD1      LEU  29  -9.270 -10.973  10.137
  239   1HD2  LEU  29          1HD2      LEU  29  -8.163 -13.317  10.273
  240   2HD2  LEU  29          2HD2      LEU  29  -7.237 -11.981   9.588
  241   3HD2  LEU  29          3HD2      LEU  29  -7.263 -13.546   8.774
  242    H    VAL  30           H        VAL  30 -10.217 -11.697   5.822
  243    HA   VAL  30           HA       VAL  30  -9.851 -13.970   3.896
  244    HB   VAL  30           HB       VAL  30 -10.782 -11.109   3.457
  245   1HG1  VAL  30          1HG1      VAL  30  -9.458 -11.614   1.551
  246   2HG1  VAL  30          2HG1      VAL  30 -11.106 -12.007   1.057
  247   3HG1  VAL  30          3HG1      VAL  30  -9.993 -13.294   1.524
  248   1HG2  VAL  30          1HG2      VAL  30 -12.096 -13.742   3.714
  249   2HG2  VAL  30          2HG2      VAL  30 -12.634 -12.780   2.336
  250   3HG2  VAL  30          3HG2      VAL  30 -12.753 -12.125   3.970
  251    H    GLU  31           H        GLU  31  -8.728 -10.747   4.930
  252    HA   GLU  31           HA       GLU  31  -5.943 -11.481   4.534
  253   1HB   GLU  31          1HB       GLU  31  -7.333 -10.796   2.255
  254   2HB   GLU  31          2HB       GLU  31  -6.651  -9.243   2.736
  255   1HG   GLU  31          1HG       GLU  31  -4.651  -9.881   1.926
  256   2HG   GLU  31          2HG       GLU  31  -4.620 -11.218   3.075
  257    H    GLU  32           H        GLU  32  -4.499  -9.640   5.104
  258    HA   GLU  32           HA       GLU  32  -5.797  -7.231   6.234
  259   1HB   GLU  32          1HB       GLU  32  -4.780  -7.733   8.473
  260   2HB   GLU  32          2HB       GLU  32  -5.985  -8.929   7.995
  261   1HG   GLU  32          1HG       GLU  32  -3.421  -9.710   6.949
  262   2HG   GLU  32          2HG       GLU  32  -3.264  -9.385   8.676
  263    H    CYS  33           H        CYS  33  -4.338  -5.493   6.356
  264    HA   CYS  33           HA       CYS  33  -1.435  -6.023   6.007
  265   1HB   CYS  33          1HB       CYS  33  -3.356  -4.978   3.997
  266   2HB   CYS  33          2HB       CYS  33  -1.847  -4.074   4.131
  267    HG   CYS  33           HG       CYS  33  -1.565  -6.117   2.438
  268    H    LEU  34           H        LEU  34  -0.627  -3.416   5.498
  269    HA   LEU  34           HA       LEU  34  -1.418  -2.055   8.030
  270   1HB   LEU  34          1HB       LEU  34   0.943  -2.067   6.157
  271   2HB   LEU  34          2HB       LEU  34   0.713  -0.700   7.247
  272    HG   LEU  34           HG       LEU  34   0.650  -2.240   9.173
  273   1HD1  LEU  34          1HD1      LEU  34  -0.158  -4.295   8.486
  274   2HD1  LEU  34          2HD1      LEU  34   1.570  -4.645   8.466
  275   3HD1  LEU  34          3HD1      LEU  34   0.732  -4.253   6.965
  276   1HD2  LEU  34          1HD2      LEU  34   3.103  -3.301   8.138
  277   2HD2  LEU  34          2HD2      LEU  34   2.880  -1.957   9.258
  278   3HD2  LEU  34          3HD2      LEU  34   2.898  -1.662   7.519
  279    H    CYS  35           H        CYS  35  -1.224   0.485   7.753
  280    HA   CYS  35           HA       CYS  35  -2.355   1.390   5.149
  281   1HB   CYS  35          1HB       CYS  35  -4.202   2.500   6.405
  282   2HB   CYS  35          2HB       CYS  35  -4.233   0.754   6.631
  283    HG   CYS  35           HG       CYS  35  -2.628   2.118   8.820
  284    H    ILE  36           H        ILE  36  -2.102   3.699   4.837
  285    HA   ILE  36           HA       ILE  36   0.057   4.870   6.529
  286    HB   ILE  36           HB       ILE  36  -1.209   5.900   3.966
  287   1HG1  ILE  36          1HG1      ILE  36   1.239   4.136   4.302
  288   2HG1  ILE  36          2HG1      ILE  36  -0.312   3.604   3.653
  289   1HG2  ILE  36          1HG2      ILE  36   1.028   7.023   3.754
  290   2HG2  ILE  36          2HG2      ILE  36   1.418   6.444   5.373
  291   3HG2  ILE  36          3HG2      ILE  36   0.088   7.578   5.139
  292   1HD1  ILE  36          1HD1      ILE  36   1.667   4.448   2.056
  293   2HD1  ILE  36          2HD1      ILE  36   0.938   6.014   2.412
  294   3HD1  ILE  36          3HD1      ILE  36  -0.028   4.741   1.667
  295    H    VAL  37           H        VAL  37  -1.079   5.599   8.374
  296    HA   VAL  37           HA       VAL  37  -3.558   7.154   8.056
  297    HB   VAL  37           HB       VAL  37  -1.826   6.455  10.457
  298   1HG1  VAL  37          1HG1      VAL  37  -4.339   7.964  10.107
  299   2HG1  VAL  37          2HG1      VAL  37  -3.191   7.985  11.446
  300   3HG1  VAL  37          3HG1      VAL  37  -4.406   6.711  11.346
  301   1HG2  VAL  37          1HG2      VAL  37  -4.346   5.045  10.225
  302   2HG2  VAL  37          2HG2      VAL  37  -2.717   4.387  10.372
  303   3HG2  VAL  37          3HG2      VAL  37  -3.364   4.791   8.782
  304    H    ARG  38           H        ARG  38  -3.378   9.279   7.492
  305    HA   ARG  38           HA       ARG  38  -1.159  10.877   8.722
  306   1HB   ARG  38          1HB       ARG  38  -2.015  10.403   5.961
  307   2HB   ARG  38          2HB       ARG  38  -1.912  12.121   6.340
  308   1HG   ARG  38          1HG       ARG  38   0.287  10.095   6.857
  309   2HG   ARG  38          2HG       ARG  38   0.247  11.214   5.495
  310   1HD   ARG  38          1HD       ARG  38  -0.176  12.572   8.061
  311   2HD   ARG  38          2HD       ARG  38   1.395  11.754   7.965
  312    HE   ARG  38           HE       ARG  38   1.062  12.991   5.479
  313   1HH1  ARG  38          1HH1      ARG  38   1.139  13.991   8.813
  314   2HH1  ARG  38          2HH1      ARG  38   1.772  15.558   8.443
  315   1HH2  ARG  38          1HH2      ARG  38   1.883  15.031   5.024
  316   2HH2  ARG  38          2HH2      ARG  38   2.190  16.144   6.315
  317    H    HIS  39           H        HIS  39  -1.738  13.006   9.384
  318    HA   HIS  39           HA       HIS  39  -4.372  13.456  10.343
  319   1HB   HIS  39          1HB       HIS  39  -1.850  14.978   9.911
  320   2HB   HIS  39          2HB       HIS  39  -3.305  15.951  10.127
  321    HD1  HIS  39           HD1      HIS  39  -1.643  16.396  12.421
  322    HD2  HIS  39           HD2      HIS  39  -3.916  12.908  12.208
  323    HE1  HIS  39           HE1      HIS  39  -1.856  15.533  14.793
  324    H    ASN  40           H        ASN  40  -5.938  15.092   9.585
  325    HA   ASN  40           HA       ASN  40  -6.500  14.883   6.762
  326   1HB   ASN  40          1HB       ASN  40  -8.338  16.481   7.402
  327   2HB   ASN  40          2HB       ASN  40  -8.234  15.078   8.465
  328   1HD2  ASN  40          1HD2      ASN  40  -7.632  15.437  10.680
  329   2HD2  ASN  40          2HD2      ASN  40  -7.407  16.989  11.329
  330    H    ASP  41           H        ASP  41  -5.303  15.961   5.262
  331    HA   ASP  41           HA       ASP  41  -5.133  18.836   5.201
  332   1HB   ASP  41          1HB       ASP  41  -3.422  17.762   7.009
  333   2HB   ASP  41          2HB       ASP  41  -2.418  17.643   5.564
  334    H    ASP  42           H        ASP  42  -2.404  18.622   3.818
  335    HA   ASP  42           HA       ASP  42  -3.180  18.302   1.144
  336   1HB   ASP  42          1HB       ASP  42  -0.521  17.620   2.456
  337   2HB   ASP  42          2HB       ASP  42  -0.751  18.033   0.757
  338    H    TRP  43           H        TRP  43  -2.473  15.862   3.539
  339    HA   TRP  43           HA       TRP  43  -2.020  13.618   1.800
  340   1HB   TRP  43          1HB       TRP  43  -1.389  13.523   4.108
  341   2HB   TRP  43          2HB       TRP  43  -2.977  14.061   4.644
  342    HD1  TRP  43           HD1      TRP  43  -4.624  12.265   5.326
  343    HE1  TRP  43           HE1      TRP  43  -4.749   9.697   5.096
  344    HE3  TRP  43           HE3      TRP  43  -0.574  11.444   2.325
  345    HZ2  TRP  43           HZ2      TRP  43  -3.318   7.583   3.812
  346    HZ3  TRP  43           HZ3      TRP  43   0.018   9.144   1.616
  347    HH2  TRP  43           HH2      TRP  43  -1.346   7.215   2.356
  348    H    GLY  44           H        GLY  44  -4.977  14.633   3.576
  349   1HA   GLY  44          1HA       GLY  44  -6.731  12.717   2.467
  350   2HA   GLY  44          2HA       GLY  44  -7.242  14.295   3.065
  351    H    THR  45           H        THR  45  -5.570  15.774   1.150
  352    HA   THR  45           HA       THR  45  -7.444  15.797  -1.089
  353    HB   THR  45           HB       THR  45  -4.787  17.224  -0.721
  354    HG1  THR  45           HG1      THR  45  -7.383  17.909   0.189
  355   1HG2  THR  45          1HG2      THR  45  -6.786  18.851  -1.895
  356   2HG2  THR  45          2HG2      THR  45  -6.866  17.293  -2.716
  357   3HG2  THR  45          3HG2      THR  45  -5.348  18.191  -2.674
  358    H    ALA  46           H        ALA  46  -3.869  15.499  -1.044
  359    HA   ALA  46           HA       ALA  46  -3.490  14.620  -3.673
  360   1HB   ALA  46          1HB       ALA  46  -1.807  15.240  -1.861
  361   2HB   ALA  46          2HB       ALA  46  -1.356  13.842  -2.838
  362   3HB   ALA  46          3HB       ALA  46  -2.015  13.610  -1.219
  363    H    LEU  47           H        LEU  47  -3.915  12.527  -0.785
  364    HA   LEU  47           HA       LEU  47  -4.268  10.165  -2.537
  365   1HB   LEU  47          1HB       LEU  47  -3.990  10.727   0.419
  366   2HB   LEU  47          2HB       LEU  47  -4.498   9.134  -0.137
  367    HG   LEU  47           HG       LEU  47  -2.079   9.151   0.168
  368   1HD1  LEU  47          1HD1      LEU  47  -1.942   9.281  -2.726
  369   2HD1  LEU  47          2HD1      LEU  47  -3.407   8.450  -2.201
  370   3HD1  LEU  47          3HD1      LEU  47  -1.828   7.875  -1.666
  371   1HD2  LEU  47          1HD2      LEU  47  -0.658  10.777  -0.680
  372   2HD2  LEU  47          2HD2      LEU  47  -2.095  11.742  -0.342
  373   3HD2  LEU  47          3HD2      LEU  47  -1.760  11.204  -1.989
  374    H    GLU  48           H        GLU  48  -6.338  12.364  -2.436
  375    HA   GLU  48           HA       GLU  48  -8.602  11.914  -0.933
  376   1HB   GLU  48          1HB       GLU  48  -9.817  12.760  -2.944
  377   2HB   GLU  48          2HB       GLU  48  -8.322  13.650  -2.654
  378   1HG   GLU  48          1HG       GLU  48  -7.939  13.207  -4.862
  379   2HG   GLU  48          2HG       GLU  48  -7.400  11.645  -4.246
  380    H    ASP  49           H        ASP  49  -7.354   9.757  -3.420
  381    HA   ASP  49           HA       ASP  49  -9.835   8.147  -3.359
  382   1HB   ASP  49          1HB       ASP  49  -8.707   7.019  -5.275
  383   2HB   ASP  49          2HB       ASP  49  -8.804   8.761  -5.517
  384    H    TYR  50           H        TYR  50  -9.751   5.945  -2.801
  385    HA   TYR  50           HA       TYR  50  -9.073   4.039  -1.584
  386   1HB   TYR  50          1HB       TYR  50  -6.282   5.105  -2.134
  387   2HB   TYR  50          2HB       TYR  50  -6.750   3.427  -1.875
  388    HD1  TYR  50           HD1      TYR  50  -9.250   3.321  -3.551
  389    HD2  TYR  50           HD2      TYR  50  -5.396   5.056  -4.327
  390    HE1  TYR  50           HE1      TYR  50  -9.619   3.056  -5.987
  391    HE2  TYR  50           HE2      TYR  50  -5.767   4.790  -6.763
  392    HH   TYR  50           HH       TYR  50  -8.258   2.871  -8.040
  393    H    LEU  51           H        LEU  51  -9.167   6.903  -0.295
  394    HA   LEU  51           HA       LEU  51  -7.442   6.326   2.076
  395   1HB   LEU  51          1HB       LEU  51  -8.543   8.720   0.698
  396   2HB   LEU  51          2HB       LEU  51  -8.533   8.819   2.453
  397    HG   LEU  51           HG       LEU  51  -6.152   8.352   0.635
  398   1HD1  LEU  51          1HD1      LEU  51  -6.870  10.515   2.641
  399   2HD1  LEU  51          2HD1      LEU  51  -6.877  10.693   0.888
  400   3HD1  LEU  51          3HD1      LEU  51  -5.357  10.433   1.742
  401   1HD2  LEU  51          1HD2      LEU  51  -6.563   7.724   3.497
  402   2HD2  LEU  51          2HD2      LEU  51  -5.110   8.659   3.134
  403   3HD2  LEU  51          3HD2      LEU  51  -5.366   7.094   2.364
  404    H    PHE  52           H        PHE  52  -8.444   5.466   3.835
  405    HA   PHE  52           HA       PHE  52 -11.397   5.582   4.082
  406   1HB   PHE  52          1HB       PHE  52  -9.089   4.142   5.389
  407   2HB   PHE  52          2HB       PHE  52 -10.652   4.193   6.205
  408    HD1  PHE  52           HD1      PHE  52 -12.524   2.923   5.403
  409    HD2  PHE  52           HD2      PHE  52  -8.900   3.136   3.107
  410    HE1  PHE  52           HE1      PHE  52 -13.353   1.112   3.927
  411    HE2  PHE  52           HE2      PHE  52  -9.729   1.324   1.631
  412    HZ   PHE  52           HZ       PHE  52 -11.956   0.312   2.040
  413    H    SER  53           H        SER  53 -12.003   7.616   4.834
  414    HA   SER  53           HA       SER  53 -10.292   9.067   6.724
  415   1HB   SER  53          1HB       SER  53 -11.828  10.870   6.252
  416   2HB   SER  53          2HB       SER  53 -11.598   9.999   4.736
  417    HG   SER  53           HG       SER  53 -13.807  10.081   6.442
  418    H    ARG  54           H        ARG  54 -10.440   8.722   8.874
  419    HA   ARG  54           HA       ARG  54 -12.964   7.638  10.028
  420   1HB   ARG  54          1HB       ARG  54 -10.184   7.228  10.373
  421   2HB   ARG  54          2HB       ARG  54 -10.736   8.018  11.850
  422   1HG   ARG  54          1HG       ARG  54 -12.551   6.330  12.045
  423   2HG   ARG  54          2HG       ARG  54 -11.925   5.519  10.609
  424   1HD   ARG  54          1HD       ARG  54 -10.972   4.354  12.486
  425   2HD   ARG  54          2HD       ARG  54  -9.676   5.398  11.868
  426    HE   ARG  54           HE       ARG  54 -11.355   6.750  13.829
  427   1HH1  ARG  54          1HH1      ARG  54  -8.662   4.592  13.390
  428   2HH1  ARG  54          2HH1      ARG  54  -7.950   4.991  14.914
  429   1HH2  ARG  54          1HH2      ARG  54 -10.414   7.251  15.805
  430   2HH2  ARG  54          2HH2      ARG  54  -8.933   6.485  16.274
  431    H    LYS  55           H        LYS  55 -13.279   8.595  12.409
  432    HA   LYS  55           HA       LYS  55 -13.731  11.458  12.082
  433   1HB   LYS  55          1HB       LYS  55 -14.329   9.266  14.032
  434   2HB   LYS  55          2HB       LYS  55 -14.419  10.922  14.634
  435   1HG   LYS  55          1HG       LYS  55 -16.556  10.791  13.818
  436   2HG   LYS  55          2HG       LYS  55 -15.761  11.208  12.300
  437   1HD   LYS  55          1HD       LYS  55 -15.936   9.066  11.461
  438   2HD   LYS  55          2HD       LYS  55 -15.851   8.322  13.057
  439   1HE   LYS  55          1HE       LYS  55 -18.175   9.363  13.482
  440   2HE   LYS  55          2HE       LYS  55 -18.235   9.630  11.730
  441   1HZ   LYS  55          1HZ       LYS  55 -17.782   7.308  11.364
  442   2HZ   LYS  55          2HZ       LYS  55 -19.125   7.435  12.395
  443   3HZ   LYS  55          3HZ       LYS  55 -17.604   7.029  13.030
  444    H    ASN  56           H        ASN  56 -11.440  12.084  11.890
  445    HA   ASN  56           HA       ASN  56  -9.786  11.852  14.338
  446   1HB   ASN  56          1HB       ASN  56  -9.606  14.318  14.469
  447   2HB   ASN  56          2HB       ASN  56 -10.693  14.473  13.089
  448   1HD2  ASN  56          1HD2      ASN  56 -12.806  14.907  13.725
  449   2HD2  ASN  56          2HD2      ASN  56 -13.528  14.362  15.161
  450    H    MET  57           H        MET  57  -9.801  11.182  11.282
  451    HA   MET  57           HA       MET  57  -7.738  12.788  10.055
  452   1HB   MET  57          1HB       MET  57  -5.848  11.216  10.438
  453   2HB   MET  57          2HB       MET  57  -6.457  11.850  11.966
  454   1HG   MET  57          1HG       MET  57  -8.036   9.608  11.535
  455   2HG   MET  57          2HG       MET  57  -6.449   9.099  10.960
  456   1HE   MET  57          1HE       MET  57  -4.191  10.164  13.996
  457   2HE   MET  57          2HE       MET  57  -4.750  11.218  12.697
  458   3HE   MET  57          3HE       MET  57  -4.225   9.575  12.334
  459    H    SER  58           H        SER  58  -6.382  10.809   8.610
  460    HA   SER  58           HA       SER  58  -8.487   9.075   7.408
  461   1HB   SER  58          1HB       SER  58  -8.030   9.995   5.205
  462   2HB   SER  58          2HB       SER  58  -8.359  11.349   6.286
  463    HG   SER  58           HG       SER  58  -6.516  11.836   5.175
  464    H    ALA  59           H        ALA  59  -7.573   7.278   6.224
  465    HA   ALA  59           HA       ALA  59  -4.606   6.960   6.430
  466   1HB   ALA  59          1HB       ALA  59  -5.627   4.472   7.057
  467   2HB   ALA  59          2HB       ALA  59  -6.805   5.549   7.808
  468   3HB   ALA  59          3HB       ALA  59  -5.101   5.662   8.247
  469    H    MET  60           H        MET  60  -3.716   5.670   4.765
  470    HA   MET  60           HA       MET  60  -5.487   5.153   2.451
  471   1HB   MET  60          1HB       MET  60  -3.308   6.262   2.162
  472   2HB   MET  60          2HB       MET  60  -2.496   4.908   2.944
  473   1HG   MET  60          1HG       MET  60  -2.278   4.704   0.515
  474   2HG   MET  60          2HG       MET  60  -3.299   3.406   1.134
  475   1HE   MET  60          1HE       MET  60  -2.575   6.005  -0.989
  476   2HE   MET  60          2HE       MET  60  -3.804   7.220  -0.633
  477   3HE   MET  60          3HE       MET  60  -3.945   6.221  -2.079
  478    H    ALA  61           H        ALA  61  -5.688   3.044   1.490
  479    HA   ALA  61           HA       ALA  61  -5.484   0.823   3.422
  480   1HB   ALA  61          1HB       ALA  61  -6.861   1.509   0.918
  481   2HB   ALA  61          2HB       ALA  61  -7.392   0.461   2.233
  482   3HB   ALA  61          3HB       ALA  61  -6.327  -0.172   0.978
  483    H    LEU  62           H        LEU  62  -3.459  -0.052   3.608
  484    HA   LEU  62           HA       LEU  62  -1.477  -1.135   2.992
  485   1HB   LEU  62          1HB       LEU  62  -0.885   0.062   0.517
  486   2HB   LEU  62          2HB       LEU  62  -1.838   1.265   1.385
  487    HG   LEU  62           HG       LEU  62  -0.300   0.795   3.390
  488   1HD1  LEU  62          1HD1      LEU  62   0.691  -1.129   1.530
  489   2HD1  LEU  62          2HD1      LEU  62   1.269  -0.802   3.164
  490   3HD1  LEU  62          3HD1      LEU  62   1.963   0.065   1.793
  491   1HD2  LEU  62          1HD2      LEU  62   1.286   2.423   2.647
  492   2HD2  LEU  62          2HD2      LEU  62  -0.215   2.791   1.797
  493   3HD2  LEU  62          3HD2      LEU  62   1.088   1.946   0.961
  494    H    GLY  63           H        GLY  63  -2.641  -3.163   2.595
  495   1HA   GLY  63          1HA       GLY  63  -2.042  -4.368   0.111
  496   2HA   GLY  63          2HA       GLY  63  -3.198  -5.019   1.273
  497    H    PHE  64           H        PHE  64  -4.258  -5.628  -0.889
  498    HA   PHE  64           HA       PHE  64  -5.485  -3.539  -2.477
  499   1HB   PHE  64          1HB       PHE  64  -6.393  -5.367  -3.685
  500   2HB   PHE  64          2HB       PHE  64  -4.840  -5.942  -3.099
  501    HD1  PHE  64           HD1      PHE  64  -5.936  -6.285  -0.120
  502    HD2  PHE  64           HD2      PHE  64  -7.273  -7.591  -3.990
  503    HE1  PHE  64           HE1      PHE  64  -7.077  -8.212   0.927
  504    HE2  PHE  64           HE2      PHE  64  -8.417  -9.523  -2.935
  505    HZ   PHE  64           HZ       PHE  64  -8.319  -9.833  -0.478
  506    H    GLY  65           H        GLY  65  -6.214  -2.673  -0.074
  507   1HA   GLY  65          1HA       GLY  65  -8.895  -3.743   0.583
  508   2HA   GLY  65          2HA       GLY  65  -8.020  -2.523   1.508
  509    H    ALA  66           H        ALA  66  -7.362  -1.137  -1.131
  510    HA   ALA  66           HA       ALA  66  -9.812   0.510  -1.190
  511   1HB   ALA  66          1HB       ALA  66  -7.474   1.403  -0.957
  512   2HB   ALA  66          2HB       ALA  66  -8.332   2.080  -2.341
  513   3HB   ALA  66          3HB       ALA  66  -7.128   0.814  -2.583
  514    H    ILE  67           H        ILE  67  -8.942  -2.228  -2.847
  515    HA   ILE  67           HA       ILE  67  -9.780  -1.234  -5.517
  516    HB   ILE  67           HB       ILE  67  -9.434  -3.763  -6.062
  517   1HG1  ILE  67          1HG1      ILE  67  -8.012  -5.008  -4.608
  518   2HG1  ILE  67          2HG1      ILE  67  -7.820  -3.645  -3.511
  519   1HG2  ILE  67          1HG2      ILE  67  -6.846  -3.320  -5.875
  520   2HG2  ILE  67          2HG2      ILE  67  -7.365  -1.709  -5.375
  521   3HG2  ILE  67          3HG2      ILE  67  -7.836  -2.336  -6.955
  522   1HD1  ILE  67          1HD1      ILE  67  -9.504  -5.538  -2.899
  523   2HD1  ILE  67          2HD1      ILE  67 -10.549  -4.762  -4.091
  524   3HD1  ILE  67          3HD1      ILE  67  -9.997  -3.861  -2.677
  525    H    PHE  68           H        PHE  68 -11.290  -2.434  -2.728
  526    HA   PHE  68           HA       PHE  68 -13.316  -4.140  -3.728
  527   1HB   PHE  68          1HB       PHE  68 -13.468  -1.978  -1.592
  528   2HB   PHE  68          2HB       PHE  68 -14.526  -3.382  -1.711
  529    HD1  PHE  68           HD1      PHE  68 -12.261  -5.347  -2.602
  530    HD2  PHE  68           HD2      PHE  68 -12.588  -2.501   0.604
  531    HE1  PHE  68           HE1      PHE  68 -10.662  -6.673  -1.255
  532    HE2  PHE  68           HE2      PHE  68 -10.986  -3.830   1.943
  533    HZ   PHE  68           HZ       PHE  68 -10.022  -5.915   1.014
  534    H    ASN  69           H        ASN  69 -15.070  -3.745  -5.046
  535    HA   ASN  69           HA       ASN  69 -15.490  -0.956  -5.991
  536   1HB   ASN  69          1HB       ASN  69 -16.479  -3.666  -6.957
  537   2HB   ASN  69          2HB       ASN  69 -16.707  -2.140  -7.813
  538   1HD2  ASN  69          1HD2      ASN  69 -15.331  -3.921  -9.306
  539   2HD2  ASN  69          2HD2      ASN  69 -13.661  -3.609  -9.297
  540    H    HIS  70           H        HIS  70 -17.963  -0.622  -6.632
  541    HA   HIS  70           HA       HIS  70 -19.483  -0.733  -4.123
  542   1HB   HIS  70          1HB       HIS  70 -19.295   1.147  -5.915
  543   2HB   HIS  70          2HB       HIS  70 -20.444   0.183  -6.842
  544    HD1  HIS  70           HD1      HIS  70 -20.572   2.970  -4.793
  545    HD2  HIS  70           HD2      HIS  70 -22.647  -0.644  -4.676
  546    HE1  HIS  70           HE1      HIS  70 -22.672   3.393  -3.441
  547    H    SER  71           H        SER  71 -20.613  -2.573  -3.630
  548    HA   SER  71           HA       SER  71 -22.111  -3.932  -5.840
  549   1HB   SER  71          1HB       SER  71 -19.966  -4.881  -4.066
  550   2HB   SER  71          2HB       SER  71 -21.385  -5.927  -4.045
  551    HG   SER  71           HG       SER  71 -19.928  -6.488  -5.712
  552    H    LYS  72           H        LYS  72 -24.185  -4.609  -5.243
  553    HA   LYS  72           HA       LYS  72 -25.462  -3.462  -2.959
  554   1HB   LYS  72          1HB       LYS  72 -26.421  -4.318  -5.185
  555   2HB   LYS  72          2HB       LYS  72 -26.315  -5.937  -4.494
  556   1HG   LYS  72          1HG       LYS  72 -28.532  -5.205  -4.021
  557   2HG   LYS  72          2HG       LYS  72 -27.648  -5.001  -2.509
  558   1HD   LYS  72          1HD       LYS  72 -27.196  -2.599  -3.263
  559   2HD   LYS  72          2HD       LYS  72 -28.403  -2.874  -4.518
  560   1HE   LYS  72          1HE       LYS  72 -29.201  -3.648  -1.756
  561   2HE   LYS  72          2HE       LYS  72 -29.062  -1.910  -2.081
  562   1HZ   LYS  72          1HZ       LYS  72 -31.265  -2.837  -2.685
  563   2HZ   LYS  72          2HZ       LYS  72 -30.506  -3.847  -3.819
  564   3HZ   LYS  72          3HZ       LYS  72 -30.450  -2.161  -4.012
  565    H    ASP  73           H        ASP  73 -25.206  -4.091  -0.853
  566    HA   ASP  73           HA       ASP  73 -24.804  -5.464   1.025
  567   1HB   ASP  73          1HB       ASP  73 -26.745  -6.587  -0.516
  568   2HB   ASP  73          2HB       ASP  73 -25.554  -7.887  -0.537
  569    HA   PRO  74           HA       PRO  74 -20.762  -6.749  -0.816
  570   1HB   PRO  74          1HB       PRO  74 -19.331  -5.886   1.409
  571   2HB   PRO  74          2HB       PRO  74 -19.650  -4.892  -0.023
  572   1HG   PRO  74          1HG       PRO  74 -21.015  -4.913   2.619
  573   2HG   PRO  74          2HG       PRO  74 -20.650  -3.554   1.548
  574   1HD   PRO  74          1HD       PRO  74 -23.125  -4.639   1.766
  575   2HD   PRO  74          2HD       PRO  74 -22.528  -3.895   0.268
  576    H    ASN  75           H        ASN  75 -20.860  -8.975  -0.572
  577    HA   ASN  75           HA       ASN  75 -21.565 -10.412   1.766
  578   1HB   ASN  75          1HB       ASN  75 -19.921 -10.982  -0.707
  579   2HB   ASN  75          2HB       ASN  75 -20.182 -12.229   0.512
  580   1HD2  ASN  75          1HD2      ASN  75 -21.254 -12.435  -2.163
  581   2HD2  ASN  75          2HD2      ASN  75 -22.947 -12.368  -2.054
  582    H    ALA  76           H        ALA  76 -18.617  -8.752   0.989
  583    HA   ALA  76           HA       ALA  76 -17.344  -9.954   3.423
  584   1HB   ALA  76          1HB       ALA  76 -15.264  -9.264   1.736
  585   2HB   ALA  76          2HB       ALA  76 -16.497  -9.811   0.600
  586   3HB   ALA  76          3HB       ALA  76 -15.939 -10.887   1.881
  587    H    ARG  77           H        ARG  77 -17.056  -8.333   4.896
  588    HA   ARG  77           HA       ARG  77 -16.776  -5.528   3.913
  589   1HB   ARG  77          1HB       ARG  77 -18.041  -6.923   6.135
  590   2HB   ARG  77          2HB       ARG  77 -17.009  -5.617   6.719
  591   1HG   ARG  77          1HG       ARG  77 -18.138  -4.020   5.263
  592   2HG   ARG  77          2HG       ARG  77 -19.101  -5.310   4.545
  593   1HD   ARG  77          1HD       ARG  77 -20.415  -4.116   6.267
  594   2HD   ARG  77          2HD       ARG  77 -20.088  -5.776   6.801
  595    HE   ARG  77           HE       ARG  77 -17.917  -4.146   7.648
  596   1HH1  ARG  77          1HH1      ARG  77 -21.323  -4.552   8.245
  597   2HH1  ARG  77          2HH1      ARG  77 -21.217  -3.986   9.875
  598   1HH2  ARG  77          1HH2      ARG  77 -17.804  -3.415   9.767
  599   2HH2  ARG  77          2HH2      ARG  77 -19.240  -3.347  10.733
  600    H    HIS  78           H        HIS  78 -15.441  -4.324   5.933
  601    HA   HIS  78           HA       HIS  78 -12.842  -5.802   6.164
  602   1HB   HIS  78          1HB       HIS  78 -11.795  -3.540   5.760
  603   2HB   HIS  78          2HB       HIS  78 -12.726  -4.132   4.385
  604    HD1  HIS  78           HD1      HIS  78 -14.913  -2.900   3.796
  605    HD2  HIS  78           HD2      HIS  78 -13.004  -1.345   7.160
  606    HE1  HIS  78           HE1      HIS  78 -16.068  -0.710   4.326
  607    H    GLU  79           H        GLU  79 -11.481  -4.962   7.980
  608    HA   GLU  79           HA       GLU  79 -13.041  -3.554  10.109
  609   1HB   GLU  79          1HB       GLU  79 -13.104  -6.116  10.214
  610   2HB   GLU  79          2HB       GLU  79 -11.372  -6.052  10.540
  611   1HG   GLU  79          1HG       GLU  79 -11.894  -4.493  12.468
  612   2HG   GLU  79          2HG       GLU  79 -13.601  -4.850  12.204
  613    H    LEU  80           H        LEU  80 -11.624  -2.641  11.793
  614    HA   LEU  80           HA       LEU  80  -8.811  -2.223  10.830
  615   1HB   LEU  80          1HB       LEU  80 -10.934  -0.456  12.025
  616   2HB   LEU  80          2HB       LEU  80  -9.239  -0.047  12.291
  617    HG   LEU  80           HG       LEU  80 -10.165  -0.704   9.512
  618   1HD1  LEU  80          1HD1      LEU  80 -10.636   1.871  11.025
  619   2HD1  LEU  80          2HD1      LEU  80 -11.800   0.928  10.094
  620   3HD1  LEU  80          3HD1      LEU  80 -10.528   1.826   9.265
  621   1HD2  LEU  80          1HD2      LEU  80  -7.797  -0.418   9.809
  622   2HD2  LEU  80          2HD2      LEU  80  -8.034   1.045  10.764
  623   3HD2  LEU  80          3HD2      LEU  80  -8.391   1.053   9.037
  624    H    THR  81           H        THR  81  -7.166  -2.219  12.462
  625    HA   THR  81           HA       THR  81  -7.610  -3.968  14.710
  626    HB   THR  81           HB       THR  81  -5.233  -3.045  15.246
  627    HG1  THR  81           HG1      THR  81  -4.849  -1.285  14.184
  628   1HG2  THR  81          1HG2      THR  81  -5.899  -5.120  13.866
  629   2HG2  THR  81          2HG2      THR  81  -4.285  -4.464  13.596
  630   3HG2  THR  81          3HG2      THR  81  -5.578  -4.125  12.446
  631    H    ALA  82           H        ALA  82  -9.533  -2.441  15.443
  632    HA   ALA  82           HA       ALA  82 -10.368  -0.925  17.051
  633   1HB   ALA  82          1HB       ALA  82  -9.248  -1.178  19.128
  634   2HB   ALA  82          2HB       ALA  82  -7.667  -1.303  18.355
  635   3HB   ALA  82          3HB       ALA  82  -8.811  -2.641  18.245
  636    H    GLY  83           H        GLY  83  -9.037   0.337  14.803
  637   1HA   GLY  83          1HA       GLY  83  -8.915   2.987  15.489
  638   2HA   GLY  83          2HA       GLY  83  -7.291   2.427  15.880
  639    H    LEU  84           H        LEU  84  -6.067   3.292  14.244
  640    HA   LEU  84           HA       LEU  84  -6.835   2.543  11.443
  641   1HB   LEU  84          1HB       LEU  84  -6.984   5.051  12.548
  642   2HB   LEU  84          2HB       LEU  84  -5.349   5.071  11.891
  643    HG   LEU  84           HG       LEU  84  -6.225   4.375   9.690
  644   1HD1  LEU  84          1HD1      LEU  84  -8.594   3.856  11.301
  645   2HD1  LEU  84          2HD1      LEU  84  -8.208   3.295   9.674
  646   3HD1  LEU  84          3HD1      LEU  84  -8.974   4.866   9.906
  647   1HD2  LEU  84          1HD2      LEU  84  -7.950   6.509   9.628
  648   2HD2  LEU  84          2HD2      LEU  84  -6.194   6.645   9.530
  649   3HD2  LEU  84          3HD2      LEU  84  -7.010   6.856  11.079
  650    H    LYS  85           H        LYS  85  -5.265   0.771  11.652
  651    HA   LYS  85           HA       LYS  85  -2.508   1.660  11.091
  652   1HB   LYS  85          1HB       LYS  85  -3.484   0.418  13.584
  653   2HB   LYS  85          2HB       LYS  85  -1.994  -0.266  12.940
  654   1HG   LYS  85          1HG       LYS  85  -0.816   1.546  13.589
  655   2HG   LYS  85          2HG       LYS  85  -1.954   2.629  12.786
  656   1HD   LYS  85          1HD       LYS  85  -3.451   1.889  14.915
  657   2HD   LYS  85          2HD       LYS  85  -1.842   1.765  15.620
  658   1HE   LYS  85          1HE       LYS  85  -2.008   4.190  14.063
  659   2HE   LYS  85          2HE       LYS  85  -3.345   4.133  15.227
  660   1HZ   LYS  85          1HZ       LYS  85  -0.575   3.383  15.968
  661   2HZ   LYS  85          2HZ       LYS  85  -1.870   3.769  16.997
  662   3HZ   LYS  85          3HZ       LYS  85  -1.121   4.988  16.082
  663    H    ARG  86           H        ARG  86  -4.534  -1.214  11.780
  664    HA   ARG  86           HA       ARG  86  -3.282  -2.524   9.387
  665   1HB   ARG  86          1HB       ARG  86  -3.528  -3.289  12.200
  666   2HB   ARG  86          2HB       ARG  86  -4.201  -4.518  11.128
  667   1HG   ARG  86          1HG       ARG  86  -1.798  -3.665   9.914
  668   2HG   ARG  86          2HG       ARG  86  -1.428  -3.866  11.626
  669   1HD   ARG  86          1HD       ARG  86  -2.445  -6.147  11.549
  670   2HD   ARG  86          2HD       ARG  86  -2.704  -5.941   9.806
  671    HE   ARG  86           HE       ARG  86  -0.375  -6.232   9.491
  672   1HH1  ARG  86          1HH1      ARG  86  -1.085  -5.450  12.808
  673   2HH1  ARG  86          2HH1      ARG  86   0.548  -5.683  13.327
  674   1HH2  ARG  86          1HH2      ARG  86   1.737  -6.528  10.189
  675   2HH2  ARG  86          2HH2      ARG  86   2.135  -6.289  11.858
  676    H    MET  87           H        MET  87  -4.789  -2.931   7.829
  677    HA   MET  87           HA       MET  87  -7.669  -2.827   8.540
  678   1HB   MET  87          1HB       MET  87  -5.924  -2.468   6.150
  679   2HB   MET  87          2HB       MET  87  -7.549  -3.081   5.840
  680   1HG   MET  87          1HG       MET  87  -8.420  -1.169   7.271
  681   2HG   MET  87          2HG       MET  87  -6.785  -0.508   7.243
  682   1HE   MET  87          1HE       MET  87  -9.671  -1.899   5.302
  683   2HE   MET  87          2HE       MET  87  -8.452  -2.524   4.191
  684   3HE   MET  87          3HE       MET  87  -9.552  -1.249   3.667
  685    H    ARG  88           H        ARG  88  -9.122  -4.523   7.853
  686    HA   ARG  88           HA       ARG  88  -7.850  -7.122   7.102
  687   1HB   ARG  88          1HB       ARG  88  -9.728  -6.494   9.405
  688   2HB   ARG  88          2HB       ARG  88  -9.405  -8.137   8.855
  689   1HG   ARG  88          1HG       ARG  88  -7.067  -7.939   9.385
  690   2HG   ARG  88          2HG       ARG  88  -7.222  -6.207   9.677
  691   1HD   ARG  88          1HD       ARG  88  -8.844  -6.773  11.556
  692   2HD   ARG  88          2HD       ARG  88  -8.369  -8.469  11.345
  693    HE   ARG  88           HE       ARG  88  -6.699  -6.347  12.474
  694   1HH1  ARG  88          1HH1      ARG  88  -6.746  -9.382  10.769
  695   2HH1  ARG  88          2HH1      ARG  88  -5.154  -9.821  11.282
  696   1HH2  ARG  88          1HH2      ARG  88  -4.633  -6.939  13.126
  697   2HH2  ARG  88          2HH2      ARG  88  -3.965  -8.450  12.606
  698    H    ILE  89           H        ILE  89  -9.532  -8.685   6.295
  699    HA   ILE  89           HA       ILE  89 -11.972  -7.294   5.244
  700    HB   ILE  89           HB       ILE  89 -10.010  -9.154   3.851
  701   1HG1  ILE  89          1HG1      ILE  89 -10.783  -6.514   2.737
  702   2HG1  ILE  89          2HG1      ILE  89  -9.817  -6.469   4.211
  703   1HG2  ILE  89          1HG2      ILE  89 -12.726  -8.114   3.029
  704   2HG2  ILE  89          2HG2      ILE  89 -12.144  -9.779   3.008
  705   3HG2  ILE  89          3HG2      ILE  89 -11.525  -8.613   1.838
  706   1HD1  ILE  89          1HD1      ILE  89  -8.279  -6.485   2.356
  707   2HD1  ILE  89          2HD1      ILE  89  -9.122  -7.836   1.598
  708   3HD1  ILE  89          3HD1      ILE  89  -8.218  -8.087   3.092
  709    H    PHE  90           H        PHE  90 -13.414  -8.310   6.689
  710    HA   PHE  90           HA       PHE  90 -13.281 -11.244   7.064
  711   1HB   PHE  90          1HB       PHE  90 -14.705  -8.880   8.250
  712   2HB   PHE  90          2HB       PHE  90 -15.399 -10.483   8.493
  713    HD1  PHE  90           HD1      PHE  90 -13.945 -12.310   9.501
  714    HD2  PHE  90           HD2      PHE  90 -12.800  -8.170   9.472
  715    HE1  PHE  90           HE1      PHE  90 -12.284 -12.756  11.288
  716    HE2  PHE  90           HE2      PHE  90 -11.140  -8.616  11.259
  717    HZ   PHE  90           HZ       PHE  90 -10.882 -10.910  12.167
  718    H    THR  91           H        THR  91 -15.182 -12.585   6.635
  719    HA   THR  91           HA       THR  91 -16.721 -11.635   4.261
  720    HB   THR  91           HB       THR  91 -17.202 -14.189   4.204
  721    HG1  THR  91           HG1      THR  91 -15.729 -15.397   5.420
  722   1HG2  THR  91          1HG2      THR  91 -15.599 -14.063   2.631
  723   2HG2  THR  91          2HG2      THR  91 -14.366 -14.213   3.883
  724   3HG2  THR  91          3HG2      THR  91 -14.946 -12.618   3.402
  725    H    ILE  92           H        ILE  92 -18.217 -10.362   5.643
  726    HA   ILE  92           HA       ILE  92 -19.728 -11.313   7.811
  727    HB   ILE  92           HB       ILE  92 -21.388  -9.598   6.994
  728   1HG1  ILE  92          1HG1      ILE  92 -19.541  -8.970   4.728
  729   2HG1  ILE  92          2HG1      ILE  92 -20.691 -10.288   4.511
  730   1HG2  ILE  92          1HG2      ILE  92 -19.800  -7.701   7.076
  731   2HG2  ILE  92          2HG2      ILE  92 -18.462  -8.817   6.805
  732   3HG2  ILE  92          3HG2      ILE  92 -19.407  -8.918   8.290
  733   1HD1  ILE  92          1HD1      ILE  92 -21.168  -7.398   4.604
  734   2HD1  ILE  92          2HD1      ILE  92 -22.233  -8.305   5.679
  735   3HD1  ILE  92          3HD1      ILE  92 -22.188  -8.683   3.957
  736    H    LYS  93           H        LYS  93 -19.969 -12.172   4.430
  737    HA   LYS  93           HA       LYS  93 -22.252 -13.981   5.113
  738   1HB   LYS  93          1HB       LYS  93 -21.944 -12.213   2.656
  739   2HB   LYS  93          2HB       LYS  93 -23.281 -13.323   2.951
  740   1HG   LYS  93          1HG       LYS  93 -22.557 -11.043   4.811
  741   2HG   LYS  93          2HG       LYS  93 -23.777 -10.920   3.544
  742   1HD   LYS  93          1HD       LYS  93 -24.876 -12.976   4.593
  743   2HD   LYS  93          2HD       LYS  93 -23.798 -12.731   5.967
  744   1HE   LYS  93          1HE       LYS  93 -25.020 -10.964   6.730
  745   2HE   LYS  93          2HE       LYS  93 -25.175 -10.270   5.104
  746   1HZ   LYS  93          1HZ       LYS  93 -27.297 -11.154   6.063
  747   2HZ   LYS  93          2HZ       LYS  93 -26.618 -12.709   6.002
  748   3HZ   LYS  93          3HZ       LYS  93 -26.868 -11.835   4.568
  749    HA   PRO  94           HA       PRO  94 -19.617 -17.110   3.397
  750   1HB   PRO  94          1HB       PRO  94 -22.240 -18.106   2.405
  751   2HB   PRO  94          2HB       PRO  94 -20.919 -18.998   3.178
  752   1HG   PRO  94          1HG       PRO  94 -23.029 -18.296   4.542
  753   2HG   PRO  94          2HG       PRO  94 -21.446 -18.190   5.264
  754   1HD   PRO  94          1HD       PRO  94 -23.247 -16.034   4.292
  755   2HD   PRO  94          2HD       PRO  94 -22.076 -16.020   5.627
  756    H    ILE  95           H        ILE  95 -18.615 -17.334   1.354
  757    HA   ILE  95           HA       ILE  95 -19.999 -15.978  -0.939
  758    HB   ILE  95           HB       ILE  95 -17.071 -16.235  -0.165
  759   1HG1  ILE  95          1HG1      ILE  95 -18.646 -13.695  -0.534
  760   2HG1  ILE  95          2HG1      ILE  95 -18.715 -14.573   0.994
  761   1HG2  ILE  95          1HG2      ILE  95 -16.854 -14.552  -2.130
  762   2HG2  ILE  95          2HG2      ILE  95 -18.422 -15.174  -2.645
  763   3HG2  ILE  95          3HG2      ILE  95 -17.038 -16.261  -2.526
  764   1HD1  ILE  95          1HD1      ILE  95 -16.910 -13.186   1.417
  765   2HD1  ILE  95          2HD1      ILE  95 -16.412 -13.144  -0.275
  766   3HD1  ILE  95          3HD1      ILE  95 -16.069 -14.566   0.711
  767    H    ALA  96           H        ALA  96 -20.074 -17.084  -2.895
  768    HA   ALA  96           HA       ALA  96 -19.410 -19.962  -2.831
  769   1HB   ALA  96          1HB       ALA  96 -20.716 -19.919  -4.947
  770   2HB   ALA  96          2HB       ALA  96 -20.734 -18.155  -4.894
  771   3HB   ALA  96          3HB       ALA  96 -21.581 -19.085  -3.656
  772    H    ILE  97           H        ILE  97 -18.315 -20.904  -4.812
  773    HA   ILE  97           HA       ILE  97 -15.784 -19.591  -5.305
  774    HB   ILE  97           HB       ILE  97 -17.190 -21.961  -6.592
  775   1HG1  ILE  97          1HG1      ILE  97 -14.996 -22.653  -4.890
  776   2HG1  ILE  97          2HG1      ILE  97 -16.059 -21.562  -4.001
  777   1HG2  ILE  97          1HG2      ILE  97 -14.750 -20.609  -7.279
  778   2HG2  ILE  97          2HG2      ILE  97 -15.447 -22.053  -8.013
  779   3HG2  ILE  97          3HG2      ILE  97 -14.356 -22.204  -6.635
  780   1HD1  ILE  97          1HD1      ILE  97 -16.470 -24.274  -4.299
  781   2HD1  ILE  97          2HD1      ILE  97 -17.501 -23.596  -5.559
  782   3HD1  ILE  97          3HD1      ILE  97 -17.720 -23.102  -3.880
  783    H    GLY  98           H        GLY  98 -15.345 -18.093  -6.871
  784   1HA   GLY  98          1HA       GLY  98 -15.401 -17.266  -9.136
  785   2HA   GLY  98          2HA       GLY  98 -16.915 -18.133  -9.387
  786    H    GLU  99           H        GLU  99 -16.531 -16.264  -6.465
  787    HA   GLU  99           HA       GLU  99 -18.634 -14.406  -7.431
  788   1HB   GLU  99          1HB       GLU  99 -18.030 -15.894  -5.090
  789   2HB   GLU  99          2HB       GLU  99 -17.830 -14.209  -4.661
  790   1HG   GLU  99          1HG       GLU  99 -20.256 -15.107  -6.202
  791   2HG   GLU  99          2HG       GLU  99 -20.201 -15.303  -4.452
  792    H    GLU 100           H        GLU 100 -18.269 -12.148  -6.073
  793    HA   GLU 100           HA       GLU 100 -15.441 -11.287  -6.591
  794   1HB   GLU 100          1HB       GLU 100 -17.198 -10.592  -8.290
  795   2HB   GLU 100          2HB       GLU 100 -17.987  -9.679  -7.004
  796   1HG   GLU 100          1HG       GLU 100 -15.698  -8.550  -6.644
  797   2HG   GLU 100          2HG       GLU 100 -15.250  -9.235  -8.206
  798    H    ILE 101           H        ILE 101 -14.508 -10.493  -4.753
  799    HA   ILE 101           HA       ILE 101 -16.198  -9.853  -2.416
  800    HB   ILE 101           HB       ILE 101 -13.205 -10.042  -2.908
  801   1HG1  ILE 101          1HG1      ILE 101 -15.158 -11.870  -1.481
  802   2HG1  ILE 101          2HG1      ILE 101 -14.435 -12.172  -3.060
  803   1HG2  ILE 101          1HG2      ILE 101 -14.563  -8.739  -0.797
  804   2HG2  ILE 101          2HG2      ILE 101 -12.851  -9.155  -0.867
  805   3HG2  ILE 101          3HG2      ILE 101 -14.003 -10.278  -0.143
  806   1HD1  ILE 101          1HD1      ILE 101 -12.797 -13.240  -1.912
  807   2HD1  ILE 101          2HD1      ILE 101 -13.279 -12.510  -0.381
  808   3HD1  ILE 101          3HD1      ILE 101 -12.230 -11.625  -1.487
  809    H    THR 102           H        THR 102 -16.668  -7.807  -1.797
  810    HA   THR 102           HA       THR 102 -14.927  -5.532  -2.522
  811    HB   THR 102           HB       THR 102 -16.853  -4.378  -3.631
  812    HG1  THR 102           HG1      THR 102 -18.100  -6.914  -3.530
  813   1HG2  THR 102          1HG2      THR 102 -16.674  -5.522  -5.711
  814   2HG2  THR 102          2HG2      THR 102 -16.418  -7.077  -4.919
  815   3HG2  THR 102          3HG2      THR 102 -15.155  -5.846  -4.874
  816    H    ILE 103           H        ILE 103 -16.625  -3.464  -1.815
  817    HA   ILE 103           HA       ILE 103 -17.931  -4.197   0.749
  818    HB   ILE 103           HB       ILE 103 -16.521  -2.612   1.991
  819   1HG1  ILE 103          1HG1      ILE 103 -14.419  -2.096   0.165
  820   2HG1  ILE 103          2HG1      ILE 103 -15.915  -1.685  -0.670
  821   1HG2  ILE 103          1HG2      ILE 103 -14.708  -4.362   0.314
  822   2HG2  ILE 103          2HG2      ILE 103 -15.758  -5.005   1.576
  823   3HG2  ILE 103          3HG2      ILE 103 -14.477  -3.866   1.990
  824   1HD1  ILE 103          1HD1      ILE 103 -15.468   0.304   0.462
  825   2HD1  ILE 103          2HD1      ILE 103 -14.767  -0.526   1.851
  826   3HD1  ILE 103          3HD1      ILE 103 -16.516  -0.517   1.618
  827    H    SER 104           H        SER 104 -18.374  -1.684   1.757
  828    HA   SER 104           HA       SER 104 -20.058  -0.442  -0.371
  829   1HB   SER 104          1HB       SER 104 -20.824  -1.352   1.969
  830   2HB   SER 104          2HB       SER 104 -20.133   0.147   2.589
  831    HG   SER 104           HG       SER 104 -22.466   0.054   1.865
  832    H    TYR 105           H        TYR 105 -20.262   2.034   1.287
  833    HA   TYR 105           HA       TYR 105 -17.509   3.151   0.965
  834   1HB   TYR 105          1HB       TYR 105 -20.112   3.968  -0.319
  835   2HB   TYR 105          2HB       TYR 105 -18.845   5.168  -0.058
  836    HD1  TYR 105           HD1      TYR 105 -16.519   4.709  -0.984
  837    HD2  TYR 105           HD2      TYR 105 -19.968   2.405  -2.095
  838    HE1  TYR 105           HE1      TYR 105 -15.317   3.877  -2.988
  839    HE2  TYR 105           HE2      TYR 105 -18.767   1.572  -4.097
  840    HH   TYR 105           HH       TYR 105 -15.805   1.423  -4.532
  841    H    GLY 106           H        GLY 106 -20.483   4.992   1.530
  842   1HA   GLY 106          1HA       GLY 106 -20.429   4.978   4.381
  843   2HA   GLY 106          2HA       GLY 106 -19.446   6.328   3.813
  844    H    ASP 107           H        ASP 107 -20.698   8.127   4.082
  845    HA   ASP 107           HA       ASP 107 -23.572   7.987   3.252
  846   1HB   ASP 107          1HB       ASP 107 -22.062   9.120   5.460
  847   2HB   ASP 107          2HB       ASP 107 -23.001  10.376   4.652
  848    H    ASP 108           H        ASP 108 -20.612   9.011   2.047
  849    HA   ASP 108           HA       ASP 108 -21.967  11.065   0.346
  850   1HB   ASP 108          1HB       ASP 108 -20.049  11.477   2.392
  851   2HB   ASP 108          2HB       ASP 108 -19.185  11.685   0.869
  852    H    TYR 109           H        TYR 109 -19.151   8.906   0.758
  853    HA   TYR 109           HA       TYR 109 -18.149   9.167  -1.915
  854   1HB   TYR 109          1HB       TYR 109 -17.658   7.688   0.510
  855   2HB   TYR 109          2HB       TYR 109 -17.599   6.576  -0.858
  856    HD1  TYR 109           HD1      TYR 109 -15.315   6.197  -1.292
  857    HD2  TYR 109           HD2      TYR 109 -16.714  10.208  -0.658
  858    HE1  TYR 109           HE1      TYR 109 -13.081   7.075  -1.911
  859    HE2  TYR 109           HE2      TYR 109 -14.479  11.085  -1.278
  860    HH   TYR 109           HH       TYR 109 -11.814   9.526  -1.220
  861    H    TRP 110           H        TRP 110 -19.568   8.800  -3.593
  862    HA   TRP 110           HA       TRP 110 -20.988   7.621  -5.051
  863   1HB   TRP 110          1HB       TRP 110 -19.262   5.648  -3.625
  864   2HB   TRP 110          2HB       TRP 110 -20.611   4.994  -4.553
  865    HD1  TRP 110           HD1      TRP 110 -17.410   7.051  -4.956
  866    HE1  TRP 110           HE1      TRP 110 -16.724   7.035  -7.441
  867    HE3  TRP 110           HE3      TRP 110 -21.465   4.693  -6.976
  868    HZ2  TRP 110           HZ2      TRP 110 -17.758   6.141  -9.953
  869    HZ3  TRP 110           HZ3      TRP 110 -21.588   4.272  -9.415
  870    HH2  TRP 110           HH2      TRP 110 -19.742   4.992 -10.905
  871    H    LEU 111           H        LEU 111 -21.259   5.139  -2.541
  872    HA   LEU 111           HA       LEU 111 -24.025   4.833  -2.635
  873   1HB   LEU 111          1HB       LEU 111 -22.069   3.624  -1.349
  874   2HB   LEU 111          2HB       LEU 111 -22.528   4.696  -0.026
  875    HG   LEU 111           HG       LEU 111 -24.799   3.370  -1.367
  876   1HD1  LEU 111          1HD1      LEU 111 -22.486   1.835  -0.388
  877   2HD1  LEU 111          2HD1      LEU 111 -23.835   1.313  -1.396
  878   3HD1  LEU 111          3HD1      LEU 111 -24.014   1.367   0.357
  879   1HD2  LEU 111          1HD2      LEU 111 -24.310   3.052   1.524
  880   2HD2  LEU 111          2HD2      LEU 111 -25.734   3.663   0.683
  881   3HD2  LEU 111          3HD2      LEU 111 -24.358   4.726   0.972
  882    H    SER 112           H        SER 112 -25.575   5.389  -0.765
  883    HA   SER 112           HA       SER 112 -26.786   7.020   0.423
  884   1HB   SER 112          1HB       SER 112 -24.496   6.816   1.639
  885   2HB   SER 112          2HB       SER 112 -24.105   8.351   0.863
  886    HG   SER 112           HG       SER 112 -25.890   7.782   2.895
  887    H    ARG 113           H        ARG 113 -26.924   7.485  -2.258
  888    HA   ARG 113           HA       ARG 113 -27.501  10.226  -2.474
  889   1HB   ARG 113          1HB       ARG 113 -24.734   9.615  -2.706
  890   2HB   ARG 113          2HB       ARG 113 -25.313  10.186  -4.271
  891   1HG   ARG 113          1HG       ARG 113 -26.136  11.676  -1.805
  892   2HG   ARG 113          2HG       ARG 113 -24.504  11.911  -2.431
  893   1HD   ARG 113          1HD       ARG 113 -25.512  13.479  -3.772
  894   2HD   ARG 113          2HD       ARG 113 -26.007  12.074  -4.733
  895    HE   ARG 113           HE       ARG 113 -28.200  12.373  -3.904
  896   1HH1  ARG 113          1HH1      ARG 113 -25.884  13.971  -1.854
  897   2HH1  ARG 113          2HH1      ARG 113 -27.099  14.678  -0.846
  898   1HH2  ARG 113          1HH2      ARG 113 -29.758  13.303  -2.581
  899   2HH2  ARG 113          2HH2      ARG 113 -29.275  14.304  -1.252
  900    HA   PRO 114           HA       PRO 114 -27.738   8.379  -6.803
  901   1HB   PRO 114          1HB       PRO 114 -26.407   6.055  -7.358
  902   2HB   PRO 114          2HB       PRO 114 -25.626   7.644  -7.446
  903   1HG   PRO 114          1HG       PRO 114 -25.474   5.566  -5.322
  904   2HG   PRO 114          2HG       PRO 114 -24.217   6.653  -5.929
  905   1HD   PRO 114          1HD       PRO 114 -25.631   7.041  -3.584
  906   2HD   PRO 114          2HD       PRO 114 -24.822   8.324  -4.485
  907    H    ARG 115           H        ARG 115 -28.515   6.861  -3.986
  908    HA   ARG 115           HA       ARG 115 -30.161   5.279  -3.396
  909   1HB   ARG 115          1HB       ARG 115 -30.888   6.568  -5.911
  910   2HB   ARG 115          2HB       ARG 115 -31.554   4.938  -5.813
  911   1HG   ARG 115          1HG       ARG 115 -33.213   6.126  -4.710
  912   2HG   ARG 115          2HG       ARG 115 -32.175   5.705  -3.349
  913   1HD   ARG 115          1HD       ARG 115 -31.003   8.034  -4.228
  914   2HD   ARG 115          2HD       ARG 115 -32.721   8.351  -4.535
  915    HE   ARG 115           HE       ARG 115 -32.530   7.113  -1.991
  916   1HH1  ARG 115          1HH1      ARG 115 -31.552  10.058  -3.568
  917   2HH1  ARG 115          2HH1      ARG 115 -31.603  10.985  -2.110
  918   1HH2  ARG 115          1HH2      ARG 115 -32.589   8.338  -0.111
  919   2HH2  ARG 115          2HH2      ARG 115 -32.186  10.021  -0.166
  920    H    LEU 116           H        LEU 116 -30.942   3.008  -3.993
  921    HA   LEU 116           HA       LEU 116 -28.856   1.597  -5.627
  922   1HB   LEU 116          1HB       LEU 116 -29.815   1.336  -2.868
  923   2HB   LEU 116          2HB       LEU 116 -29.872  -0.195  -3.741
  924    HG   LEU 116           HG       LEU 116 -27.682   0.096  -2.653
  925   1HD1  LEU 116          1HD1      LEU 116 -28.124  -0.278  -5.484
  926   2HD1  LEU 116          2HD1      LEU 116 -26.945  -1.066  -4.436
  927   3HD1  LEU 116          3HD1      LEU 116 -26.548   0.466  -5.213
  928   1HD2  LEU 116          1HD2      LEU 116 -28.004   2.750  -3.162
  929   2HD2  LEU 116          2HD2      LEU 116 -26.894   2.308  -4.460
  930   3HD2  LEU 116          3HD2      LEU 116 -26.448   2.014  -2.779
  931    H    THR 117           H        THR 117 -29.706   0.457  -7.314
  932    HA   THR 117           HA       THR 117 -32.326  -0.875  -7.068
  933    HB   THR 117           HB       THR 117 -31.767   1.349  -9.068
  934    HG1  THR 117           HG1      THR 117 -33.261   2.484  -7.892
  935   1HG2  THR 117          1HG2      THR 117 -34.509   0.676  -8.969
  936   2HG2  THR 117          2HG2      THR 117 -33.638  -0.854  -9.070
  937   3HG2  THR 117          3HG2      THR 117 -33.388   0.386 -10.299
  938    H    GLN 118           H        GLN 118 -31.316  -2.848  -7.602
  939    HA   GLN 118           HA       GLN 118 -30.371  -4.493  -9.007
  940   1HB   GLN 118          1HB       GLN 118 -32.298  -3.418 -10.365
  941   2HB   GLN 118          2HB       GLN 118 -31.031  -2.557 -11.240
  942   1HG   GLN 118          1HG       GLN 118 -30.353  -5.360 -11.003
  943   2HG   GLN 118          2HG       GLN 118 -31.951  -5.180 -11.727
  944   1HE2  GLN 118          1HE2      GLN 118 -31.760  -2.916 -13.267
  945   2HE2  GLN 118          2HE2      GLN 118 -30.525  -3.063 -14.421
  946    H    ASN 119           H        ASN 119 -28.157  -4.491  -8.627
  947    HA   ASN 119           HA       ASN 119 -25.872  -3.994  -8.954
  948   1HB   ASN 119          1HB       ASN 119 -27.339  -3.676 -11.517
  949   2HB   ASN 119          2HB       ASN 119 -25.730  -2.955 -11.479
  950   1HD2  ASN 119          1HD2      ASN 119 -24.151  -4.655 -10.103
  951   2HD2  ASN 119          2HD2      ASN 119 -24.195  -6.229 -10.736
  952   1H    GLY 201          1H        GLY 201 -30.104  22.603   2.249
  953   2H    GLY 201          2H        GLY 201 -31.380  23.387   3.050
  954   3H    GLY 201          3H        GLY 201 -30.041  22.827   3.931
  955   1HA   GLY 201          1HA       GLY 201 -30.296  25.347   3.216
  956   2HA   GLY 201          2HA       GLY 201 -28.726  24.554   3.354
  957    H    LYS 202           H        LYS 202 -28.384  23.098   1.171
  958    HA   LYS 202           HA       LYS 202 -27.801  23.266  -1.113
  959   1HB   LYS 202          1HB       LYS 202 -30.602  24.119  -0.699
  960   2HB   LYS 202          2HB       LYS 202 -29.903  24.660  -2.225
  961   1HG   LYS 202          1HG       LYS 202 -29.055  22.182  -2.400
  962   2HG   LYS 202          2HG       LYS 202 -30.331  21.856  -1.227
  963   1HD   LYS 202          1HD       LYS 202 -31.859  23.200  -2.842
  964   2HD   LYS 202          2HD       LYS 202 -30.582  22.939  -4.030
  965   1HE   LYS 202          1HE       LYS 202 -31.129  20.737  -4.282
  966   2HE   LYS 202          2HE       LYS 202 -31.342  20.506  -2.536
  967   1HZ   LYS 202          1HZ       LYS 202 -33.232  21.868  -4.390
  968   2HZ   LYS 202          2HZ       LYS 202 -33.423  21.789  -2.704
  969   3HZ   LYS 202          3HZ       LYS 202 -33.478  20.368  -3.633
  970    H    ALA 203           H        ALA 203 -26.323  25.078   0.194
  971    HA   ALA 203           HA       ALA 203 -26.388  27.452  -1.602
  972   1HB   ALA 203          1HB       ALA 203 -27.017  28.847   0.078
  973   2HB   ALA 203          2HB       ALA 203 -25.799  28.173   1.161
  974   3HB   ALA 203          3HB       ALA 203 -27.384  27.409   1.031
  975    HA   PRO 204           HA       PRO 204 -22.005  27.329  -1.583
  976   1HB   PRO 204          1HB       PRO 204 -21.780  29.971  -0.229
  977   2HB   PRO 204          2HB       PRO 204 -21.171  29.469  -1.816
  978   1HG   PRO 204          1HG       PRO 204 -23.290  31.096  -1.531
  979   2HG   PRO 204          2HG       PRO 204 -23.143  29.948  -2.869
  980   1HD   PRO 204          1HD       PRO 204 -24.858  29.822  -0.447
  981   2HD   PRO 204          2HD       PRO 204 -25.150  29.186  -2.079
  982    H    ARG 205           H        ARG 205 -22.704  29.221   1.385
  983    HA   ARG 205           HA       ARG 205 -21.978  28.876   3.607
  984   1HB   ARG 205          1HB       ARG 205 -22.478  26.094   2.505
  985   2HB   ARG 205          2HB       ARG 205 -22.122  26.383   4.208
  986   1HG   ARG 205          1HG       ARG 205 -24.069  27.831   4.416
  987   2HG   ARG 205          2HG       ARG 205 -24.387  27.709   2.686
  988   1HD   ARG 205          1HD       ARG 205 -25.867  26.109   3.608
  989   2HD   ARG 205          2HD       ARG 205 -24.466  25.119   3.159
  990    HE   ARG 205           HE       ARG 205 -24.023  26.166   5.775
  991   1HH1  ARG 205          1HH1      ARG 205 -26.096  23.925   4.102
  992   2HH1  ARG 205          2HH1      ARG 205 -26.336  22.934   5.499
  993   1HH2  ARG 205          1HH2      ARG 205 -24.350  24.864   7.574
  994   2HH2  ARG 205          2HH2      ARG 205 -25.357  23.460   7.450
  995    H    LYS 206           H        LYS 206 -19.932  28.904   1.344
  996    HA   LYS 206           HA       LYS 206 -17.818  27.088   2.332
  997   1HB   LYS 206          1HB       LYS 206 -18.451  27.806  -0.113
  998   2HB   LYS 206          2HB       LYS 206 -17.534  29.266   0.259
  999   1HG   LYS 206          1HG       LYS 206 -15.983  27.062   1.161
 1000   2HG   LYS 206          2HG       LYS 206 -16.543  26.666  -0.464
 1001   1HD   LYS 206          1HD       LYS 206 -15.157  29.245   0.336
 1002   2HD   LYS 206          2HD       LYS 206 -14.400  27.906  -0.528
 1003   1HE   LYS 206          1HE       LYS 206 -15.277  28.597  -2.507
 1004   2HE   LYS 206          2HE       LYS 206 -16.897  28.757  -1.801
 1005   1HZ   LYS 206          1HZ       LYS 206 -16.042  30.801  -0.669
 1006   2HZ   LYS 206          2HZ       LYS 206 -16.155  30.937  -2.358
 1007   3HZ   LYS 206          3HZ       LYS 206 -14.643  30.688  -1.625
 1008    H    GLN 207           H        GLN 207 -17.454  28.029   4.460
 1009    HA   GLN 207           HA       GLN 207 -15.812  30.514   4.348
 1010   1HB   GLN 207          1HB       GLN 207 -18.337  30.807   4.947
 1011   2HB   GLN 207          2HB       GLN 207 -17.902  30.056   6.483
 1012   1HG   GLN 207          1HG       GLN 207 -15.937  31.855   6.384
 1013   2HG   GLN 207          2HG       GLN 207 -17.098  32.712   5.371
 1014   1HE2  GLN 207          1HE2      GLN 207 -17.328  30.744   8.402
 1015   2HE2  GLN 207          2HE2      GLN 207 -18.281  31.877   9.233
 1016    H    LEU 208           H        LEU 208 -14.008  29.031   4.728
 1017    HA   LEU 208           HA       LEU 208 -12.505  27.838   6.104
 1018   1HB   LEU 208          1HB       LEU 208 -13.009  30.074   7.295
 1019   2HB   LEU 208          2HB       LEU 208 -14.073  29.140   8.347
 1020    HG   LEU 208           HG       LEU 208 -12.047  27.589   8.718
 1021   1HD1  LEU 208          1HD1      LEU 208  -9.851  28.687   8.377
 1022   2HD1  LEU 208          2HD1      LEU 208 -10.660  30.040   7.586
 1023   3HD1  LEU 208          3HD1      LEU 208 -10.692  28.439   6.847
 1024   1HD2  LEU 208          1HD2      LEU 208 -11.042  29.248  10.374
 1025   2HD2  LEU 208          2HD2      LEU 208 -12.783  29.005  10.507
 1026   3HD2  LEU 208          3HD2      LEU 208 -12.153  30.447   9.712
 1027    H    ALA 209           H        ALA 209 -15.207  26.629   5.468
 1028    HA   ALA 209           HA       ALA 209 -15.113  24.512   7.558
 1029   1HB   ALA 209          1HB       ALA 209 -17.357  24.822   8.181
 1030   2HB   ALA 209          2HB       ALA 209 -17.759  25.649   6.676
 1031   3HB   ALA 209          3HB       ALA 209 -16.834  26.486   7.923
 1032    H    THR 210           H        THR 210 -14.102  23.586   5.461
 1033    HA   THR 210           HA       THR 210 -16.237  22.673   3.566
 1034    HB   THR 210           HB       THR 210 -14.281  22.337   2.037
 1035    HG1  THR 210           HG1      THR 210 -12.311  22.589   2.760
 1036   1HG2  THR 210          1HG2      THR 210 -15.041  24.931   3.258
 1037   2HG2  THR 210          2HG2      THR 210 -15.073  24.430   1.567
 1038   3HG2  THR 210          3HG2      THR 210 -13.556  24.942   2.306
 1039    H    LYS 211           H        LYS 211 -16.917  20.821   4.771
 1040    HA   LYS 211           HA       LYS 211 -15.149  18.919   5.987
 1041   1HB   LYS 211          1HB       LYS 211 -17.876  19.431   5.772
 1042   2HB   LYS 211          2HB       LYS 211 -17.692  17.897   4.923
 1043   1HG   LYS 211          1HG       LYS 211 -16.308  17.134   6.954
 1044   2HG   LYS 211          2HG       LYS 211 -16.953  18.553   7.780
 1045   1HD   LYS 211          1HD       LYS 211 -19.110  17.719   7.818
 1046   2HD   LYS 211          2HD       LYS 211 -18.880  16.769   6.350
 1047   1HE   LYS 211          1HE       LYS 211 -18.610  14.969   7.717
 1048   2HE   LYS 211          2HE       LYS 211 -17.055  15.680   8.191
 1049   1HZ   LYS 211          1HZ       LYS 211 -19.715  16.114   9.443
 1050   2HZ   LYS 211          2HZ       LYS 211 -18.375  17.107   9.763
 1051   3HZ   LYS 211          3HZ       LYS 211 -18.326  15.458  10.167
 1052    H    ALA 212           H        ALA 212 -15.699  16.449   5.020
 1053    HA   ALA 212           HA       ALA 212 -15.405  16.277   2.113
 1054   1HB   ALA 212          1HB       ALA 212 -13.051  15.078   2.731
 1055   2HB   ALA 212          2HB       ALA 212 -13.109  16.285   4.016
 1056   3HB   ALA 212          3HB       ALA 212 -13.163  16.791   2.328
 1057    H    ALA 213           H        ALA 213 -14.145  14.318   4.834
 1058    HA   ALA 213           HA       ALA 213 -14.589  12.074   5.420
 1059   1HB   ALA 213          1HB       ALA 213 -16.900  11.700   5.750
 1060   2HB   ALA 213          2HB       ALA 213 -17.342  12.585   4.289
 1061   3HB   ALA 213          3HB       ALA 213 -16.796  13.460   5.720
 1062    H    ARG 214           H        ARG 214 -13.198  11.293   3.630
 1063    HA   ARG 214           HA       ARG 214 -14.208  10.736   0.999
 1064   1HB   ARG 214          1HB       ARG 214 -11.950   9.647   2.707
 1065   2HB   ARG 214          2HB       ARG 214 -12.171   9.181   1.021
 1066   1HG   ARG 214          1HG       ARG 214 -11.271  11.117   0.295
 1067   2HG   ARG 214          2HG       ARG 214 -12.332  12.065   1.337
 1068   1HD   ARG 214          1HD       ARG 214 -10.610  11.041   3.192
 1069   2HD   ARG 214          2HD       ARG 214  -9.534  11.199   1.791
 1070    HE   ARG 214           HE       ARG 214 -11.054  13.560   1.854
 1071   1HH1  ARG 214          1HH1      ARG 214  -8.840  11.889   3.959
 1072   2HH1  ARG 214          2HH1      ARG 214  -8.279  13.344   4.705
 1073   1HH2  ARG 214          1HH2      ARG 214 -10.308  15.436   2.840
 1074   2HH2  ARG 214          2HH2      ARG 214  -9.102  15.337   4.079
 1075   1HN   MLZ 215          1HN       MLZ 215 -13.086   8.056   3.034
 1076    HA   MLZ 215           HA       MLZ 215 -15.498   6.515   2.209
 1077   1HB   MLZ 215          1HB       MLZ 215 -12.714   6.031   2.474
 1078   2HB   MLZ 215          2HB       MLZ 215 -13.498   5.061   3.720
 1079   1HG   MLZ 215          1HG       MLZ 215 -14.876   4.998   1.118
 1080   2HG   MLZ 215          2HG       MLZ 215 -14.451   3.670   2.198
 1081   1HD   MLZ 215          1HD       MLZ 215 -12.123   4.951   0.939
 1082   2HD   MLZ 215          2HD       MLZ 215 -12.519   3.239   1.086
 1083   1HE   MLZ 215          1HE       MLZ 215 -13.192   5.156  -1.105
 1084   2HE   MLZ 215          2HE       MLZ 215 -14.400   3.919  -0.710
 1085    HZ   MLZ 215           HZ       MLZ 215 -12.685   2.232  -0.852
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -13.587   2.315  -2.913
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -11.954   2.833  -3.315
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -13.225   4.028  -3.089
 1089    H    SER 216           H        SER 216 -17.152   6.418   3.671
 1090    HA   SER 216           HA       SER 216 -18.278   6.230   5.741
 1091   1HB   SER 216          1HB       SER 216 -16.654   7.830   7.378
 1092   2HB   SER 216          2HB       SER 216 -16.339   8.416   5.744
 1093    HG   SER 216           HG       SER 216 -18.347   9.064   7.184
 1094    H    ALA 217           H        ALA 217 -16.108   4.253   5.199
 1095    HA   ALA 217           HA       ALA 217 -15.021   2.520   6.377
 1096   1HB   ALA 217          1HB       ALA 217 -14.287   5.126   7.616
 1097   2HB   ALA 217          2HB       ALA 217 -13.245   3.873   6.943
 1098   3HB   ALA 217          3HB       ALA 217 -13.905   3.692   8.568
 1099    HA   PRO 218           HA       PRO 218 -17.560   0.947   9.584
 1100   1HB   PRO 218          1HB       PRO 218 -15.283   0.403  11.397
 1101   2HB   PRO 218          2HB       PRO 218 -16.390  -0.740  10.618
 1102   1HG   PRO 218          1HG       PRO 218 -13.815  -0.459   9.872
 1103   2HG   PRO 218          2HG       PRO 218 -15.099  -0.912   8.743
 1104   1HD   PRO 218          1HD       PRO 218 -13.715   1.701   9.088
 1105   2HD   PRO 218          2HD       PRO 218 -14.345   0.937   7.613
 1106    H    ALA 219           H        ALA 219 -17.567   1.017  12.293
 1107    HA   ALA 219           HA       ALA 219 -17.748   3.913  12.874
 1108   1HB   ALA 219          1HB       ALA 219 -19.393   1.882  13.383
 1109   2HB   ALA 219          2HB       ALA 219 -19.243   3.213  14.531
 1110   3HB   ALA 219          3HB       ALA 219 -18.376   1.703  14.813
 1111    H    THR 220           H        THR 220 -16.715   4.835  14.775
 1112    HA   THR 220           HA       THR 220 -14.588   3.233  16.087
 1113    HB   THR 220           HB       THR 220 -13.571   4.133  14.042
 1114    HG1  THR 220           HG1      THR 220 -12.784   5.827  16.157
 1115   1HG2  THR 220          1HG2      THR 220 -15.147   6.488  14.837
 1116   2HG2  THR 220          2HG2      THR 220 -14.591   5.995  13.237
 1117   3HG2  THR 220          3HG2      THR 220 -13.507   6.874  14.315
 1118    H    GLY 221           H        GLY 221 -16.658   3.959  17.561
 1119   1HA   GLY 221          1HA       GLY 221 -15.598   5.872  19.444
 1120   2HA   GLY 221          2HA       GLY 221 -16.942   6.568  18.539
 1121   1H    MET   1          1H        MET   1   0.014 -11.715   7.589
 1122   2H    MET   1          2H        MET   1  -0.477 -12.547   6.192
 1123   3H    MET   1          3H        MET   1  -1.088 -10.996   6.516
 1124    HA   MET   1           HA       MET   1   0.528 -10.596   4.897
 1125   1HB   MET   1          1HB       MET   1   1.083 -10.080   7.757
 1126   2HB   MET   1          2HB       MET   1   2.482  -9.879   6.704
 1127   1HG   MET   1          1HG       MET   1   0.652  -8.594   5.214
 1128   2HG   MET   1          2HG       MET   1  -0.050  -8.323   6.809
 1129   1HE   MET   1          1HE       MET   1   2.994  -7.357   4.377
 1130   2HE   MET   1          2HE       MET   1   2.661  -5.696   4.868
 1131   3HE   MET   1          3HE       MET   1   1.337  -6.752   4.374
 1132    H    PHE   2           H        PHE   2   2.201 -12.381   7.525
 1133    HA   PHE   2           HA       PHE   2   4.464 -13.178   6.033
 1134   1HB   PHE   2          1HB       PHE   2   4.668 -14.874   7.828
 1135   2HB   PHE   2          2HB       PHE   2   4.154 -13.325   8.495
 1136    HD1  PHE   2           HD1      PHE   2   1.967 -13.033   9.459
 1137    HD2  PHE   2           HD2      PHE   2   3.020 -16.714   7.512
 1138    HE1  PHE   2           HE1      PHE   2  -0.070 -14.104  10.382
 1139    HE2  PHE   2           HE2      PHE   2   0.983 -17.785   8.435
 1140    HZ   PHE   2           HZ       PHE   2  -0.562 -16.481   9.870
 1141    H    ASN   3           H        ASN   3   4.860 -14.904   4.645
 1142    HA   ASN   3           HA       ASN   3   2.590 -16.784   4.098
 1143   1HB   ASN   3          1HB       ASN   3   3.228 -16.528   1.680
 1144   2HB   ASN   3          2HB       ASN   3   2.673 -15.016   2.398
 1145   1HD2  ASN   3          1HD2      ASN   3   4.252 -14.698   0.181
 1146   2HD2  ASN   3          2HD2      ASN   3   5.820 -14.206   0.608
 1147    H    ASP   4           H        ASP   4   3.375 -18.801   2.984
 1148    HA   ASP   4           HA       ASP   4   5.423 -20.143   4.329
 1149   1HB   ASP   4          1HB       ASP   4   3.618 -21.039   2.793
 1150   2HB   ASP   4          2HB       ASP   4   4.606 -20.521   1.426
 1151    H    ARG   5           H        ARG   5   5.714 -17.868   1.681
 1152    HA   ARG   5           HA       ARG   5   8.416 -18.655   0.915
 1153   1HB   ARG   5          1HB       ARG   5   6.703 -16.190   0.431
 1154   2HB   ARG   5          2HB       ARG   5   8.228 -16.514  -0.394
 1155   1HG   ARG   5          1HG       ARG   5   6.134 -18.652  -0.413
 1156   2HG   ARG   5          2HG       ARG   5   5.904 -17.254  -1.465
 1157   1HD   ARG   5          1HD       ARG   5   8.645 -18.340  -1.538
 1158   2HD   ARG   5          2HD       ARG   5   7.409 -19.463  -2.135
 1159    HE   ARG   5           HE       ARG   5   8.169 -16.937  -3.385
 1160   1HH1  ARG   5          1HH1      ARG   5   5.581 -19.204  -2.853
 1161   2HH1  ARG   5          2HH1      ARG   5   4.727 -18.732  -4.281
 1162   1HH2  ARG   5          1HH2      ARG   5   7.041 -16.341  -5.232
 1163   2HH2  ARG   5          2HH2      ARG   5   5.545 -17.123  -5.619
 1164    H    VAL   6           H        VAL   6   7.020 -15.978   2.843
 1165    HA   VAL   6           HA       VAL   6   9.578 -15.750   4.322
 1166    HB   VAL   6           HB       VAL   6   9.686 -13.309   3.741
 1167   1HG1  VAL   6          1HG1      VAL   6  10.867 -15.172   2.428
 1168   2HG1  VAL   6          2HG1      VAL   6  10.672 -13.629   1.596
 1169   3HG1  VAL   6          3HG1      VAL   6   9.597 -14.976   1.220
 1170   1HG2  VAL   6          1HG2      VAL   6   7.606 -13.966   1.644
 1171   2HG2  VAL   6          2HG2      VAL   6   8.256 -12.381   2.063
 1172   3HG2  VAL   6          3HG2      VAL   6   7.193 -13.224   3.190
 1173    H    ILE   7           H        ILE   7   9.169 -13.530   5.774
 1174    HA   ILE   7           HA       ILE   7   6.361 -13.511   6.762
 1175    HB   ILE   7           HB       ILE   7   7.619 -15.287   7.971
 1176   1HG1  ILE   7          1HG1      ILE   7   7.472 -13.154  10.029
 1177   2HG1  ILE   7          2HG1      ILE   7   6.014 -13.390   9.065
 1178   1HG2  ILE   7          1HG2      ILE   7   9.795 -13.737   7.654
 1179   2HG2  ILE   7          2HG2      ILE   7   9.682 -14.953   8.926
 1180   3HG2  ILE   7          3HG2      ILE   7   9.353 -13.260   9.293
 1181   1HD1  ILE   7          1HD1      ILE   7   6.627 -14.863  11.280
 1182   2HD1  ILE   7          2HD1      ILE   7   7.305 -15.880  10.008
 1183   3HD1  ILE   7          3HD1      ILE   7   5.597 -15.442   9.971
 1184    H    VAL   8           H        VAL   8   5.811 -11.489   7.666
 1185    HA   VAL   8           HA       VAL   8   7.761  -9.322   7.205
 1186    HB   VAL   8           HB       VAL   8   4.849  -9.391   8.074
 1187   1HG1  VAL   8          1HG1      VAL   8   4.857  -6.986   7.467
 1188   2HG1  VAL   8          2HG1      VAL   8   6.593  -7.077   7.172
 1189   3HG1  VAL   8          3HG1      VAL   8   5.962  -7.320   8.801
 1190   1HG2  VAL   8          1HG2      VAL   8   4.455  -9.808   5.895
 1191   2HG2  VAL   8          2HG2      VAL   8   6.178  -9.720   5.531
 1192   3HG2  VAL   8          3HG2      VAL   8   5.196  -8.255   5.508
 1193    H    LYS   9           H        LYS   9   9.099  -8.713   8.828
 1194    HA   LYS   9           HA       LYS   9   8.094  -8.861  11.644
 1195   1HB   LYS   9          1HB       LYS   9  10.871  -9.230  10.474
 1196   2HB   LYS   9          2HB       LYS   9  10.514  -9.241  12.200
 1197   1HG   LYS   9          1HG       LYS   9   8.693 -11.049  11.368
 1198   2HG   LYS   9          2HG       LYS   9   9.924 -11.293  10.129
 1199   1HD   LYS   9          1HD       LYS   9  11.451 -12.126  11.623
 1200   2HD   LYS   9          2HD       LYS   9  10.892 -11.086  12.930
 1201   1HE   LYS   9          1HE       LYS   9   8.696 -12.698  12.517
 1202   2HE   LYS   9          2HE       LYS   9  10.044 -13.813  12.223
 1203   1HZ   LYS   9          1HZ       LYS   9  11.078 -12.811  14.280
 1204   2HZ   LYS   9          2HZ       LYS   9   9.721 -13.795  14.551
 1205   3HZ   LYS   9          3HZ       LYS   9   9.568 -12.105  14.603
 1206    H    LYS  10           H        LYS  10   9.174  -5.463  12.189
 1207    HA   LYS  10           HA       LYS  10   8.240  -6.296  14.154
 1208   1HB   LYS  10          1HB       LYS  10   6.798  -7.334  11.825
 1209   2HB   LYS  10          2HB       LYS  10   6.555  -8.309  13.276
 1210   1HG   LYS  10          1HG       LYS  10   4.884  -6.542  13.221
 1211   2HG   LYS  10          2HG       LYS  10   6.013  -6.214  14.531
 1212   1HD   LYS  10          1HD       LYS  10   6.983  -5.048  12.070
 1213   2HD   LYS  10          2HD       LYS  10   5.337  -4.499  12.390
 1214   1HE   LYS  10          1HE       LYS  10   7.301  -4.526  14.663
 1215   2HE   LYS  10          2HE       LYS  10   7.383  -3.212  13.475
 1216   1HZ   LYS  10          1HZ       LYS  10   4.846  -4.104  14.735
 1217   2HZ   LYS  10          2HZ       LYS  10   5.115  -2.692  13.831
 1218   3HZ   LYS  10          3HZ       LYS  10   5.792  -2.850  15.380
 1219    H    SER  11           H        SER  11  10.506  -7.186  14.517
 1220    HA   SER  11           HA       SER  11  10.490 -10.183  14.600
 1221   1HB   SER  11          1HB       SER  11  12.273  -8.376  13.495
 1222   2HB   SER  11          2HB       SER  11  13.010  -8.715  15.061
 1223    HG   SER  11           HG       SER  11  13.725 -10.390  14.000
 1224    HA   PRO  12           HA       PRO  12  10.988  -9.954  18.977
 1225   1HB   PRO  12          1HB       PRO  12  13.113 -11.559  19.601
 1226   2HB   PRO  12          2HB       PRO  12  11.590 -12.197  18.959
 1227   1HG   PRO  12          1HG       PRO  12  14.200 -11.841  17.631
 1228   2HG   PRO  12          2HG       PRO  12  12.912 -13.004  17.298
 1229   1HD   PRO  12          1HD       PRO  12  13.474 -10.633  15.878
 1230   2HD   PRO  12          2HD       PRO  12  12.054 -11.679  15.683
 1231    H    LEU  13           H        LEU  13  13.202  -8.313  17.177
 1232    HA   LEU  13           HA       LEU  13  14.668  -7.331  19.604
 1233   1HB   LEU  13          1HB       LEU  13  15.571  -7.560  16.707
 1234   2HB   LEU  13          2HB       LEU  13  16.555  -6.943  18.033
 1235    HG   LEU  13           HG       LEU  13  15.324  -9.708  18.064
 1236   1HD1  LEU  13          1HD1      LEU  13  17.517 -10.555  17.358
 1237   2HD1  LEU  13          2HD1      LEU  13  18.128  -8.906  17.225
 1238   3HD1  LEU  13          3HD1      LEU  13  16.867  -9.470  16.129
 1239   1HD2  LEU  13          1HD2      LEU  13  17.498  -9.860  19.615
 1240   2HD2  LEU  13          2HD2      LEU  13  15.954  -9.285  20.243
 1241   3HD2  LEU  13          3HD2      LEU  13  17.199  -8.129  19.770
 1242    H    GLY  14           H        GLY  14  13.392  -6.459  16.384
 1243   1HA   GLY  14          1HA       GLY  14  11.936  -4.311  16.610
 1244   2HA   GLY  14          2HA       GLY  14  13.428  -3.595  17.219
 1245    H    GLY  15           H        GLY  15  11.935  -2.866  14.783
 1246   1HA   GLY  15          1HA       GLY  15  13.165  -1.901  12.854
 1247   2HA   GLY  15          2HA       GLY  15  14.112  -3.388  12.800
 1248    H    TYR  16           H        TYR  16  11.748  -1.833  11.180
 1249    HA   TYR  16           HA       TYR  16  10.016  -4.179  10.656
 1250   1HB   TYR  16          1HB       TYR  16   9.635  -1.461  10.783
 1251   2HB   TYR  16          2HB       TYR  16   9.775  -1.707   9.043
 1252    HD1  TYR  16           HD1      TYR  16   8.572  -4.207   8.447
 1253    HD2  TYR  16           HD2      TYR  16   7.404  -1.354  11.440
 1254    HE1  TYR  16           HE1      TYR  16   6.255  -5.091   8.387
 1255    HE2  TYR  16           HE2      TYR  16   5.088  -2.239  11.379
 1256    HH   TYR  16           HH       TYR  16   4.277  -5.148   9.627
 1257    H    GLY  17           H        GLY  17  11.083  -5.654   9.363
 1258   1HA   GLY  17          1HA       GLY  17  11.861  -4.762   6.653
 1259   2HA   GLY  17          2HA       GLY  17  13.101  -5.590   7.599
 1260    H    VAL  18           H        VAL  18  12.764  -7.146   5.626
 1261    HA   VAL  18           HA       VAL  18  10.406  -8.923   6.100
 1262    HB   VAL  18           HB       VAL  18  12.351  -8.566   3.793
 1263   1HG1  VAL  18          1HG1      VAL  18  10.053 -10.499   4.194
 1264   2HG1  VAL  18          2HG1      VAL  18  11.725 -10.882   3.782
 1265   3HG1  VAL  18          3HG1      VAL  18  10.684 -10.092   2.598
 1266   1HG2  VAL  18          1HG2      VAL  18  10.147  -7.889   2.663
 1267   2HG2  VAL  18          2HG2      VAL  18  10.813  -6.754   3.836
 1268   3HG2  VAL  18          3HG2      VAL  18   9.470  -7.804   4.288
 1269    H    PHE  19           H        PHE  19  10.722 -11.125   6.529
 1270    HA   PHE  19           HA       PHE  19  13.526 -11.925   7.222
 1271   1HB   PHE  19          1HB       PHE  19  10.856 -12.206   8.434
 1272   2HB   PHE  19          2HB       PHE  19  11.769 -13.715   8.407
 1273    HD1  PHE  19           HD1      PHE  19  12.234 -10.072   9.182
 1274    HD2  PHE  19           HD2      PHE  19  13.288 -14.127  10.131
 1275    HE1  PHE  19           HE1      PHE  19  13.595  -9.271  11.094
 1276    HE2  PHE  19           HE2      PHE  19  14.650 -13.325  12.042
 1277    HZ   PHE  19           HZ       PHE  19  14.805 -10.899  12.520
 1278    H    ALA  20           H        ALA  20  14.384 -13.343   5.756
 1279    HA   ALA  20           HA       ALA  20  12.611 -14.733   3.855
 1280   1HB   ALA  20          1HB       ALA  20  15.261 -13.673   3.964
 1281   2HB   ALA  20          2HB       ALA  20  14.432 -14.355   2.566
 1282   3HB   ALA  20          3HB       ALA  20  15.399 -15.395   3.612
 1283    H    ARG  21           H        ARG  21  11.630 -16.359   5.229
 1284    HA   ARG  21           HA       ARG  21  13.031 -18.183   6.915
 1285   1HB   ARG  21          1HB       ARG  21  10.432 -17.699   6.001
 1286   2HB   ARG  21          2HB       ARG  21  10.794 -19.320   5.408
 1287   1HG   ARG  21          1HG       ARG  21   9.935 -19.702   7.574
 1288   2HG   ARG  21          2HG       ARG  21  11.682 -19.767   7.804
 1289   1HD   ARG  21          1HD       ARG  21  11.035 -17.045   8.072
 1290   2HD   ARG  21          2HD       ARG  21   9.766 -17.912   8.959
 1291    HE   ARG  21           HE       ARG  21  12.605 -17.853   9.652
 1292   1HH1  ARG  21          1HH1      ARG  21   9.651 -19.690   9.784
 1293   2HH1  ARG  21          2HH1      ARG  21  10.147 -20.596  11.171
 1294   1HH2  ARG  21          1HH2      ARG  21  13.226 -19.041  11.452
 1295   2HH2  ARG  21          2HH2      ARG  21  12.156 -20.233  12.110
 1296    H    LYS  22           H        LYS  22  12.769 -17.935   3.447
 1297    HA   LYS  22           HA       LYS  22  13.918 -20.643   3.008
 1298   1HB   LYS  22          1HB       LYS  22  13.058 -18.435   1.091
 1299   2HB   LYS  22          2HB       LYS  22  13.373 -20.113   0.662
 1300   1HG   LYS  22          1HG       LYS  22  11.545 -20.721   2.365
 1301   2HG   LYS  22          2HG       LYS  22  11.107 -19.013   2.322
 1302   1HD   LYS  22          1HD       LYS  22   9.761 -20.309   0.709
 1303   2HD   LYS  22          2HD       LYS  22  10.801 -19.154  -0.124
 1304   1HE   LYS  22          1HE       LYS  22  12.005 -20.810  -1.138
 1305   2HE   LYS  22          2HE       LYS  22  12.051 -21.795   0.337
 1306   1HZ   LYS  22          1HZ       LYS  22  10.636 -22.896  -1.221
 1307   2HZ   LYS  22          2HZ       LYS  22   9.773 -21.470  -1.548
 1308   3HZ   LYS  22          3HZ       LYS  22   9.634 -22.218  -0.029
 1309    H    SER  23           H        SER  23  17.005 -19.310   1.454
 1310    HA   SER  23           HA       SER  23  14.791 -21.309   1.236
 1311   1HB   SER  23          1HB       SER  23  17.175 -21.945   1.860
 1312   2HB   SER  23          2HB       SER  23  16.550 -22.773   0.433
 1313    HG   SER  23           HG       SER  23  17.890 -21.706  -0.802
 1314    H    PHE  24           H        PHE  24  16.564 -18.837  -0.482
 1315    HA   PHE  24           HA       PHE  24  14.905 -19.402  -2.912
 1316   1HB   PHE  24          1HB       PHE  24  15.955 -16.939  -1.523
 1317   2HB   PHE  24          2HB       PHE  24  15.525 -16.859  -3.231
 1318    HD1  PHE  24           HD1      PHE  24  14.264 -15.973  -0.241
 1319    HD2  PHE  24           HD2      PHE  24  13.206 -18.514  -3.539
 1320    HE1  PHE  24           HE1      PHE  24  11.870 -15.768   0.370
 1321    HE2  PHE  24           HE2      PHE  24  10.811 -18.309  -2.928
 1322    HZ   PHE  24           HZ       PHE  24  10.144 -16.936  -0.973
 1323    H    GLU  25           H        GLU  25  15.947 -18.918  -5.003
 1324    HA   GLU  25           HA       GLU  25  18.805 -19.690  -5.011
 1325   1HB   GLU  25          1HB       GLU  25  16.487 -20.074  -6.622
 1326   2HB   GLU  25          2HB       GLU  25  17.642 -19.171  -7.602
 1327   1HG   GLU  25          1HG       GLU  25  19.393 -20.881  -6.867
 1328   2HG   GLU  25          2HG       GLU  25  18.055 -21.839  -6.235
 1329    H    LYS  26           H        LYS  26  19.480 -18.397  -7.474
 1330    HA   LYS  26           HA       LYS  26  19.914 -15.631  -6.464
 1331   1HB   LYS  26          1HB       LYS  26  21.775 -17.190  -7.175
 1332   2HB   LYS  26          2HB       LYS  26  21.134 -17.119  -8.816
 1333   1HG   LYS  26          1HG       LYS  26  21.454 -14.679  -8.848
 1334   2HG   LYS  26          2HG       LYS  26  22.064 -14.729  -7.193
 1335   1HD   LYS  26          1HD       LYS  26  24.020 -15.900  -7.829
 1336   2HD   LYS  26          2HD       LYS  26  23.331 -16.380  -9.380
 1337   1HE   LYS  26          1HE       LYS  26  23.618 -14.229 -10.310
 1338   2HE   LYS  26          2HE       LYS  26  23.739 -13.459  -8.716
 1339   1HZ   LYS  26          1HZ       LYS  26  25.651 -15.550  -9.572
 1340   2HZ   LYS  26          2HZ       LYS  26  25.833 -14.387  -8.347
 1341   3HZ   LYS  26          3HZ       LYS  26  25.906 -13.921  -9.978
 1342    H    GLY  27           H        GLY  27  17.531 -15.210  -7.093
 1343   1HA   GLY  27          1HA       GLY  27  16.621 -13.528  -8.674
 1344   2HA   GLY  27          2HA       GLY  27  17.445 -14.396  -9.969
 1345    H    GLU  28           H        GLU  28  14.857 -14.755  -7.541
 1346    HA   GLU  28           HA       GLU  28  13.405 -16.474  -9.513
 1347   1HB   GLU  28          1HB       GLU  28  14.062 -16.982  -6.600
 1348   2HB   GLU  28          2HB       GLU  28  12.753 -17.836  -7.417
 1349   1HG   GLU  28          1HG       GLU  28  15.285 -17.789  -8.924
 1350   2HG   GLU  28          2HG       GLU  28  15.374 -18.661  -7.393
 1351    H    LEU  29           H        LEU  29  13.251 -13.608  -8.225
 1352    HA   LEU  29           HA       LEU  29  11.514 -12.129  -7.644
 1353   1HB   LEU  29          1HB       LEU  29  10.564 -13.437  -9.632
 1354   2HB   LEU  29          2HB       LEU  29   9.710 -14.428  -8.450
 1355    HG   LEU  29           HG       LEU  29   8.778 -12.253  -7.495
 1356   1HD1  LEU  29          1HD1      LEU  29  10.653 -11.068  -9.073
 1357   2HD1  LEU  29          2HD1      LEU  29   9.202 -10.246  -8.501
 1358   3HD1  LEU  29          3HD1      LEU  29   9.237 -10.952 -10.117
 1359   1HD2  LEU  29          1HD2      LEU  29   8.135 -13.299 -10.247
 1360   2HD2  LEU  29          2HD2      LEU  29   7.210 -11.966  -9.555
 1361   3HD2  LEU  29          3HD2      LEU  29   7.244 -13.531  -8.742
 1362    H    VAL  30           H        VAL  30  10.213 -11.676  -5.807
 1363    HA   VAL  30           HA       VAL  30   9.864 -13.951  -3.881
 1364    HB   VAL  30           HB       VAL  30  10.791 -11.088  -3.446
 1365   1HG1  VAL  30          1HG1      VAL  30   9.480 -11.596  -1.532
 1366   2HG1  VAL  30          2HG1      VAL  30  11.131 -11.986  -1.049
 1367   3HG1  VAL  30          3HG1      VAL  30  10.020 -13.275  -1.509
 1368   1HG2  VAL  30          1HG2      VAL  30  12.110 -13.717  -3.712
 1369   2HG2  VAL  30          2HG2      VAL  30  12.655 -12.755  -2.338
 1370   3HG2  VAL  30          3HG2      VAL  30  12.762 -12.099  -3.971
 1371    H    GLU  31           H        GLU  31   8.727 -10.730  -4.906
 1372    HA   GLU  31           HA       GLU  31   5.946 -11.470  -4.492
 1373   1HB   GLU  31          1HB       GLU  31   7.349 -10.783  -2.222
 1374   2HB   GLU  31          2HB       GLU  31   6.660  -9.231  -2.698
 1375   1HG   GLU  31          1HG       GLU  31   4.667  -9.874  -1.876
 1376   2HG   GLU  31          2HG       GLU  31   4.632 -11.211  -3.025
 1377    H    GLU  32           H        GLU  32   4.495  -9.631  -5.053
 1378    HA   GLU  32           HA       GLU  32   5.780  -7.218  -6.189
 1379   1HB   GLU  32          1HB       GLU  32   4.750  -7.723  -8.423
 1380   2HB   GLU  32          2HB       GLU  32   5.961  -8.916  -7.953
 1381   1HG   GLU  32          1HG       GLU  32   3.406  -9.703  -6.892
 1382   2HG   GLU  32          2HG       GLU  32   3.237  -9.378  -8.617
 1383    H    CYS  33           H        CYS  33   4.316  -5.485  -6.302
 1384    HA   CYS  33           HA       CYS  33   1.417  -6.021  -5.936
 1385   1HB   CYS  33          1HB       CYS  33   3.348  -4.974  -3.938
 1386   2HB   CYS  33          2HB       CYS  33   1.837  -4.073  -4.061
 1387    HG   CYS  33           HG       CYS  33   1.569  -6.117  -2.368
 1388    H    LEU  34           H        LEU  34   0.606  -3.416  -5.420
 1389    HA   LEU  34           HA       LEU  34   1.379  -2.053  -7.957
 1390   1HB   LEU  34          1HB       LEU  34  -0.971  -2.070  -6.070
 1391   2HB   LEU  34          2HB       LEU  34  -0.751  -0.703  -7.160
 1392    HG   LEU  34           HG       LEU  34  -0.695  -2.242  -9.087
 1393   1HD1  LEU  34          1HD1      LEU  34   0.121  -4.296  -8.406
 1394   2HD1  LEU  34          2HD1      LEU  34  -1.607  -4.649  -8.375
 1395   3HD1  LEU  34          3HD1      LEU  34  -0.760  -4.256  -6.879
 1396   1HD2  LEU  34          1HD2      LEU  34  -3.140  -3.309  -8.037
 1397   2HD2  LEU  34          2HD2      LEU  34  -2.927  -1.963  -9.157
 1398   3HD2  LEU  34          3HD2      LEU  34  -2.935  -1.670  -7.418
 1399    H    CYS  35           H        CYS  35   1.180   0.487  -7.677
 1400    HA   CYS  35           HA       CYS  35   2.325   1.394  -5.079
 1401   1HB   CYS  35          1HB       CYS  35   4.164   2.507  -6.343
 1402   2HB   CYS  35          2HB       CYS  35   4.196   0.759  -6.572
 1403    HG   CYS  35           HG       CYS  35   2.576   2.123  -8.752
 1404    H    ILE  36           H        ILE  36   2.063   3.704  -4.766
 1405    HA   ILE  36           HA       ILE  36  -0.104   4.869  -6.444
 1406    HB   ILE  36           HB       ILE  36   1.177   5.900  -3.888
 1407   1HG1  ILE  36          1HG1      ILE  36  -1.270   4.131  -4.210
 1408   2HG1  ILE  36          2HG1      ILE  36   0.287   3.602  -3.571
 1409   1HG2  ILE  36          1HG2      ILE  36  -1.061   7.018  -3.661
 1410   2HG2  ILE  36          2HG2      ILE  36  -1.460   6.439  -5.278
 1411   3HG2  ILE  36          3HG2      ILE  36  -0.131   7.575  -5.053
 1412   1HD1  ILE  36          1HD1      ILE  36  -1.684   4.441  -1.961
 1413   2HD1  ILE  36          2HD1      ILE  36  -0.961   6.009  -2.321
 1414   3HD1  ILE  36          3HD1      ILE  36   0.013   4.738  -1.583
 1415    H    VAL  37           H        VAL  37   1.022   5.599  -8.295
 1416    HA   VAL  37           HA       VAL  37   3.499   7.161  -7.995
 1417    HB   VAL  37           HB       VAL  37   1.752   6.460 -10.384
 1418   1HG1  VAL  37          1HG1      VAL  37   4.264   7.974 -10.048
 1419   2HG1  VAL  37          2HG1      VAL  37   3.108   7.993 -11.380
 1420   3HG1  VAL  37          3HG1      VAL  37   4.326   6.722 -11.288
 1421   1HG2  VAL  37          1HG2      VAL  37   4.277   5.055 -10.167
 1422   2HG2  VAL  37          2HG2      VAL  37   2.648   4.393 -10.305
 1423   3HG2  VAL  37          3HG2      VAL  37   3.304   4.800  -8.719
 1424    H    ARG  38           H        ARG  38   3.317   9.285  -7.426
 1425    HA   ARG  38           HA       ARG  38   1.086  10.879  -8.641
 1426   1HB   ARG  38          1HB       ARG  38   1.960  10.405  -5.886
 1427   2HB   ARG  38          2HB       ARG  38   1.852  12.124  -6.264
 1428   1HG   ARG  38          1HG       ARG  38  -0.345  10.093  -6.769
 1429   2HG   ARG  38          2HG       ARG  38  -0.300  11.212  -5.406
 1430   1HD   ARG  38          1HD       ARG  38   0.104  12.571  -7.973
 1431   2HD   ARG  38          2HD       ARG  38  -1.464  11.749  -7.870
 1432    HE   ARG  38           HE       ARG  38  -1.119  12.987  -5.384
 1433   1HH1  ARG  38          1HH1      ARG  38  -1.219  13.988  -8.717
 1434   2HH1  ARG  38          2HH1      ARG  38  -1.853  15.553  -8.342
 1435   1HH2  ARG  38          1HH2      ARG  38  -1.942  15.024  -4.924
 1436   2HH2  ARG  38          2HH2      ARG  38  -2.260  16.137  -6.212
 1437    H    HIS  39           H        HIS  39   1.657  13.009  -9.307
 1438    HA   HIS  39           HA       HIS  39   4.284  13.465 -10.282
 1439   1HB   HIS  39          1HB       HIS  39   1.761  14.982  -9.833
 1440   2HB   HIS  39          2HB       HIS  39   3.212  15.958 -10.058
 1441    HD1  HIS  39           HD1      HIS  39   1.535  16.400 -12.342
 1442    HD2  HIS  39           HD2      HIS  39   3.817  12.918 -12.144
 1443    HE1  HIS  39           HE1      HIS  39   1.735  15.539 -14.715
 1444    H    ASN  40           H        ASN  40   5.850  15.105  -9.533
 1445    HA   ASN  40           HA       ASN  40   6.431  14.896  -6.714
 1446   1HB   ASN  40          1HB       ASN  40   8.260  16.500  -7.365
 1447   2HB   ASN  40          2HB       ASN  40   8.156  15.098  -8.429
 1448   1HD2  ASN  40          1HD2      ASN  40   7.537  15.455 -10.638
 1449   2HD2  ASN  40          2HD2      ASN  40   7.304  17.006 -11.286
 1450    H    ASP  41           H        ASP  41   5.241  15.971  -5.205
 1451    HA   ASP  41           HA       ASP  41   5.065  18.846  -5.143
 1452   1HB   ASP  41          1HB       ASP  41   3.345  17.768  -6.940
 1453   2HB   ASP  41          2HB       ASP  41   2.350  17.646  -5.489
 1454    H    ASP  42           H        ASP  42   2.344  18.625  -3.743
 1455    HA   ASP  42           HA       ASP  42   3.139  18.306  -1.074
 1456   1HB   ASP  42          1HB       ASP  42   0.472  17.618  -2.369
 1457   2HB   ASP  42          2HB       ASP  42   0.712  18.031  -0.671
 1458    H    TRP  43           H        TRP  43   2.421  15.865  -3.465
 1459    HA   TRP  43           HA       TRP  43   1.985  13.620  -1.725
 1460   1HB   TRP  43          1HB       TRP  43   1.339  13.524  -4.028
 1461   2HB   TRP  43          2HB       TRP  43   2.923  14.065  -4.573
 1462    HD1  TRP  43           HD1      TRP  43   4.568  12.272  -5.265
 1463    HE1  TRP  43           HE1      TRP  43   4.701   9.706  -5.039
 1464    HE3  TRP  43           HE3      TRP  43   0.539  11.443  -2.240
 1465    HZ2  TRP  43           HZ2      TRP  43   3.283   7.588  -3.751
 1466    HZ3  TRP  43           HZ3      TRP  43  -0.044   9.141  -1.529
 1467    HH2  TRP  43           HH2      TRP  43   1.321   7.215  -2.279
 1468    H    GLY  44           H        GLY  44   4.928  14.642  -3.519
 1469   1HA   GLY  44          1HA       GLY  44   6.693  12.728  -2.421
 1470   2HA   GLY  44          2HA       GLY  44   7.197  14.308  -3.021
 1471    H    THR  45           H        THR  45   5.533  15.782  -1.094
 1472    HA   THR  45           HA       THR  45   7.422  15.810   1.131
 1473    HB   THR  45           HB       THR  45   4.758  17.230   0.781
 1474    HG1  THR  45           HG1      THR  45   7.348  17.921  -0.146
 1475   1HG2  THR  45          1HG2      THR  45   6.761  18.862   1.943
 1476   2HG2  THR  45          2HG2      THR  45   6.850  17.303   2.763
 1477   3HG2  THR  45          3HG2      THR  45   5.330  18.197   2.731
 1478    H    ALA  46           H        ALA  46   3.846  15.504   1.108
 1479    HA   ALA  46           HA       ALA  46   3.485  14.622   3.741
 1480   1HB   ALA  46          1HB       ALA  46   1.790  15.239   1.939
 1481   2HB   ALA  46          2HB       ALA  46   1.348  13.840   2.918
 1482   3HB   ALA  46          3HB       ALA  46   1.998  13.610   1.294
 1483    H    LEU  47           H        LEU  47   3.900  12.531   0.848
 1484    HA   LEU  47           HA       LEU  47   4.269  10.170   2.599
 1485   1HB   LEU  47          1HB       LEU  47   3.969  10.732  -0.357
 1486   2HB   LEU  47          2HB       LEU  47   4.484   9.140   0.196
 1487    HG   LEU  47           HG       LEU  47   2.063   9.153  -0.093
 1488   1HD1  LEU  47          1HD1      LEU  47   1.944   9.281   2.802
 1489   2HD1  LEU  47          2HD1      LEU  47   3.407   8.453   2.268
 1490   3HD1  LEU  47          3HD1      LEU  47   1.825   7.875   1.744
 1491   1HD2  LEU  47          1HD2      LEU  47   0.643  10.775   0.765
 1492   2HD2  LEU  47          2HD2      LEU  47   2.074  11.746   0.420
 1493   3HD2  LEU  47          3HD2      LEU  47   1.752  11.204   2.067
 1494    H    GLU  48           H        GLU  48   6.332  12.373   2.484
 1495    HA   GLU  48           HA       GLU  48   8.587  11.929   0.967
 1496   1HB   GLU  48          1HB       GLU  48   9.812  12.777   2.970
 1497   2HB   GLU  48          2HB       GLU  48   8.314  13.663   2.691
 1498   1HG   GLU  48          1HG       GLU  48   7.945  13.218   4.900
 1499   2HG   GLU  48          2HG       GLU  48   7.407  11.655   4.288
 1500    H    ASP  49           H        ASP  49   7.352   9.783   3.463
 1501    HA   ASP  49           HA       ASP  49   9.843   8.166   3.385
 1502   1HB   ASP  49          1HB       ASP  49   8.731   7.029   5.308
 1503   2HB   ASP  49          2HB       ASP  49   8.824   8.774   5.549
 1504    H    TYR  50           H        TYR  50   9.769   5.948   2.823
 1505    HA   TYR  50           HA       TYR  50   9.079   4.053   1.611
 1506   1HB   TYR  50          1HB       TYR  50   6.291   5.115   2.179
 1507   2HB   TYR  50          2HB       TYR  50   6.759   3.438   1.917
 1508    HD1  TYR  50           HD1      TYR  50   9.269   3.338   3.575
 1509    HD2  TYR  50           HD2      TYR  50   5.417   5.063   4.378
 1510    HE1  TYR  50           HE1      TYR  50   9.655   3.071   6.010
 1511    HE2  TYR  50           HE2      TYR  50   5.805   4.796   6.812
 1512    HH   TYR  50           HH       TYR  50   8.308   2.883   8.073
 1513    H    LEU  51           H        LEU  51   9.161   6.920   0.324
 1514    HA   LEU  51           HA       LEU  51   7.420   6.339  -2.036
 1515   1HB   LEU  51          1HB       LEU  51   8.525   8.735  -0.665
 1516   2HB   LEU  51          2HB       LEU  51   8.504   8.835  -2.419
 1517    HG   LEU  51           HG       LEU  51   6.135   8.361  -0.588
 1518   1HD1  LEU  51          1HD1      LEU  51   6.836  10.527  -2.597
 1519   2HD1  LEU  51          2HD1      LEU  51   6.854  10.704  -0.844
 1520   3HD1  LEU  51          3HD1      LEU  51   5.329  10.442  -1.689
 1521   1HD2  LEU  51          1HD2      LEU  51   6.534   7.734  -3.452
 1522   2HD2  LEU  51          2HD2      LEU  51   5.082   8.664  -3.085
 1523   3HD2  LEU  51          3HD2      LEU  51   5.344   7.100  -2.315
 1524    H    PHE  52           H        PHE  52   8.411   5.481  -3.803
 1525    HA   PHE  52           HA       PHE  52  11.363   5.604  -4.069
 1526   1HB   PHE  52          1HB       PHE  52   9.052   4.160  -5.362
 1527   2HB   PHE  52          2HB       PHE  52  10.609   4.215  -6.187
 1528    HD1  PHE  52           HD1      PHE  52  12.489   2.949  -5.397
 1529    HD2  PHE  52           HD2      PHE  52   8.879   3.152  -3.079
 1530    HE1  PHE  52           HE1      PHE  52  13.332   1.139  -3.927
 1531    HE2  PHE  52           HE2      PHE  52   9.722   1.342  -1.608
 1532    HZ   PHE  52           HZ       PHE  52  11.949   0.335  -2.032
 1533    H    SER  53           H        SER  53  11.959   7.642  -4.820
 1534    HA   SER  53           HA       SER  53  10.238   9.092  -6.701
 1535   1HB   SER  53          1HB       SER  53  11.772  10.896  -6.239
 1536   2HB   SER  53          2HB       SER  53  11.553  10.024  -4.722
 1537    HG   SER  53           HG       SER  53  13.751  10.110  -6.441
 1538    H    ARG  54           H        ARG  54  10.371   8.746  -8.852
 1539    HA   ARG  54           HA       ARG  54  12.890   7.670 -10.025
 1540   1HB   ARG  54          1HB       ARG  54  10.109   7.249 -10.350
 1541   2HB   ARG  54          2HB       ARG  54  10.649   8.041 -11.830
 1542   1HG   ARG  54          1HG       ARG  54  12.468   6.359 -12.037
 1543   2HG   ARG  54          2HG       ARG  54  11.853   5.545 -10.598
 1544   1HD   ARG  54          1HD       ARG  54  10.889   4.379 -12.469
 1545   2HD   ARG  54          2HD       ARG  54   9.596   5.421 -11.841
 1546    HE   ARG  54           HE       ARG  54  11.259   6.776 -13.814
 1547   1HH1  ARG  54          1HH1      ARG  54   8.574   4.612 -13.359
 1548   2HH1  ARG  54          2HH1      ARG  54   7.851   5.010 -14.879
 1549   1HH2  ARG  54          1HH2      ARG  54  10.305   7.277 -15.784
 1550   2HH2  ARG  54          2HH2      ARG  54   8.823   6.507 -16.244
 1551    H    LYS  55           H        LYS  55  13.190   8.623 -12.403
 1552    HA   LYS  55           HA       LYS  55  13.642  11.491 -12.088
 1553   1HB   LYS  55          1HB       LYS  55  14.228   9.299 -14.038
 1554   2HB   LYS  55          2HB       LYS  55  14.310  10.956 -14.638
 1555   1HG   LYS  55          1HG       LYS  55  16.453  10.829 -13.834
 1556   2HG   LYS  55          2HG       LYS  55  15.665  11.244 -12.312
 1557   1HD   LYS  55          1HD       LYS  55  15.850   9.103 -11.474
 1558   2HD   LYS  55          2HD       LYS  55  15.757   8.358 -13.070
 1559   1HE   LYS  55          1HE       LYS  55  18.076   9.405 -13.509
 1560   2HE   LYS  55          2HE       LYS  55  18.146   9.672 -11.757
 1561   1HZ   LYS  55          1HZ       LYS  55  17.700   7.348 -11.389
 1562   2HZ   LYS  55          2HZ       LYS  55  19.037   7.479 -12.428
 1563   3HZ   LYS  55          3HZ       LYS  55  17.512   7.069 -13.054
 1564    H    ASN  56           H        ASN  56  11.344  12.111 -11.869
 1565    HA   ASN  56           HA       ASN  56   9.676  11.875 -14.310
 1566   1HB   ASN  56          1HB       ASN  56   9.489  14.341 -14.440
 1567   2HB   ASN  56          2HB       ASN  56  10.585  14.499 -13.067
 1568   1HD2  ASN  56          1HD2      ASN  56  12.693  14.937 -13.716
 1569   2HD2  ASN  56          2HD2      ASN  56  13.407  14.394 -15.157
 1570    H    MET  57           H        MET  57   9.699  11.205 -11.262
 1571    HA   MET  57           HA       MET  57   7.650  12.805 -10.015
 1572   1HB   MET  57          1HB       MET  57   5.762  11.229 -10.387
 1573   2HB   MET  57          2HB       MET  57   6.360  11.865 -11.918
 1574   1HG   MET  57          1HG       MET  57   7.948   9.627 -11.498
 1575   2HG   MET  57          2HG       MET  57   6.365   9.114 -10.914
 1576   1HE   MET  57          1HE       MET  57   4.087  10.175 -13.935
 1577   2HE   MET  57          2HE       MET  57   4.652  11.230 -12.639
 1578   3HE   MET  57          3HE       MET  57   4.132   9.585 -12.273
 1579    H    SER  58           H        SER  58   6.312  10.822  -8.563
 1580    HA   SER  58           HA       SER  58   8.427   9.092  -7.375
 1581   1HB   SER  58          1HB       SER  58   7.981  10.011  -5.168
 1582   2HB   SER  58          2HB       SER  58   8.300  11.366  -6.251
 1583    HG   SER  58           HG       SER  58   6.463  11.848  -5.129
 1584    H    ALA  59           H        ALA  59   7.524   7.293  -6.186
 1585    HA   ALA  59           HA       ALA  59   4.557   6.969  -6.372
 1586   1HB   ALA  59          1HB       ALA  59   5.579   4.483  -7.008
 1587   2HB   ALA  59          2HB       ALA  59   6.749   5.564  -7.765
 1588   3HB   ALA  59          3HB       ALA  59   5.042   5.673  -8.194
 1589    H    MET  60           H        MET  60   3.681   5.676  -4.703
 1590    HA   MET  60           HA       MET  60   5.465   5.160  -2.400
 1591   1HB   MET  60          1HB       MET  60   3.289   6.267  -2.097
 1592   2HB   MET  60          2HB       MET  60   2.472   4.912  -2.875
 1593   1HG   MET  60          1HG       MET  60   2.270   4.706  -0.445
 1594   2HG   MET  60          2HG       MET  60   3.290   3.410  -1.070
 1595   1HE   MET  60          1HE       MET  60   2.574   6.006   1.058
 1596   2HE   MET  60          2HE       MET  60   3.797   7.225   0.695
 1597   3HE   MET  60          3HE       MET  60   3.949   6.225   2.141
 1598    H    ALA  61           H        ALA  61   5.672   3.049  -1.443
 1599    HA   ALA  61           HA       ALA  61   5.469   0.829  -3.372
 1600   1HB   ALA  61          1HB       ALA  61   6.862   1.524  -0.877
 1601   2HB   ALA  61          2HB       ALA  61   7.389   0.477  -2.195
 1602   3HB   ALA  61          3HB       ALA  61   6.339  -0.160  -0.929
 1603    H    LEU  62           H        LEU  62   3.441  -0.049  -3.548
 1604    HA   LEU  62           HA       LEU  62   1.453  -1.137  -2.921
 1605   1HB   LEU  62          1HB       LEU  62   0.887   0.060  -0.440
 1606   2HB   LEU  62          2HB       LEU  62   1.833   1.265  -1.314
 1607    HG   LEU  62           HG       LEU  62   0.283   0.793  -3.309
 1608   1HD1  LEU  62          1HD1      LEU  62  -0.691  -1.134  -1.444
 1609   2HD1  LEU  62          2HD1      LEU  62  -1.281  -0.808  -3.073
 1610   3HD1  LEU  62          3HD1      LEU  62  -1.968   0.056  -1.698
 1611   1HD2  LEU  62          1HD2      LEU  62  -1.302   2.417  -2.555
 1612   2HD2  LEU  62          2HD2      LEU  62   0.204   2.787  -1.714
 1613   3HD2  LEU  62          3HD2      LEU  62  -1.092   1.940  -0.870
 1614    H    GLY  63           H        GLY  63   2.637  -3.161  -2.530
 1615   1HA   GLY  63          1HA       GLY  63   2.058  -4.368  -0.043
 1616   2HA   GLY  63          2HA       GLY  63   3.207  -5.015  -1.212
 1617    H    PHE  64           H        PHE  64   4.282  -5.623   0.943
 1618    HA   PHE  64           HA       PHE  64   5.508  -3.530   2.522
 1619   1HB   PHE  64          1HB       PHE  64   6.434  -5.358   3.725
 1620   2HB   PHE  64          2HB       PHE  64   4.878  -5.937   3.150
 1621    HD1  PHE  64           HD1      PHE  64   5.957  -6.276   0.163
 1622    HD2  PHE  64           HD2      PHE  64   7.321  -7.585   4.022
 1623    HE1  PHE  64           HE1      PHE  64   7.096  -8.200  -0.892
 1624    HE2  PHE  64           HE2      PHE  64   8.462  -9.510   2.961
 1625    HZ   PHE  64           HZ       PHE  64   8.351  -9.819   0.504
 1626    H    GLY  65           H        GLY  65   6.227  -2.662   0.118
 1627   1HA   GLY  65          1HA       GLY  65   8.906  -3.727  -0.554
 1628   2HA   GLY  65          2HA       GLY  65   8.021  -2.512  -1.476
 1629    H    ALA  66           H        ALA  66   7.378  -1.125   1.170
 1630    HA   ALA  66           HA       ALA  66   9.825   0.526   1.212
 1631   1HB   ALA  66          1HB       ALA  66   7.484   1.415   0.993
 1632   2HB   ALA  66          2HB       ALA  66   8.348   2.094   2.372
 1633   3HB   ALA  66          3HB       ALA  66   7.149   0.824   2.620
 1634    H    ILE  67           H        ILE  67   8.972  -2.214   2.874
 1635    HA   ILE  67           HA       ILE  67   9.824  -1.217   5.539
 1636    HB   ILE  67           HB       ILE  67   9.484  -3.746   6.090
 1637   1HG1  ILE  67          1HG1      ILE  67   8.059  -4.996   4.639
 1638   2HG1  ILE  67          2HG1      ILE  67   7.857  -3.633   3.544
 1639   1HG2  ILE  67          1HG2      ILE  67   6.895  -3.306   5.916
 1640   2HG2  ILE  67          2HG2      ILE  67   7.409  -1.696   5.412
 1641   3HG2  ILE  67          3HG2      ILE  67   7.891  -2.323   6.988
 1642   1HD1  ILE  67          1HD1      ILE  67   9.544  -5.523   2.920
 1643   2HD1  ILE  67          2HD1      ILE  67  10.595  -4.747   4.102
 1644   3HD1  ILE  67          3HD1      ILE  67  10.032  -3.845   2.694
 1645    H    PHE  68           H        PHE  68  11.319  -2.414   2.740
 1646    HA   PHE  68           HA       PHE  68  13.354  -4.115   3.726
 1647   1HB   PHE  68          1HB       PHE  68  13.488  -1.953   1.590
 1648   2HB   PHE  68          2HB       PHE  68  14.550  -3.354   1.701
 1649    HD1  PHE  68           HD1      PHE  68  12.295  -5.325   2.606
 1650    HD2  PHE  68           HD2      PHE  68  12.596  -2.476  -0.600
 1651    HE1  PHE  68           HE1      PHE  68  10.690  -6.654   1.268
 1652    HE2  PHE  68           HE2      PHE  68  10.988  -3.809  -1.930
 1653    HZ   PHE  68           HZ       PHE  68  10.035  -5.896  -0.996
 1654    H    ASN  69           H        ASN  69  15.116  -3.717   5.033
 1655    HA   ASN  69           HA       ASN  69  15.535  -0.927   5.977
 1656   1HB   ASN  69          1HB       ASN  69  16.536  -3.635   6.936
 1657   2HB   ASN  69          2HB       ASN  69  16.767  -2.109   7.790
 1658   1HD2  ASN  69          1HD2      ASN  69  15.404  -3.895   9.291
 1659   2HD2  ASN  69          2HD2      ASN  69  13.735  -3.587   9.294
 1660    H    HIS  70           H        HIS  70  18.011  -0.588   6.602
 1661    HA   HIS  70           HA       HIS  70  19.515  -0.695   4.084
 1662   1HB   HIS  70          1HB       HIS  70  19.335   1.184   5.878
 1663   2HB   HIS  70          2HB       HIS  70  20.492   0.222   6.797
 1664    HD1  HIS  70           HD1      HIS  70  20.601   3.011   4.748
 1665    HD2  HIS  70           HD2      HIS  70  22.683  -0.599   4.618
 1666    HE1  HIS  70           HE1      HIS  70  22.691   3.438   3.383
 1667    H    SER  71           H        SER  71  20.647  -2.533   3.582
 1668    HA   SER  71           HA       SER  71  22.163  -3.888   5.782
 1669   1HB   SER  71          1HB       SER  71  20.009  -4.842   4.022
 1670   2HB   SER  71          2HB       SER  71  21.431  -5.885   3.992
 1671    HG   SER  71           HG       SER  71  19.984  -6.449   5.668
 1672    H    LYS  72           H        LYS  72  24.234  -4.560   5.173
 1673    HA   LYS  72           HA       LYS  72  25.494  -3.410   2.881
 1674   1HB   LYS  72          1HB       LYS  72  26.468  -4.265   5.101
 1675   2HB   LYS  72          2HB       LYS  72  26.362  -5.884   4.410
 1676   1HG   LYS  72          1HG       LYS  72  28.574  -5.147   3.924
 1677   2HG   LYS  72          2HG       LYS  72  27.680  -4.945   2.416
 1678   1HD   LYS  72          1HD       LYS  72  27.228  -2.544   3.175
 1679   2HD   LYS  72          2HD       LYS  72  28.443  -2.815   4.423
 1680   1HE   LYS  72          1HE       LYS  72  29.225  -3.587   1.655
 1681   2HE   LYS  72          2HE       LYS  72  29.085  -1.850   1.982
 1682   1HZ   LYS  72          1HZ       LYS  72  31.294  -2.772   2.571
 1683   2HZ   LYS  72          2HZ       LYS  72  30.544  -3.785   3.709
 1684   3HZ   LYS  72          3HZ       LYS  72  30.485  -2.098   3.904
 1685    H    ASP  73           H        ASP  73  25.226  -4.039   0.777
 1686    HA   ASP  73           HA       ASP  73  24.817  -5.411  -1.099
 1687   1HB   ASP  73          1HB       ASP  73  26.768  -6.531   0.429
 1688   2HB   ASP  73          2HB       ASP  73  25.581  -7.834   0.457
 1689    HA   PRO  74           HA       PRO  74  20.788  -6.707   0.766
 1690   1HB   PRO  74          1HB       PRO  74  19.341  -5.846  -1.450
 1691   2HB   PRO  74          2HB       PRO  74  19.667  -4.852  -0.019
 1692   1HG   PRO  74          1HG       PRO  74  21.015  -4.869  -2.669
 1693   2HG   PRO  74          2HG       PRO  74  20.654  -3.511  -1.595
 1694   1HD   PRO  74          1HD       PRO  74  23.130  -4.591  -1.829
 1695   2HD   PRO  74          2HD       PRO  74  22.541  -3.848  -0.327
 1696    H    ASN  75           H        ASN  75  20.888  -8.933   0.522
 1697    HA   ASN  75           HA       ASN  75  21.583 -10.367  -1.822
 1698   1HB   ASN  75          1HB       ASN  75  19.956 -10.941   0.661
 1699   2HB   ASN  75          2HB       ASN  75  20.211 -12.188  -0.560
 1700   1HD2  ASN  75          1HD2      ASN  75  21.301 -12.393   2.108
 1701   2HD2  ASN  75          2HD2      ASN  75  22.993 -12.321   1.988
 1702    H    ALA  76           H        ALA  76  18.636  -8.714  -1.026
 1703    HA   ALA  76           HA       ALA  76  17.351  -9.917  -3.453
 1704   1HB   ALA  76          1HB       ALA  76  15.279  -9.233  -1.752
 1705   2HB   ALA  76          2HB       ALA  76  16.521  -9.778  -0.624
 1706   3HB   ALA  76          3HB       ALA  76  15.957 -10.854  -1.902
 1707    H    ARG  77           H        ARG  77  17.050  -8.297  -4.922
 1708    HA   ARG  77           HA       ARG  77  16.769  -5.493  -3.937
 1709   1HB   ARG  77          1HB       ARG  77  18.024  -6.885  -6.168
 1710   2HB   ARG  77          2HB       ARG  77  16.985  -5.581  -6.745
 1711   1HG   ARG  77          1HG       ARG  77  18.120  -3.981  -5.295
 1712   2HG   ARG  77          2HG       ARG  77  19.090  -5.270  -4.583
 1713   1HD   ARG  77          1HD       ARG  77  20.391  -4.072  -6.313
 1714   2HD   ARG  77          2HD       ARG  77  20.065  -5.732  -6.846
 1715    HE   ARG  77           HE       ARG  77  17.884  -4.107  -7.678
 1716   1HH1  ARG  77          1HH1      ARG  77  21.287  -4.506  -8.297
 1717   2HH1  ARG  77          2HH1      ARG  77  21.170  -3.939  -9.927
 1718   1HH2  ARG  77          1HH2      ARG  77  17.757  -3.375  -9.797
 1719   2HH2  ARG  77          2HH2      ARG  77  19.187  -3.304 -10.772
 1720    H    HIS  78           H        HIS  78  15.420  -4.291  -5.949
 1721    HA   HIS  78           HA       HIS  78  12.823  -5.775  -6.164
 1722   1HB   HIS  78          1HB       HIS  78  11.773  -3.515  -5.752
 1723   2HB   HIS  78          2HB       HIS  78  12.714  -4.105  -4.383
 1724    HD1  HIS  78           HD1      HIS  78  14.901  -2.869  -3.807
 1725    HD2  HIS  78           HD2      HIS  78  12.969  -1.317  -7.159
 1726    HE1  HIS  78           HE1      HIS  78  16.049  -0.676  -4.344
 1727    H    GLU  79           H        GLU  79  11.449  -4.937  -7.971
 1728    HA   GLU  79           HA       GLU  79  12.991  -3.524 -10.108
 1729   1HB   GLU  79          1HB       GLU  79  13.061  -6.086 -10.216
 1730   2HB   GLU  79          2HB       GLU  79  11.327  -6.027 -10.531
 1731   1HG   GLU  79          1HG       GLU  79  11.832  -4.466 -12.461
 1732   2HG   GLU  79          2HG       GLU  79  13.541  -4.819 -12.209
 1733    H    LEU  80           H        LEU  80  11.562  -2.615 -11.783
 1734    HA   LEU  80           HA       LEU  80   8.754  -2.202 -10.803
 1735   1HB   LEU  80          1HB       LEU  80  10.866  -0.431 -12.010
 1736   2HB   LEU  80          2HB       LEU  80   9.168  -0.026 -12.266
 1737    HG   LEU  80           HG       LEU  80  10.113  -0.682  -9.493
 1738   1HD1  LEU  80          1HD1      LEU  80  10.569   1.895 -11.008
 1739   2HD1  LEU  80          2HD1      LEU  80  11.741   0.954 -10.084
 1740   3HD1  LEU  80          3HD1      LEU  80  10.472   1.849  -9.247
 1741   1HD2  LEU  80          1HD2      LEU  80   7.743  -0.401  -9.775
 1742   2HD2  LEU  80          2HD2      LEU  80   7.970   1.063 -10.731
 1743   3HD2  LEU  80          3HD2      LEU  80   8.338   1.071  -9.006
 1744    H    THR  81           H        THR  81   7.099  -2.202 -12.424
 1745    HA   THR  81           HA       THR  81   7.533  -3.949 -14.676
 1746    HB   THR  81           HB       THR  81   5.151  -3.032 -15.196
 1747    HG1  THR  81           HG1      THR  81   4.769  -1.273 -14.132
 1748   1HG2  THR  81          1HG2      THR  81   5.830  -5.106 -13.822
 1749   2HG2  THR  81          2HG2      THR  81   4.215  -4.453 -13.541
 1750   3HG2  THR  81          3HG2      THR  81   5.515  -4.112 -12.400
 1751    H    ALA  82           H        ALA  82   9.448  -2.417 -15.421
 1752    HA   ALA  82           HA       ALA  82  10.270  -0.899 -17.033
 1753   1HB   ALA  82          1HB       ALA  82   9.137  -1.154 -19.103
 1754   2HB   ALA  82          2HB       ALA  82   7.561  -1.283 -18.321
 1755   3HB   ALA  82          3HB       ALA  82   8.709  -2.618 -18.217
 1756    H    GLY  83           H        GLY  83   8.950   0.359 -14.776
 1757   1HA   GLY  83          1HA       GLY  83   8.817   3.009 -15.461
 1758   2HA   GLY  83          2HA       GLY  83   7.192   2.444 -15.843
 1759    H    LEU  84           H        LEU  84   5.977   3.307 -14.197
 1760    HA   LEU  84           HA       LEU  84   6.764   2.559 -11.402
 1761   1HB   LEU  84          1HB       LEU  84   6.900   5.068 -12.507
 1762   2HB   LEU  84          2HB       LEU  84   5.270   5.083 -11.839
 1763    HG   LEU  84           HG       LEU  84   6.161   4.388  -9.644
 1764   1HD1  LEU  84          1HD1      LEU  84   8.520   3.876 -11.270
 1765   2HD1  LEU  84          2HD1      LEU  84   8.146   3.313  -9.641
 1766   3HD1  LEU  84          3HD1      LEU  84   8.907   4.886  -9.877
 1767   1HD2  LEU  84          1HD2      LEU  84   7.881   6.526  -9.592
 1768   2HD2  LEU  84          2HD2      LEU  84   6.126   6.658  -9.483
 1769   3HD2  LEU  84          3HD2      LEU  84   6.931   6.872 -11.037
 1770    H    LYS  85           H        LYS  85   5.199   0.782 -11.599
 1771    HA   LYS  85           HA       LYS  85   2.439   1.668 -11.014
 1772   1HB   LYS  85          1HB       LYS  85   3.405   0.423 -13.529
 1773   2HB   LYS  85          2HB       LYS  85   1.919  -0.260 -12.869
 1774   1HG   LYS  85          1HG       LYS  85   0.734   1.548 -13.513
 1775   2HG   LYS  85          2HG       LYS  85   1.871   2.635 -12.716
 1776   1HD   LYS  85          1HD       LYS  85   3.359   1.898 -14.853
 1777   2HD   LYS  85          2HD       LYS  85   1.746   1.772 -15.554
 1778   1HE   LYS  85          1HE       LYS  85   1.917   4.195 -13.991
 1779   2HE   LYS  85          2HE       LYS  85   3.247   4.142 -15.163
 1780   1HZ   LYS  85          1HZ       LYS  85   0.474   3.387 -15.888
 1781   2HZ   LYS  85          2HZ       LYS  85   1.761   3.776 -16.925
 1782   3HZ   LYS  85          3HZ       LYS  85   1.015   4.993 -16.004
 1783    H    ARG  86           H        ARG  86   4.470  -1.203 -11.726
 1784    HA   ARG  86           HA       ARG  86   3.235  -2.517  -9.326
 1785   1HB   ARG  86          1HB       ARG  86   3.466  -3.281 -12.140
 1786   2HB   ARG  86          2HB       ARG  86   4.147  -4.508 -11.073
 1787   1HG   ARG  86          1HG       ARG  86   1.751  -3.661  -9.844
 1788   2HG   ARG  86          2HG       ARG  86   1.370  -3.862 -11.554
 1789   1HD   ARG  86          1HD       ARG  86   2.393  -6.141 -11.484
 1790   2HD   ARG  86          2HD       ARG  86   2.662  -5.936  -9.743
 1791    HE   ARG  86           HE       ARG  86   0.336  -6.232  -9.413
 1792   1HH1  ARG  86          1HH1      ARG  86   1.023  -5.447 -12.734
 1793   2HH1  ARG  86          2HH1      ARG  86  -0.612  -5.683 -13.243
 1794   1HH2  ARG  86          1HH2      ARG  86  -1.780  -6.532 -10.098
 1795   2HH2  ARG  86          2HH2      ARG  86  -2.189  -6.293 -11.763
 1796    H    MET  87           H        MET  87   4.753  -2.922  -7.777
 1797    HA   MET  87           HA       MET  87   7.628  -2.811  -8.506
 1798   1HB   MET  87          1HB       MET  87   5.898  -2.456  -6.105
 1799   2HB   MET  87          2HB       MET  87   7.525  -3.066  -5.806
 1800   1HG   MET  87          1HG       MET  87   8.383  -1.151  -7.241
 1801   2HG   MET  87          2HG       MET  87   6.747  -0.495  -7.203
 1802   1HE   MET  87          1HE       MET  87   9.648  -1.879  -5.281
 1803   2HE   MET  87          2HE       MET  87   8.437  -2.507  -4.162
 1804   3HE   MET  87          3HE       MET  87   9.538  -1.230  -3.644
 1805    H    ARG  88           H        ARG  88   9.090  -4.503  -7.830
 1806    HA   ARG  88           HA       ARG  88   7.828  -7.105  -7.071
 1807   1HB   ARG  88          1HB       ARG  88   9.690  -6.473  -9.386
 1808   2HB   ARG  88          2HB       ARG  88   9.374  -8.117  -8.834
 1809   1HG   ARG  88          1HG       ARG  88   7.032  -7.924  -9.349
 1810   2HG   ARG  88          2HG       ARG  88   7.181  -6.191  -9.642
 1811   1HD   ARG  88          1HD       ARG  88   8.792  -6.753 -11.531
 1812   2HD   ARG  88          2HD       ARG  88   8.323  -8.450 -11.318
 1813    HE   ARG  88           HE       ARG  88   6.641  -6.331 -12.435
 1814   1HH1  ARG  88          1HH1      ARG  88   6.706  -9.367 -10.732
 1815   2HH1  ARG  88          2HH1      ARG  88   5.112  -9.809 -11.235
 1816   1HH2  ARG  88          1HH2      ARG  88   4.572  -6.928 -13.075
 1817   2HH2  ARG  88          2HH2      ARG  88   3.911  -8.440 -12.551
 1818    H    ILE  89           H        ILE  89   9.518  -8.665  -6.275
 1819    HA   ILE  89           HA       ILE  89  11.962  -7.270  -5.239
 1820    HB   ILE  89           HB       ILE  89  10.013  -9.134  -3.834
 1821   1HG1  ILE  89          1HG1      ILE  89  10.787  -6.493  -2.724
 1822   2HG1  ILE  89          2HG1      ILE  89   9.811  -6.450  -4.192
 1823   1HG2  ILE  89          1HG2      ILE  89  12.732  -8.088  -3.029
 1824   2HG2  ILE  89          2HG2      ILE  89  12.153  -9.754  -3.005
 1825   3HG2  ILE  89          3HG2      ILE  89  11.539  -8.590  -1.830
 1826   1HD1  ILE  89          1HD1      ILE  89   8.285  -6.469  -2.328
 1827   2HD1  ILE  89          2HD1      ILE  89   9.135  -7.819  -1.575
 1828   3HD1  ILE  89          3HD1      ILE  89   8.223  -8.071  -3.064
 1829    H    PHE  90           H        PHE  90  13.396  -8.281  -6.694
 1830    HA   PHE  90           HA       PHE  90  13.268 -11.216  -7.068
 1831   1HB   PHE  90          1HB       PHE  90  14.679  -8.848  -8.262
 1832   2HB   PHE  90          2HB       PHE  90  15.375 -10.449  -8.510
 1833    HD1  PHE  90           HD1      PHE  90  13.919 -12.279  -9.510
 1834    HD2  PHE  90           HD2      PHE  90  12.765  -8.142  -9.472
 1835    HE1  PHE  90           HE1      PHE  90  12.249 -12.728 -11.287
 1836    HE2  PHE  90           HE2      PHE  90  11.094  -8.591 -11.249
 1837    HZ   PHE  90           HZ       PHE  90  10.836 -10.885 -12.157
 1838    H    THR  91           H        THR  91  15.175 -12.553  -6.652
 1839    HA   THR  91           HA       THR  91  16.726 -11.600  -4.287
 1840    HB   THR  91           HB       THR  91  17.213 -14.153  -4.234
 1841    HG1  THR  91           HG1      THR  91  15.736 -15.364  -5.441
 1842   1HG2  THR  91          1HG2      THR  91  15.620 -14.031  -2.651
 1843   2HG2  THR  91          2HG2      THR  91  14.380 -14.183  -3.896
 1844   3HG2  THR  91          3HG2      THR  91  14.959 -12.587  -3.418
 1845    H    ILE  92           H        ILE  92  18.211 -10.323  -5.678
 1846    HA   ILE  92           HA       ILE  92  19.710 -11.270  -7.856
 1847    HB   ILE  92           HB       ILE  92  21.371  -9.551  -7.049
 1848   1HG1  ILE  92          1HG1      ILE  92  19.537  -8.928  -4.771
 1849   2HG1  ILE  92          2HG1      ILE  92  20.691 -10.244  -4.562
 1850   1HG2  ILE  92          1HG2      ILE  92  19.779  -7.658  -7.120
 1851   2HG2  ILE  92          2HG2      ILE  92  18.445  -8.777  -6.841
 1852   3HG2  ILE  92          3HG2      ILE  92  19.381  -8.875  -8.332
 1853   1HD1  ILE  92          1HD1      ILE  92  21.161  -7.353  -4.657
 1854   2HD1  ILE  92          2HD1      ILE  92  22.222  -8.257  -5.738
 1855   3HD1  ILE  92          3HD1      ILE  92  22.188  -8.636  -4.016
 1856    H    LYS  93           H        LYS  93  19.974 -12.130  -4.477
 1857    HA   LYS  93           HA       LYS  93  22.257 -13.934  -5.175
 1858   1HB   LYS  93          1HB       LYS  93  21.960 -12.167  -2.715
 1859   2HB   LYS  93          2HB       LYS  93  23.298 -13.274  -3.019
 1860   1HG   LYS  93          1HG       LYS  93  22.558 -10.995  -4.873
 1861   2HG   LYS  93          2HG       LYS  93  23.784 -10.869  -3.614
 1862   1HD   LYS  93          1HD       LYS  93  24.882 -12.923  -4.670
 1863   2HD   LYS  93          2HD       LYS  93  23.795 -12.680  -6.038
 1864   1HE   LYS  93          1HE       LYS  93  25.008 -10.909  -6.807
 1865   2HE   LYS  93          2HE       LYS  93  25.171 -10.216  -5.183
 1866   1HZ   LYS  93          1HZ       LYS  93  27.290 -11.095  -6.155
 1867   2HZ   LYS  93          2HZ       LYS  93  26.615 -12.651  -6.091
 1868   3HZ   LYS  93          3HZ       LYS  93  26.872 -11.778  -4.657
 1869    HA   PRO  94           HA       PRO  94  19.610 -17.056  -3.428
 1870   1HB   PRO  94          1HB       PRO  94  22.269 -18.062  -2.459
 1871   2HB   PRO  94          2HB       PRO  94  20.946 -18.958  -3.233
 1872   1HG   PRO  94          1HG       PRO  94  23.077 -18.259  -4.619
 1873   2HG   PRO  94          2HG       PRO  94  21.466 -18.146  -5.334
 1874   1HD   PRO  94          1HD       PRO  94  23.261 -15.982  -4.359
 1875   2HD   PRO  94          2HD       PRO  94  22.083 -15.966  -5.689
 1876    H    ILE  95           H        ILE  95  18.651 -17.293  -1.393
 1877    HA   ILE  95           HA       ILE  95  20.047 -15.937   0.891
 1878    HB   ILE  95           HB       ILE  95  17.114 -16.201   0.135
 1879   1HG1  ILE  95          1HG1      ILE  95  18.686 -13.657   0.495
 1880   2HG1  ILE  95          2HG1      ILE  95  18.747 -14.534  -1.033
 1881   1HG2  ILE  95          1HG2      ILE  95  16.906 -14.519   2.102
 1882   2HG2  ILE  95          2HG2      ILE  95  18.478 -15.138   2.606
 1883   3HG2  ILE  95          3HG2      ILE  95  17.096 -16.227   2.496
 1884   1HD1  ILE  95          1HD1      ILE  95  16.937 -13.151  -1.445
 1885   2HD1  ILE  95          2HD1      ILE  95  16.449 -13.111   0.250
 1886   3HD1  ILE  95          3HD1      ILE  95  16.103 -14.534  -0.735
 1887    H    ALA  96           H        ALA  96  20.137 -17.045   2.845
 1888    HA   ALA  96           HA       ALA  96  19.479 -19.924   2.784
 1889   1HB   ALA  96          1HB       ALA  96  20.798 -19.881   4.892
 1890   2HB   ALA  96          2HB       ALA  96  20.812 -18.118   4.839
 1891   3HB   ALA  96          3HB       ALA  96  21.653 -19.044   3.596
 1892    H    ILE  97           H        ILE  97  18.397 -20.869   4.772
 1893    HA   ILE  97           HA       ILE  97  15.866 -19.561   5.281
 1894    HB   ILE  97           HB       ILE  97  17.286 -21.929   6.559
 1895   1HG1  ILE  97          1HG1      ILE  97  15.083 -22.625   4.870
 1896   2HG1  ILE  97          2HG1      ILE  97  16.138 -21.532   3.975
 1897   1HG2  ILE  97          1HG2      ILE  97  14.847 -20.583   7.262
 1898   2HG2  ILE  97          2HG2      ILE  97  15.553 -22.026   7.990
 1899   3HG2  ILE  97          3HG2      ILE  97  14.454 -22.178   6.619
 1900   1HD1  ILE  97          1HD1      ILE  97  16.557 -24.243   4.269
 1901   2HD1  ILE  97          2HD1      ILE  97  17.595 -23.563   5.523
 1902   3HD1  ILE  97          3HD1      ILE  97  17.802 -23.068   3.843
 1903    H    GLY  98           H        GLY  98  15.434 -18.065   6.851
 1904   1HA   GLY  98          1HA       GLY  98  15.503 -17.239   9.117
 1905   2HA   GLY  98          2HA       GLY  98  17.020 -18.104   9.358
 1906    H    GLU  99           H        GLU  99  16.605 -16.247   6.451
 1907    HA   GLU  99           HA       GLU  99  18.717 -14.370   7.389
 1908   1HB   GLU  99          1HB       GLU  99  18.101 -15.854   5.046
 1909   2HB   GLU  99          2HB       GLU  99  17.908 -14.158   4.616
 1910   1HG   GLU  99          1HG       GLU  99  20.332 -15.065   6.155
 1911   2HG   GLU  99          2HG       GLU  99  20.271 -15.264   4.405
 1912    H    GLU 100           H        GLU 100  18.339 -12.115   6.037
 1913    HA   GLU 100           HA       GLU 100  15.513 -11.258   6.573
 1914   1HB   GLU 100          1HB       GLU 100  17.279 -10.561   8.261
 1915   2HB   GLU 100          2HB       GLU 100  18.058  -9.646   6.970
 1916   1HG   GLU 100          1HG       GLU 100  15.764  -8.521   6.625
 1917   2HG   GLU 100          2HG       GLU 100  15.327  -9.208   8.190
 1918    H    ILE 101           H        ILE 101  14.566 -10.466   4.741
 1919    HA   ILE 101           HA       ILE 101  16.242  -9.824   2.394
 1920    HB   ILE 101           HB       ILE 101  13.251 -10.017   2.904
 1921   1HG1  ILE 101          1HG1      ILE 101  15.200 -11.841   1.464
 1922   2HG1  ILE 101          2HG1      ILE 101  14.487 -12.145   3.049
 1923   1HG2  ILE 101          1HG2      ILE 101  14.593  -8.711   0.785
 1924   2HG2  ILE 101          2HG2      ILE 101  12.883  -9.131   0.866
 1925   3HG2  ILE 101          3HG2      ILE 101  14.032 -10.251   0.134
 1926   1HD1  ILE 101          1HD1      ILE 101  12.844 -13.216   1.910
 1927   2HD1  ILE 101          2HD1      ILE 101  13.316 -12.485   0.376
 1928   3HD1  ILE 101          3HD1      ILE 101  12.272 -11.602   1.489
 1929    H    THR 102           H        THR 102  16.705  -7.774   1.771
 1930    HA   THR 102           HA       THR 102  14.961  -5.505   2.508
 1931    HB   THR 102           HB       THR 102  16.890  -4.346   3.606
 1932    HG1  THR 102           HG1      THR 102  18.143  -6.879   3.498
 1933   1HG2  THR 102          1HG2      THR 102  16.727  -5.491   5.687
 1934   2HG2  THR 102          2HG2      THR 102  16.470  -7.046   4.896
 1935   3HG2  THR 102          3HG2      THR 102  15.204  -5.818   4.860
 1936    H    ILE 103           H        ILE 103  16.650  -3.432   1.793
 1937    HA   ILE 103           HA       ILE 103  17.942  -4.161  -0.780
 1938    HB   ILE 103           HB       ILE 103  16.520  -2.579  -2.012
 1939   1HG1  ILE 103          1HG1      ILE 103  14.428  -2.068  -0.173
 1940   2HG1  ILE 103          2HG1      ILE 103  15.929  -1.654   0.652
 1941   1HG2  ILE 103          1HG2      ILE 103  14.722  -4.333  -0.324
 1942   2HG2  ILE 103          2HG2      ILE 103  15.766  -4.973  -1.594
 1943   3HG2  ILE 103          3HG2      ILE 103  14.479  -3.837  -1.999
 1944   1HD1  ILE 103          1HD1      ILE 103  15.470   0.335  -0.475
 1945   2HD1  ILE 103          2HD1      ILE 103  14.763  -0.496  -1.861
 1946   3HD1  ILE 103          3HD1      ILE 103  16.513  -0.484  -1.639
 1947    H    SER 104           H        SER 104  18.372  -1.646  -1.790
 1948    HA   SER 104           HA       SER 104  20.067  -0.402   0.329
 1949   1HB   SER 104          1HB       SER 104  20.820  -1.309  -2.017
 1950   2HB   SER 104          2HB       SER 104  20.122   0.189  -2.632
 1951    HG   SER 104           HG       SER 104  22.460   0.101  -1.923
 1952    H    TYR 105           H        TYR 105  20.256   2.075  -1.330
 1953    HA   TYR 105           HA       TYR 105  17.502   3.187  -0.991
 1954   1HB   TYR 105          1HB       TYR 105  20.111   4.009   0.278
 1955   2HB   TYR 105          2HB       TYR 105  18.840   5.206   0.025
 1956    HD1  TYR 105           HD1      TYR 105  16.521   4.741   0.966
 1957    HD2  TYR 105           HD2      TYR 105  19.982   2.445   2.054
 1958    HE1  TYR 105           HE1      TYR 105  15.333   3.906   2.977
 1959    HE2  TYR 105           HE2      TYR 105  18.795   1.609   4.063
 1960    HH   TYR 105           HH       TYR 105  15.836   1.452   4.516
 1961    H    GLY 106           H        GLY 106  20.469   5.032  -1.576
 1962   1HA   GLY 106          1HA       GLY 106  20.396   5.022  -4.424
 1963   2HA   GLY 106          2HA       GLY 106  19.414   6.369  -3.849
 1964    H    ASP 107           H        ASP 107  20.660   8.171  -4.125
 1965    HA   ASP 107           HA       ASP 107  23.539   8.037  -3.314
 1966   1HB   ASP 107          1HB       ASP 107  22.013   9.168  -5.511
 1967   2HB   ASP 107          2HB       ASP 107  22.955  10.425  -4.709
 1968    H    ASP 108           H        ASP 108  20.585   9.054  -2.089
 1969    HA   ASP 108           HA       ASP 108  21.946  11.110  -0.396
 1970   1HB   ASP 108          1HB       ASP 108  20.014  11.519  -2.430
 1971   2HB   ASP 108          2HB       ASP 108  19.159  11.725  -0.901
 1972    H    TYR 109           H        TYR 109  19.134   8.944  -0.791
 1973    HA   TYR 109           HA       TYR 109  18.146   9.203   1.888
 1974   1HB   TYR 109          1HB       TYR 109  17.643   7.724  -0.534
 1975   2HB   TYR 109          2HB       TYR 109  17.596   6.611   0.833
 1976    HD1  TYR 109           HD1      TYR 109  15.315   6.227   1.282
 1977    HD2  TYR 109           HD2      TYR 109  16.702  10.241   0.641
 1978    HE1  TYR 109           HE1      TYR 109  13.083   7.099   1.915
 1979    HE2  TYR 109           HE2      TYR 109  14.468  11.113   1.274
 1980    HH   TYR 109           HH       TYR 109  11.806   9.547   1.232
 1981    H    TRP 110           H        TRP 110  19.576   8.839   3.557
 1982    HA   TRP 110           HA       TRP 110  21.008   7.662   5.005
 1983   1HB   TRP 110          1HB       TRP 110  19.277   5.686   3.590
 1984   2HB   TRP 110          2HB       TRP 110  20.634   5.034   4.510
 1985    HD1  TRP 110           HD1      TRP 110  17.430   7.084   4.933
 1986    HE1  TRP 110           HE1      TRP 110  16.760   7.066   7.422
 1987    HE3  TRP 110           HE3      TRP 110  21.503   4.734   6.926
 1988    HZ2  TRP 110           HZ2      TRP 110  17.813   6.173   9.928
 1989    HZ3  TRP 110           HZ3      TRP 110  21.643   4.313   9.364
 1990    HH2  TRP 110           HH2      TRP 110  19.805   5.028  10.866
 1991    H    LEU 111           H        LEU 111  21.269   5.180   2.493
 1992    HA   LEU 111           HA       LEU 111  24.035   4.882   2.573
 1993   1HB   LEU 111          1HB       LEU 111  22.075   3.668   1.296
 1994   2HB   LEU 111          2HB       LEU 111  22.524   4.742  -0.029
 1995    HG   LEU 111           HG       LEU 111  24.804   3.419   1.297
 1996   1HD1  LEU 111          1HD1      LEU 111  22.490   1.881   0.331
 1997   2HD1  LEU 111          2HD1      LEU 111  23.846   1.361   1.331
 1998   3HD1  LEU 111          3HD1      LEU 111  24.014   1.416  -0.424
 1999   1HD2  LEU 111          1HD2      LEU 111  24.300   3.102  -1.593
 2000   2HD2  LEU 111          2HD2      LEU 111  25.728   3.717  -0.761
 2001   3HD2  LEU 111          3HD2      LEU 111  24.347   4.777  -1.042
 2002    H    SER 112           H        SER 112  25.574   5.442   0.691
 2003    HA   SER 112           HA       SER 112  26.773   7.078  -0.505
 2004   1HB   SER 112          1HB       SER 112  24.476   6.868  -1.706
 2005   2HB   SER 112          2HB       SER 112  24.087   8.401  -0.927
 2006    HG   SER 112           HG       SER 112  25.860   7.837  -2.970
 2007    H    ARG 113           H        ARG 113  26.928   7.543   2.177
 2008    HA   ARG 113           HA       ARG 113  27.522  10.305   2.373
 2009   1HB   ARG 113          1HB       ARG 113  24.738   9.664   2.637
 2010   2HB   ARG 113          2HB       ARG 113  25.325  10.235   4.199
 2011   1HG   ARG 113          1HG       ARG 113  26.126  11.731   1.729
 2012   2HG   ARG 113          2HG       ARG 113  24.497  11.960   2.366
 2013   1HD   ARG 113          1HD       ARG 113  25.511  13.531   3.701
 2014   2HD   ARG 113          2HD       ARG 113  26.015  12.126   4.659
 2015    HE   ARG 113           HE       ARG 113  28.203  12.431   3.816
 2016   1HH1  ARG 113          1HH1      ARG 113  25.870  14.024   1.781
 2017   2HH1  ARG 113          2HH1      ARG 113  27.077  14.734   0.766
 2018   1HH2  ARG 113          1HH2      ARG 113  29.750  13.364   2.483
 2019   2HH2  ARG 113          2HH2      ARG 113  29.257  14.365   1.158
 2020    HA   PRO 114           HA       PRO 114  27.767   8.435   6.716
 2021   1HB   PRO 114          1HB       PRO 114  26.447   6.107   7.279
 2022   2HB   PRO 114          2HB       PRO 114  25.661   7.695   7.372
 2023   1HG   PRO 114          1HG       PRO 114  25.501   5.615   5.250
 2024   2HG   PRO 114          2HG       PRO 114  24.245   6.697   5.866
 2025   1HD   PRO 114          1HD       PRO 114  25.629   7.080   3.515
 2026   2HD   PRO 114          2HD       PRO 114  24.816   8.360   4.431
 2027    H    ARG 115           H        ARG 115  28.530   6.920   3.894
 2028    HA   ARG 115           HA       ARG 115  30.175   5.340   3.292
 2029   1HB   ARG 115          1HB       ARG 115  30.915   6.631   5.804
 2030   2HB   ARG 115          2HB       ARG 115  31.585   5.002   5.701
 2031   1HG   ARG 115          1HG       ARG 115  33.235   6.195   4.589
 2032   2HG   ARG 115          2HG       ARG 115  32.190   5.772   3.233
 2033   1HD   ARG 115          1HD       ARG 115  31.017   8.098   4.120
 2034   2HD   ARG 115          2HD       ARG 115  32.736   8.419   4.417
 2035    HE   ARG 115           HE       ARG 115  32.532   7.181   1.873
 2036   1HH1  ARG 115          1HH1      ARG 115  31.557  10.123   3.458
 2037   2HH1  ARG 115          2HH1      ARG 115  31.597  11.051   1.999
 2038   1HH2  ARG 115          1HH2      ARG 115  32.577   8.407  -0.007
 2039   2HH2  ARG 115          2HH2      ARG 115  32.170  10.089   0.052
 2040    H    LEU 116           H        LEU 116  30.965   3.072   3.883
 2041    HA   LEU 116           HA       LEU 116  28.894   1.655   5.530
 2042   1HB   LEU 116          1HB       LEU 116  29.835   1.398   2.765
 2043   2HB   LEU 116          2HB       LEU 116  29.901  -0.134   3.637
 2044    HG   LEU 116           HG       LEU 116  27.704   0.153   2.563
 2045   1HD1  LEU 116          1HD1      LEU 116  28.164  -0.222   5.391
 2046   2HD1  LEU 116          2HD1      LEU 116  26.981  -1.012   4.349
 2047   3HD1  LEU 116          3HD1      LEU 116  26.585   0.519   5.130
 2048   1HD2  LEU 116          1HD2      LEU 116  28.023   2.807   3.071
 2049   2HD2  LEU 116          2HD2      LEU 116  26.922   2.362   4.375
 2050   3HD2  LEU 116          3HD2      LEU 116  26.466   2.068   2.697
 2051    H    THR 117           H        THR 117  29.756   0.517   7.211
 2052    HA   THR 117           HA       THR 117  32.378  -0.810   6.948
 2053    HB   THR 117           HB       THR 117  31.826   1.412   8.953
 2054    HG1  THR 117           HG1      THR 117  33.310   2.551   7.768
 2055   1HG2  THR 117          1HG2      THR 117  34.569   0.746   8.837
 2056   2HG2  THR 117          2HG2      THR 117  33.702  -0.786   8.942
 2057   3HG2  THR 117          3HG2      THR 117  33.457   0.453  10.174
 2058    H    GLN 118           H        GLN 118  31.375  -2.785   7.488
 2059    HA   GLN 118           HA       GLN 118  30.443  -4.432   8.898
 2060   1HB   GLN 118          1HB       GLN 118  32.376  -3.354  10.245
 2061   2HB   GLN 118          2HB       GLN 118  31.113  -2.496  11.127
 2062   1HG   GLN 118          1HG       GLN 118  30.439  -5.300  10.894
 2063   2HG   GLN 118          2HG       GLN 118  32.041  -5.117  11.608
 2064   1HE2  GLN 118          1HE2      GLN 118  31.855  -2.854  13.150
 2065   2HE2  GLN 118          2HE2      GLN 118  30.627  -3.004  14.312
 2066    H    ASN 119           H        ASN 119  28.227  -4.435   8.532
 2067    HA   ASN 119           HA       ASN 119  25.942  -3.944   8.873
 2068   1HB   ASN 119          1HB       ASN 119  27.425  -3.624  11.427
 2069   2HB   ASN 119          2HB       ASN 119  25.814  -2.906  11.400
 2070   1HD2  ASN 119          1HD2      ASN 119  24.230  -4.608  10.033
 2071   2HD2  ASN 119          2HD2      ASN 119  24.282  -6.183  10.665
 2072   1H    GLY 201          1H        GLY 201  30.045  22.667  -2.345
 2073   2H    GLY 201          2H        GLY 201  31.314  23.454  -3.153
 2074   3H    GLY 201          3H        GLY 201  29.970  22.892  -4.027
 2075   1HA   GLY 201          1HA       GLY 201  30.224  25.412  -3.312
 2076   2HA   GLY 201          2HA       GLY 201  28.656  24.616  -3.441
 2077    H    LYS 202           H        LYS 202  28.331  23.157  -1.257
 2078    HA   LYS 202           HA       LYS 202  27.761  23.324   1.031
 2079   1HB   LYS 202          1HB       LYS 202  30.558  24.183   0.600
 2080   2HB   LYS 202          2HB       LYS 202  29.868  24.722   2.131
 2081   1HG   LYS 202          1HG       LYS 202  29.026  22.242   2.310
 2082   2HG   LYS 202          2HG       LYS 202  30.295  21.920   1.129
 2083   1HD   LYS 202          1HD       LYS 202  31.830  23.266   2.735
 2084   2HD   LYS 202          2HD       LYS 202  30.562  23.002   3.931
 2085   1HE   LYS 202          1HE       LYS 202  31.115  20.801   4.179
 2086   2HE   LYS 202          2HE       LYS 202  31.317  20.571   2.432
 2087   1HZ   LYS 202          1HZ       LYS 202  33.216  21.937   4.274
 2088   2HZ   LYS 202          2HZ       LYS 202  33.396  21.859   2.587
 2089   3HZ   LYS 202          3HZ       LYS 202  33.460  20.437   3.514
 2090    H    ALA 203           H        ALA 203  26.271  25.133  -0.266
 2091    HA   ALA 203           HA       ALA 203  26.342  27.507   1.531
 2092   1HB   ALA 203          1HB       ALA 203  26.958  28.903  -0.152
 2093   2HB   ALA 203          2HB       ALA 203  25.735  28.227  -1.228
 2094   3HB   ALA 203          3HB       ALA 203  27.321  27.467  -1.109
 2095    HA   PRO 204           HA       PRO 204  21.959  27.374   1.539
 2096   1HB   PRO 204          1HB       PRO 204  21.720  30.015   0.188
 2097   2HB   PRO 204          2HB       PRO 204  21.122  29.511   1.779
 2098   1HG   PRO 204          1HG       PRO 204  23.236  31.143   1.481
 2099   2HG   PRO 204          2HG       PRO 204  23.100  29.995   2.819
 2100   1HD   PRO 204          1HD       PRO 204  24.800  29.874   0.386
 2101   2HD   PRO 204          2HD       PRO 204  25.103  29.238   2.017
 2102    H    ARG 205           H        ARG 205  22.635  29.268  -1.432
 2103    HA   ARG 205           HA       ARG 205  21.897  28.922  -3.649
 2104   1HB   ARG 205          1HB       ARG 205  22.410  26.142  -2.552
 2105   2HB   ARG 205          2HB       ARG 205  22.043  26.430  -4.252
 2106   1HG   ARG 205          1HG       ARG 205  23.985  27.883  -4.472
 2107   2HG   ARG 205          2HG       ARG 205  24.314  27.760  -2.744
 2108   1HD   ARG 205          1HD       ARG 205  25.792  26.164  -3.676
 2109   2HD   ARG 205          2HD       ARG 205  24.395  25.170  -3.219
 2110    HE   ARG 205           HE       ARG 205  23.934  26.217  -5.831
 2111   1HH1  ARG 205          1HH1      ARG 205  26.022  23.981  -4.172
 2112   2HH1  ARG 205          2HH1      ARG 205  26.256  22.991  -5.571
 2113   1HH2  ARG 205          1HH2      ARG 205  24.253  24.917  -7.633
 2114   2HH2  ARG 205          2HH2      ARG 205  25.264  23.515  -7.516
 2115    H    LYS 206           H        LYS 206  19.865  28.946  -1.374
 2116    HA   LYS 206           HA       LYS 206  17.749  27.125  -2.349
 2117   1HB   LYS 206          1HB       LYS 206  18.395  27.843   0.092
 2118   2HB   LYS 206          2HB       LYS 206  17.473  29.301  -0.274
 2119   1HG   LYS 206          1HG       LYS 206  15.921  27.094  -1.167
 2120   2HG   LYS 206          2HG       LYS 206  16.492  26.699   0.454
 2121   1HD   LYS 206          1HD       LYS 206  15.095  29.275  -0.336
 2122   2HD   LYS 206          2HD       LYS 206  14.347  27.934   0.532
 2123   1HE   LYS 206          1HE       LYS 206  15.235  28.626   2.506
 2124   2HE   LYS 206          2HE       LYS 206  16.850  28.790   1.790
 2125   1HZ   LYS 206          1HZ       LYS 206  15.983  30.833   0.664
 2126   2HZ   LYS 206          2HZ       LYS 206  16.106  30.968   2.352
 2127   3HZ   LYS 206          3HZ       LYS 206  14.590  30.716   1.629
 2128    H    GLN 207           H        GLN 207  17.369  28.064  -4.474
 2129    HA   GLN 207           HA       GLN 207  15.722  30.546  -4.351
 2130   1HB   GLN 207          1HB       GLN 207  18.243  30.846  -4.966
 2131   2HB   GLN 207          2HB       GLN 207  17.800  30.095  -6.500
 2132   1HG   GLN 207          1HG       GLN 207  15.831  31.892  -6.389
 2133   2HG   GLN 207          2HG       GLN 207  16.998  32.749  -5.382
 2134   1HE2  GLN 207          1HE2      GLN 207  17.212  30.783  -8.415
 2135   2HE2  GLN 207          2HE2      GLN 207  18.158  31.917  -9.251
 2136    H    LEU 208           H        LEU 208  13.920  29.060  -4.721
 2137    HA   LEU 208           HA       LEU 208  12.410  27.864  -6.089
 2138   1HB   LEU 208          1HB       LEU 208  12.903  30.102  -7.281
 2139   2HB   LEU 208          2HB       LEU 208  13.962  29.171  -8.340
 2140    HG   LEU 208           HG       LEU 208  11.936  27.616  -8.699
 2141   1HD1  LEU 208          1HD1      LEU 208   9.741  28.708  -8.344
 2142   2HD1  LEU 208          2HD1      LEU 208  10.551  30.062  -7.558
 2143   3HD1  LEU 208          3HD1      LEU 208  10.591  28.461  -6.819
 2144   1HD2  LEU 208          1HD2      LEU 208  10.917  29.273 -10.348
 2145   2HD2  LEU 208          2HD2      LEU 208  12.659  29.033 -10.492
 2146   3HD2  LEU 208          3HD2      LEU 208  12.030  30.474  -9.692
 2147    H    ALA 209           H        ALA 209  15.119  26.661  -5.470
 2148    HA   ALA 209           HA       ALA 209  15.017  24.545  -7.559
 2149   1HB   ALA 209          1HB       ALA 209  17.255  24.860  -8.196
 2150   2HB   ALA 209          2HB       ALA 209  17.666  25.687  -6.694
 2151   3HB   ALA 209          3HB       ALA 209  16.731  26.523  -7.934
 2152    H    THR 210           H        THR 210  14.021  23.615  -5.457
 2153    HA   THR 210           HA       THR 210  16.171  22.707  -3.576
 2154    HB   THR 210           HB       THR 210  14.224  22.366  -2.035
 2155    HG1  THR 210           HG1      THR 210  12.249  22.614  -2.745
 2156   1HG2  THR 210          1HG2      THR 210  14.970  24.962  -3.259
 2157   2HG2  THR 210          2HG2      THR 210  15.015  24.460  -1.568
 2158   3HG2  THR 210          3HG2      THR 210  13.492  24.969  -2.298
 2159    H    LYS 211           H        LYS 211  16.846  20.857  -4.785
 2160    HA   LYS 211           HA       LYS 211  15.075  18.951  -5.991
 2161   1HB   LYS 211          1HB       LYS 211  17.803  19.470  -5.793
 2162   2HB   LYS 211          2HB       LYS 211  17.627  17.934  -4.944
 2163   1HG   LYS 211          1HG       LYS 211  16.232  17.169  -6.965
 2164   2HG   LYS 211          2HG       LYS 211  16.868  18.590  -7.795
 2165   1HD   LYS 211          1HD       LYS 211  19.027  17.761  -7.847
 2166   2HD   LYS 211          2HD       LYS 211  18.809  16.809  -6.379
 2167   1HE   LYS 211          1HE       LYS 211  18.534  15.010  -7.744
 2168   2HE   LYS 211          2HE       LYS 211  16.975  15.718  -8.208
 2169   1HZ   LYS 211          1HZ       LYS 211  19.626  16.158  -9.477
 2170   2HZ   LYS 211          2HZ       LYS 211  18.281  17.148  -9.788
 2171   3HZ   LYS 211          3HZ       LYS 211  18.233  15.499 -10.193
 2172    H    ALA 212           H        ALA 212  15.637  16.482  -5.029
 2173    HA   ALA 212           HA       ALA 212  15.362  16.308  -2.120
 2174   1HB   ALA 212          1HB       ALA 212  13.006  15.104  -2.724
 2175   2HB   ALA 212          2HB       ALA 212  13.053  16.311  -4.009
 2176   3HB   ALA 212          3HB       ALA 212  13.117  16.817  -2.320
 2177    H    ALA 213           H        ALA 213  14.089  14.348  -4.833
 2178    HA   ALA 213           HA       ALA 213  14.534  12.105  -5.424
 2179   1HB   ALA 213          1HB       ALA 213  16.844  11.735  -5.767
 2180   2HB   ALA 213          2HB       ALA 213  17.293  12.621  -4.310
 2181   3HB   ALA 213          3HB       ALA 213  16.736  13.496  -5.736
 2182    H    ARG 214           H        ARG 214  13.156  11.319  -3.625
 2183    HA   ARG 214           HA       ARG 214  14.183  10.764  -1.001
 2184   1HB   ARG 214          1HB       ARG 214  11.917   9.670  -2.695
 2185   2HB   ARG 214          2HB       ARG 214  12.150   9.204  -1.010
 2186   1HG   ARG 214          1HG       ARG 214  11.250  11.138  -0.277
 2187   2HG   ARG 214          2HG       ARG 214  12.303  12.089  -1.326
 2188   1HD   ARG 214          1HD       ARG 214  10.572  11.062  -3.171
 2189   2HD   ARG 214          2HD       ARG 214   9.503  11.217  -1.763
 2190    HE   ARG 214           HE       ARG 214  11.017  13.581  -1.835
 2191   1HH1  ARG 214          1HH1      ARG 214   8.795  11.906  -3.926
 2192   2HH1  ARG 214          2HH1      ARG 214   8.226  13.360  -4.669
 2193   1HH2  ARG 214          1HH2      ARG 214  10.262  15.456  -2.815
 2194   2HH2  ARG 214          2HH2      ARG 214   9.048  15.355  -4.047
 2195   1HN   MLZ 215          1HN       MLZ 215  13.058   8.084  -3.032
 2196    HA   MLZ 215           HA       MLZ 215  15.475   6.546  -2.221
 2197   1HB   MLZ 215          1HB       MLZ 215  12.690   6.057  -2.468
 2198   2HB   MLZ 215          2HB       MLZ 215  13.469   5.089  -3.719
 2199   1HG   MLZ 215          1HG       MLZ 215  14.863   5.027  -1.126
 2200   2HG   MLZ 215          2HG       MLZ 215  14.435   3.699  -2.203
 2201   1HD   MLZ 215          1HD       MLZ 215  12.112   4.975  -0.929
 2202   2HD   MLZ 215          2HD       MLZ 215  12.511   3.263  -1.080
 2203   1HE   MLZ 215          1HE       MLZ 215  13.193   5.181   1.107
 2204   2HE   MLZ 215          2HE       MLZ 215  14.402   3.947   0.705
 2205    HZ   MLZ 215           HZ       MLZ 215  12.692   2.256   0.857
 2206   1HCM  MLZ 215          1HCM      MLZ 215  13.607   2.339   2.908
 2207   2HCM  MLZ 215          2HCM      MLZ 215  11.972   2.854   3.321
 2208   3HCM  MLZ 215          3HCM      MLZ 215  13.241   4.055   3.086
 2209    H    SER 216           H        SER 216  17.121   6.453  -3.692
 2210    HA   SER 216           HA       SER 216  18.234   6.269  -5.770
 2211   1HB   SER 216          1HB       SER 216  16.596   7.866  -7.395
 2212   2HB   SER 216          2HB       SER 216  16.290   8.451  -5.760
 2213    HG   SER 216           HG       SER 216  18.288   9.104  -7.212
 2214    H    ALA 217           H        ALA 217  16.072   4.287  -5.214
 2215    HA   ALA 217           HA       ALA 217  14.982   2.552  -6.387
 2216   1HB   ALA 217          1HB       ALA 217  14.233   5.157  -7.620
 2217   2HB   ALA 217          2HB       ALA 217  13.199   3.901  -6.941
 2218   3HB   ALA 217          3HB       ALA 217  13.850   3.722  -8.570
 2219    HA   PRO 218           HA       PRO 218  17.503   0.986  -9.610
 2220   1HB   PRO 218          1HB       PRO 218  15.216   0.438 -11.409
 2221   2HB   PRO 218          2HB       PRO 218  16.331  -0.703 -10.638
 2222   1HG   PRO 218          1HG       PRO 218  13.760  -0.428  -9.875
 2223   2HG   PRO 218          2HG       PRO 218  15.052  -0.879  -8.755
 2224   1HD   PRO 218          1HD       PRO 218  13.660   1.731  -9.090
 2225   2HD   PRO 218          2HD       PRO 218  14.301   0.968  -7.620
 2226    H    ALA 219           H        ALA 219  17.494   1.058 -12.319
 2227    HA   ALA 219           HA       ALA 219  17.665   3.953 -12.900
 2228   1HB   ALA 219          1HB       ALA 219  19.310   1.926 -13.420
 2229   2HB   ALA 219          2HB       ALA 219  19.151   3.257 -14.566
 2230   3HB   ALA 219          3HB       ALA 219  18.285   1.746 -14.844
 2231    H    THR 220           H        THR 220  16.618   4.875 -14.794
 2232    HA   THR 220           HA       THR 220  14.486   3.268 -16.094
 2233    HB   THR 220           HB       THR 220  13.480   4.165 -14.042
 2234    HG1  THR 220           HG1      THR 220  12.676   5.858 -16.151
 2235   1HG2  THR 220          1HG2      THR 220  15.045   6.524 -14.846
 2236   2HG2  THR 220          2HG2      THR 220  14.501   6.029 -13.243
 2237   3HG2  THR 220          3HG2      THR 220  13.408   6.905 -14.314
 2238    H    GLY 221           H        GLY 221  16.545   3.999 -17.580
 2239   1HA   GLY 221          1HA       GLY 221  15.469   5.911 -19.455
 2240   2HA   GLY 221          2HA       GLY 221  16.818   6.609 -18.559
 2241   1HN   SAH 301          1HN       SAH 301 -12.230  -0.780  -8.653
 2242   2HN   SAH 301          2HN       SAH 301 -11.633   0.146  -9.949
 2243    HA   SAH 301           HA       SAH 301 -11.993   2.143  -8.319
 2244   1HB   SAH 301          1HB       SAH 301 -11.994  -0.392  -6.675
 2245   2HB   SAH 301          2HB       SAH 301 -11.442   1.131  -5.982
 2246   1HG   SAH 301          1HG       SAH 301 -13.938   0.537  -5.687
 2247   2HG   SAH 301          2HG       SAH 301 -14.098   0.921  -7.401
 2248   1H5*  SAH 301          1H5*      SAH 301 -15.793   2.448  -6.928
 2249   2H5*  SAH 301          2H5*      SAH 301 -15.528   4.166  -6.633
 2250    H4*  SAH 301           H4*      SAH 301 -13.755   3.846  -8.523
 2251    H3*  SAH 301           H3*      SAH 301 -16.474   4.759  -8.317
 2252   *HO3  SAH 301          *HO3      SAH 301 -14.135   5.358  -9.609
 2253    H2*  SAH 301           H2*      SAH 301 -17.535   3.606  -9.914
 2254   *HO2  SAH 301          *HO2      SAH 301 -16.446   3.598 -12.091
 2255    H1*  SAH 301           H1*      SAH 301 -15.444   2.035 -11.105
 2256    H8   SAH 301           H8       SAH 301 -16.338   0.397  -7.992
 2257   1HN6  SAH 301          1HN6      SAH 301 -21.775  -1.255 -10.113
 2258   2HN6  SAH 301          2HN6      SAH 301 -21.103  -0.742  -8.581
 2259    H2   SAH 301           H2       SAH 301 -20.042   1.803 -13.013
 2260   1HN   SAH 302          1HN       SAH 302  12.289  -0.757   8.657
 2261   2HN   SAH 302          2HN       SAH 302  11.703   0.165   9.958
 2262    HA   SAH 302           HA       SAH 302  12.046   2.163   8.330
 2263   1HB   SAH 302          1HB       SAH 302  12.043  -0.373   6.684
 2264   2HB   SAH 302          2HB       SAH 302  11.482   1.150   5.993
 2265   1HG   SAH 302          1HG       SAH 302  13.978   0.563   5.683
 2266   2HG   SAH 302          2HG       SAH 302  14.148   0.945   7.396
 2267   1H5*  SAH 302          1H5*      SAH 302  15.836   2.476   6.914
 2268   2H5*  SAH 302          2H5*      SAH 302  15.566   4.194   6.621
 2269    H4*  SAH 302           H4*      SAH 302  13.805   3.870   8.522
 2270    H3*  SAH 302           H3*      SAH 302  16.521   4.789   8.299
 2271   *HO3  SAH 302          *HO3      SAH 302  14.189   5.382   9.604
 2272    H2*  SAH 302           H2*      SAH 302  17.595   3.637   9.889
 2273   *HO2  SAH 302          *HO2      SAH 302  16.520   3.626  12.072
 2274    H1*  SAH 302           H1*      SAH 302  15.514   2.061  11.092
 2275    H8   SAH 302           H8       SAH 302  16.391   0.425   7.972
 2276   1HN6  SAH 302          1HN6      SAH 302  21.846  -1.213  10.060
 2277   2HN6  SAH 302          2HN6      SAH 302  21.164  -0.703   8.532
 2278    H2   SAH 302           H2       SAH 302  20.125   1.839  12.971
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1  -0.311 -11.137  -7.318
    2   2H    MET   1          2H        MET   1  -0.811 -12.435  -8.292
    3   3H    MET   1          3H        MET   1  -1.290 -12.360  -6.664
    4    HA   MET   1           HA       MET   1  -2.464 -10.208  -7.234
    5   1HB   MET   1          1HB       MET   1  -1.355 -11.224  -9.826
    6   2HB   MET   1          2HB       MET   1  -2.918 -10.410  -9.870
    7   1HG   MET   1          1HG       MET   1  -0.457  -9.242  -8.541
    8   2HG   MET   1          2HG       MET   1  -0.936  -8.875 -10.199
    9   1HE   MET   1          1HE       MET   1  -0.415  -7.381  -7.478
   10   2HE   MET   1          2HE       MET   1  -1.637  -7.985  -6.359
   11   3HE   MET   1          3HE       MET   1  -1.738  -6.333  -6.967
   12    H    PHE   2           H        PHE   2  -2.455 -13.495  -8.563
   13    HA   PHE   2           HA       PHE   2  -5.395 -13.650  -7.979
   14   1HB   PHE   2          1HB       PHE   2  -5.369 -15.300  -9.954
   15   2HB   PHE   2          2HB       PHE   2  -5.128 -13.603 -10.362
   16    HD1  PHE   2           HD1      PHE   2  -3.601 -16.926 -10.236
   17    HD2  PHE   2           HD2      PHE   2  -2.859 -12.747 -10.896
   18    HE1  PHE   2           HE1      PHE   2  -1.421 -17.477 -11.284
   19    HE2  PHE   2           HE2      PHE   2  -0.680 -13.297 -11.943
   20    HZ   PHE   2           HZ       PHE   2   0.038 -15.661 -12.137
   21    H    ASN   3           H        ASN   3  -5.520 -14.921  -6.170
   22    HA   ASN   3           HA       ASN   3  -3.811 -17.385  -6.060
   23   1HB   ASN   3          1HB       ASN   3  -3.340 -15.702  -4.325
   24   2HB   ASN   3          2HB       ASN   3  -5.046 -15.658  -3.881
   25   1HD2  ASN   3          1HD2      ASN   3  -2.097 -17.091  -3.060
   26   2HD2  ASN   3          2HD2      ASN   3  -2.693 -18.433  -2.209
   27    H    ASP   4           H        ASP   4  -4.862 -19.334  -5.372
   28    HA   ASP   4           HA       ASP   4  -7.408 -19.932  -6.322
   29   1HB   ASP   4          1HB       ASP   4  -7.240 -21.879  -4.791
   30   2HB   ASP   4          2HB       ASP   4  -5.684 -21.538  -5.547
   31    H    ARG   5           H        ARG   5  -6.570 -18.378  -3.274
   32    HA   ARG   5           HA       ARG   5  -9.189 -18.728  -2.048
   33   1HB   ARG   5          1HB       ARG   5  -6.600 -17.355  -1.538
   34   2HB   ARG   5          2HB       ARG   5  -8.008 -16.643  -0.750
   35   1HG   ARG   5          1HG       ARG   5  -8.269 -19.435  -0.420
   36   2HG   ARG   5          2HG       ARG   5  -6.580 -19.065  -0.072
   37   1HD   ARG   5          1HD       ARG   5  -7.537 -17.108   1.367
   38   2HD   ARG   5          2HD       ARG   5  -9.057 -18.020   1.299
   39    HE   ARG   5           HE       ARG   5  -8.058 -19.670   2.673
   40   1HH1  ARG   5          1HH1      ARG   5  -5.639 -17.615   1.242
   41   2HH1  ARG   5          2HH1      ARG   5  -4.346 -18.324   2.145
   42   1HH2  ARG   5          1HH2      ARG   5  -6.362 -20.574   3.833
   43   2HH2  ARG   5          2HH2      ARG   5  -4.749 -19.986   3.602
   44    H    VAL   6           H        VAL   6  -7.522 -15.991  -3.650
   45    HA   VAL   6           HA       VAL   6 -10.146 -14.913  -4.498
   46    HB   VAL   6           HB       VAL   6  -9.618 -12.723  -3.400
   47   1HG1  VAL   6          1HG1      VAL   6  -9.512 -14.949  -1.356
   48   2HG1  VAL   6          2HG1      VAL   6 -10.967 -14.602  -2.290
   49   3HG1  VAL   6          3HG1      VAL   6 -10.298 -13.377  -1.211
   50   1HG2  VAL   6          1HG2      VAL   6  -7.250 -14.324  -2.422
   51   2HG2  VAL   6          2HG2      VAL   6  -7.821 -12.895  -1.562
   52   3HG2  VAL   6          3HG2      VAL   6  -7.250 -12.754  -3.224
   53    H    ILE   7           H        ILE   7  -9.886 -13.255  -6.157
   54    HA   ILE   7           HA       ILE   7  -7.106 -13.059  -7.268
   55    HB   ILE   7           HB       ILE   7  -8.520 -14.696  -8.480
   56   1HG1  ILE   7          1HG1      ILE   7  -8.299 -12.171 -10.133
   57   2HG1  ILE   7          2HG1      ILE   7  -6.892 -13.130  -9.675
   58   1HG2  ILE   7          1HG2      ILE   7 -10.712 -14.319  -8.833
   59   2HG2  ILE   7          2HG2      ILE   7 -10.361 -12.809  -9.674
   60   3HG2  ILE   7          3HG2      ILE   7 -10.544 -12.820  -7.921
   61   1HD1  ILE   7          1HD1      ILE   7  -9.104 -14.721 -10.790
   62   2HD1  ILE   7          2HD1      ILE   7  -7.383 -14.768 -11.170
   63   3HD1  ILE   7          3HD1      ILE   7  -8.420 -13.558 -11.926
   64    H    VAL   8           H        VAL   8  -6.703 -11.087  -8.480
   65    HA   VAL   8           HA       VAL   8  -8.385  -8.817  -7.551
   66    HB   VAL   8           HB       VAL   8  -5.948  -8.823  -7.151
   67   1HG1  VAL   8          1HG1      VAL   8  -4.518  -9.597  -8.708
   68   2HG1  VAL   8          2HG1      VAL   8  -5.047  -8.360  -9.848
   69   3HG1  VAL   8          3HG1      VAL   8  -5.889  -9.906  -9.772
   70   1HG2  VAL   8          1HG2      VAL   8  -5.857  -6.588  -7.497
   71   2HG2  VAL   8          2HG2      VAL   8  -7.441  -6.755  -8.254
   72   3HG2  VAL   8          3HG2      VAL   8  -5.983  -6.778  -9.246
   73    H    LYS   9           H        LYS   9  -9.636  -7.647  -8.951
   74    HA   LYS   9           HA       LYS   9  -9.247  -8.048 -11.891
   75   1HB   LYS   9          1HB       LYS   9 -11.850  -7.871 -10.343
   76   2HB   LYS   9          2HB       LYS   9 -11.691  -8.158 -12.074
   77   1HG   LYS   9          1HG       LYS   9 -10.045 -10.078 -10.819
   78   2HG   LYS   9          2HG       LYS   9 -11.553 -10.059  -9.910
   79   1HD   LYS   9          1HD       LYS   9 -12.833 -10.669 -11.771
   80   2HD   LYS   9          2HD       LYS   9 -11.623 -10.085 -12.913
   81   1HE   LYS   9          1HE       LYS   9 -10.269 -12.057 -11.470
   82   2HE   LYS   9          2HE       LYS   9 -11.889 -12.736 -11.720
   83   1HZ   LYS   9          1HZ       LYS   9 -10.427 -13.133 -13.637
   84   2HZ   LYS   9          2HZ       LYS   9 -10.211 -11.458 -13.822
   85   3HZ   LYS   9          3HZ       LYS   9 -11.746 -12.147 -14.054
   86    H    LYS  10           H        LYS  10  -9.834  -4.512 -12.326
   87    HA   LYS  10           HA       LYS  10  -9.344  -5.477 -14.392
   88   1HB   LYS  10          1HB       LYS  10  -7.783  -6.848 -12.287
   89   2HB   LYS  10          2HB       LYS  10  -7.867  -7.710 -13.823
   90   1HG   LYS  10          1HG       LYS  10  -6.785  -6.009 -14.987
   91   2HG   LYS  10          2HG       LYS  10  -7.284  -4.767 -13.837
   92   1HD   LYS  10          1HD       LYS  10  -5.739  -5.687 -12.156
   93   2HD   LYS  10          2HD       LYS  10  -5.255  -6.955 -13.282
   94   1HE   LYS  10          1HE       LYS  10  -4.733  -4.884 -14.871
   95   2HE   LYS  10          2HE       LYS  10  -4.592  -4.030 -13.323
   96   1HZ   LYS  10          1HZ       LYS  10  -3.299  -6.648 -13.878
   97   2HZ   LYS  10          2HZ       LYS  10  -3.031  -5.626 -12.548
   98   3HZ   LYS  10          3HZ       LYS  10  -2.505  -5.162 -14.095
   99    H    SER  11           H        SER  11 -11.857  -5.999 -14.084
  100    HA   SER  11           HA       SER  11 -12.230  -8.961 -14.369
  101   1HB   SER  11          1HB       SER  11 -14.253  -8.682 -13.251
  102   2HB   SER  11          2HB       SER  11 -13.357  -7.336 -12.550
  103    HG   SER  11           HG       SER  11 -14.241  -6.132 -14.449
  104    HA   PRO  12           HA       PRO  12 -13.914  -8.569 -18.410
  105   1HB   PRO  12          1HB       PRO  12 -16.709  -9.180 -17.651
  106   2HB   PRO  12          2HB       PRO  12 -15.601 -10.109 -18.674
  107   1HG   PRO  12          1HG       PRO  12 -16.316 -10.902 -16.199
  108   2HG   PRO  12          2HG       PRO  12 -14.737 -11.269 -16.908
  109   1HD   PRO  12          1HD       PRO  12 -15.463  -9.248 -14.843
  110   2HD   PRO  12          2HD       PRO  12 -13.984 -10.218 -15.011
  111    H    LEU  13           H        LEU  13 -16.721  -7.507 -16.439
  112    HA   LEU  13           HA       LEU  13 -16.699  -4.943 -17.999
  113   1HB   LEU  13          1HB       LEU  13 -18.656  -6.988 -17.591
  114   2HB   LEU  13          2HB       LEU  13 -19.228  -5.537 -16.768
  115    HG   LEU  13           HG       LEU  13 -18.101  -5.308 -19.543
  116   1HD1  LEU  13          1HD1      LEU  13 -19.704  -6.677 -20.354
  117   2HD1  LEU  13          2HD1      LEU  13 -20.873  -5.460 -19.840
  118   3HD1  LEU  13          3HD1      LEU  13 -20.480  -6.810 -18.776
  119   1HD2  LEU  13          1HD2      LEU  13 -19.029  -3.485 -17.744
  120   2HD2  LEU  13          2HD2      LEU  13 -20.507  -3.836 -18.640
  121   3HD2  LEU  13          3HD2      LEU  13 -19.079  -3.246 -19.491
  122    H    GLY  14           H        GLY  14 -16.769  -6.420 -14.830
  123   1HA   GLY  14          1HA       GLY  14 -17.728  -4.166 -13.339
  124   2HA   GLY  14          2HA       GLY  14 -16.752  -5.476 -12.678
  125    H    GLY  15           H        GLY  15 -16.193  -3.024 -11.707
  126   1HA   GLY  15          1HA       GLY  15 -13.988  -1.851 -13.292
  127   2HA   GLY  15          2HA       GLY  15 -14.651  -1.192 -11.797
  128    H    TYR  16           H        TYR  16 -12.370  -1.031 -11.077
  129    HA   TYR  16           HA       TYR  16 -10.766  -3.431 -10.726
  130   1HB   TYR  16          1HB       TYR  16 -10.656  -0.534 -10.205
  131   2HB   TYR  16          2HB       TYR  16  -9.813  -1.491  -8.990
  132    HD1  TYR  16           HD1      TYR  16 -10.292  -1.730 -12.712
  133    HD2  TYR  16           HD2      TYR  16  -7.539  -1.687  -9.415
  134    HE1  TYR  16           HE1      TYR  16  -8.403  -2.066 -14.284
  135    HE2  TYR  16           HE2      TYR  16  -5.651  -2.024 -10.986
  136    HH   TYR  16           HH       TYR  16  -5.446  -1.399 -13.771
  137    H    GLY  17           H        GLY  17 -12.396  -4.783  -9.583
  138   1HA   GLY  17          1HA       GLY  17 -12.584  -4.074  -6.679
  139   2HA   GLY  17          2HA       GLY  17 -13.885  -4.912  -7.527
  140    H    VAL  18           H        VAL  18 -13.364  -6.538  -5.652
  141    HA   VAL  18           HA       VAL  18 -11.023  -8.240  -6.452
  142    HB   VAL  18           HB       VAL  18 -12.596  -7.878  -3.882
  143   1HG1  VAL  18          1HG1      VAL  18 -11.915 -10.236  -4.124
  144   2HG1  VAL  18          2HG1      VAL  18 -10.952  -9.441  -2.878
  145   3HG1  VAL  18          3HG1      VAL  18 -10.263  -9.728  -4.475
  146   1HG2  VAL  18          1HG2      VAL  18 -11.079  -6.068  -4.194
  147   2HG2  VAL  18          2HG2      VAL  18  -9.822  -7.133  -4.822
  148   3HG2  VAL  18          3HG2      VAL  18 -10.247  -7.183  -3.110
  149    H    PHE  19           H        PHE  19 -11.369 -10.478  -6.795
  150    HA   PHE  19           HA       PHE  19 -14.244 -11.279  -7.091
  151   1HB   PHE  19          1HB       PHE  19 -11.792 -11.543  -8.690
  152   2HB   PHE  19          2HB       PHE  19 -12.670 -13.062  -8.524
  153    HD1  PHE  19           HD1      PHE  19 -14.010 -13.455 -10.391
  154    HD2  PHE  19           HD2      PHE  19 -13.738  -9.472  -8.806
  155    HE1  PHE  19           HE1      PHE  19 -15.676 -12.679 -12.056
  156    HE2  PHE  19           HE2      PHE  19 -15.404  -8.696 -10.471
  157    HZ   PHE  19           HZ       PHE  19 -16.373 -10.299 -12.096
  158    H    ALA  20           H        ALA  20 -14.910 -12.753  -5.589
  159    HA   ALA  20           HA       ALA  20 -12.892 -14.206  -3.984
  160   1HB   ALA  20          1HB       ALA  20 -14.528 -14.088  -2.394
  161   2HB   ALA  20          2HB       ALA  20 -15.767 -14.663  -3.510
  162   3HB   ALA  20          3HB       ALA  20 -15.314 -12.958  -3.497
  163    H    ARG  21           H        ARG  21 -12.173 -15.838  -5.481
  164    HA   ARG  21           HA       ARG  21 -13.863 -17.539  -7.034
  165   1HB   ARG  21          1HB       ARG  21 -11.155 -17.153  -6.534
  166   2HB   ARG  21          2HB       ARG  21 -11.450 -18.766  -5.882
  167   1HG   ARG  21          1HG       ARG  21 -11.235 -19.480  -8.023
  168   2HG   ARG  21          2HG       ARG  21 -12.850 -18.814  -8.265
  169   1HD   ARG  21          1HD       ARG  21 -12.057 -17.074  -9.515
  170   2HD   ARG  21          2HD       ARG  21 -10.678 -16.812  -8.431
  171    HE   ARG  21           HE       ARG  21 -10.703 -18.547 -10.786
  172   1HH1  ARG  21          1HH1      ARG  21  -9.310 -17.965  -7.650
  173   2HH1  ARG  21          2HH1      ARG  21  -7.850 -18.815  -8.019
  174   1HH2  ARG  21          1HH2      ARG  21  -8.801 -19.645 -11.242
  175   2HH2  ARG  21          2HH2      ARG  21  -7.561 -19.761 -10.038
  176    H    LYS  22           H        LYS  22 -13.183 -17.427  -3.626
  177    HA   LYS  22           HA       LYS  22 -14.168 -20.168  -3.116
  178   1HB   LYS  22          1HB       LYS  22 -12.742 -17.972  -1.738
  179   2HB   LYS  22          2HB       LYS  22 -13.806 -18.923  -0.713
  180   1HG   LYS  22          1HG       LYS  22 -12.717 -20.992  -1.457
  181   2HG   LYS  22          2HG       LYS  22 -11.651 -20.053  -2.504
  182   1HD   LYS  22          1HD       LYS  22 -10.385 -20.412  -0.536
  183   2HD   LYS  22          2HD       LYS  22 -10.988 -18.767  -0.370
  184   1HE   LYS  22          1HE       LYS  22 -12.573 -19.385   1.256
  185   2HE   LYS  22          2HE       LYS  22 -12.559 -21.087   0.756
  186   1HZ   LYS  22          1HZ       LYS  22 -10.295 -19.604   1.998
  187   2HZ   LYS  22          2HZ       LYS  22 -10.235 -21.217   1.468
  188   3HZ   LYS  22          3HZ       LYS  22 -11.244 -20.786   2.764
  189    H    SER  23           H        SER  23 -17.200 -19.083  -1.293
  190    HA   SER  23           HA       SER  23 -14.782 -20.855  -1.241
  191   1HB   SER  23          1HB       SER  23 -17.116 -21.756   0.234
  192   2HB   SER  23          2HB       SER  23 -17.568 -21.285  -1.404
  193    HG   SER  23           HG       SER  23 -16.159 -23.433  -0.550
  194    H    PHE  24           H        PHE  24 -16.518 -18.465   0.558
  195    HA   PHE  24           HA       PHE  24 -14.797 -19.057   2.934
  196   1HB   PHE  24          1HB       PHE  24 -15.969 -16.590   1.646
  197   2HB   PHE  24          2HB       PHE  24 -15.436 -16.542   3.326
  198    HD1  PHE  24           HD1      PHE  24 -13.049 -17.138   3.887
  199    HD2  PHE  24           HD2      PHE  24 -14.404 -16.579  -0.150
  200    HE1  PHE  24           HE1      PHE  24 -10.701 -16.872   3.136
  201    HE2  PHE  24           HE2      PHE  24 -12.056 -16.313  -0.902
  202    HZ   PHE  24           HZ       PHE  24 -10.205 -16.459   0.741
  203    H    GLU  25           H        GLU  25 -15.750 -19.022   5.019
  204    HA   GLU  25           HA       GLU  25 -18.668 -19.521   5.081
  205   1HB   GLU  25          1HB       GLU  25 -16.256 -20.201   6.589
  206   2HB   GLU  25          2HB       GLU  25 -17.566 -19.691   7.655
  207   1HG   GLU  25          1HG       GLU  25 -18.400 -21.777   7.431
  208   2HG   GLU  25          2HG       GLU  25 -18.816 -21.335   5.776
  209    H    LYS  26           H        LYS  26 -19.189 -18.616   7.708
  210    HA   LYS  26           HA       LYS  26 -19.309 -15.686   7.238
  211   1HB   LYS  26          1HB       LYS  26 -21.273 -17.237   7.837
  212   2HB   LYS  26          2HB       LYS  26 -20.568 -17.333   9.451
  213   1HG   LYS  26          1HG       LYS  26 -20.686 -14.871   9.645
  214   2HG   LYS  26          2HG       LYS  26 -21.399 -14.780   8.034
  215   1HD   LYS  26          1HD       LYS  26 -23.246 -16.300   8.879
  216   2HD   LYS  26          2HD       LYS  26 -22.585 -16.081  10.500
  217   1HE   LYS  26          1HE       LYS  26 -22.737 -13.483   9.700
  218   2HE   LYS  26          2HE       LYS  26 -24.111 -14.172   8.815
  219   1HZ   LYS  26          1HZ       LYS  26 -23.536 -14.489  11.719
  220   2HZ   LYS  26          2HZ       LYS  26 -24.801 -15.266  10.893
  221   3HZ   LYS  26          3HZ       LYS  26 -24.798 -13.574  11.044
  222    H    GLY  27           H        GLY  27 -16.829 -15.757   7.768
  223   1HA   GLY  27          1HA       GLY  27 -15.992 -14.365   9.847
  224   2HA   GLY  27          2HA       GLY  27 -16.346 -15.867  10.701
  225    H    GLU  28           H        GLU  28 -14.582 -14.779   7.776
  226    HA   GLU  28           HA       GLU  28 -12.321 -16.547   8.618
  227   1HB   GLU  28          1HB       GLU  28 -13.988 -16.548   6.137
  228   2HB   GLU  28          2HB       GLU  28 -12.264 -16.862   5.945
  229   1HG   GLU  28          1HG       GLU  28 -12.480 -18.608   7.762
  230   2HG   GLU  28          2HG       GLU  28 -14.226 -18.384   7.680
  231    H    LEU  29           H        LEU  29 -10.508 -15.291   8.719
  232    HA   LEU  29           HA       LEU  29 -10.392 -12.593   7.751
  233   1HB   LEU  29          1HB       LEU  29  -9.097 -13.861   9.625
  234   2HB   LEU  29          2HB       LEU  29  -8.022 -14.387   8.332
  235    HG   LEU  29           HG       LEU  29  -7.203 -12.326   9.473
  236   1HD1  LEU  29          1HD1      LEU  29  -6.947 -12.885   6.930
  237   2HD1  LEU  29          2HD1      LEU  29  -6.506 -11.276   7.501
  238   3HD1  LEU  29          3HD1      LEU  29  -8.057 -11.534   6.700
  239   1HD2  LEU  29          1HD2      LEU  29  -9.078 -10.500   8.221
  240   2HD2  LEU  29          2HD2      LEU  29  -8.569 -10.589   9.907
  241   3HD2  LEU  29          3HD2      LEU  29  -9.908 -11.584   9.335
  242    H    VAL  30           H        VAL  30 -10.299 -12.061   5.617
  243    HA   VAL  30           HA       VAL  30  -9.048 -13.924   3.673
  244    HB   VAL  30           HB       VAL  30 -10.617 -11.329   3.419
  245   1HG1  VAL  30          1HG1      VAL  30  -8.934 -12.546   1.536
  246   2HG1  VAL  30          2HG1      VAL  30 -10.180 -11.342   1.205
  247   3HG1  VAL  30          3HG1      VAL  30 -10.559 -13.060   1.083
  248   1HG2  VAL  30          1HG2      VAL  30 -12.413 -12.877   2.615
  249   2HG2  VAL  30          2HG2      VAL  30 -11.971 -13.154   4.300
  250   3HG2  VAL  30          3HG2      VAL  30 -11.379 -14.241   3.043
  251    H    GLU  31           H        GLU  31  -6.876 -13.384   4.718
  252    HA   GLU  31           HA       GLU  31  -4.779 -12.321   4.582
  253   1HB   GLU  31          1HB       GLU  31  -5.294 -12.606   2.168
  254   2HB   GLU  31          2HB       GLU  31  -6.125 -11.052   2.167
  255   1HG   GLU  31          1HG       GLU  31  -4.187  -9.882   2.108
  256   2HG   GLU  31          2HG       GLU  31  -3.415 -10.932   3.297
  257    H    GLU  32           H        GLU  32  -3.741 -10.300   5.108
  258    HA   GLU  32           HA       GLU  32  -5.393  -7.874   5.421
  259   1HB   GLU  32          1HB       GLU  32  -4.977  -7.872   7.897
  260   2HB   GLU  32          2HB       GLU  32  -5.961  -9.243   7.384
  261   1HG   GLU  32          1HG       GLU  32  -4.096 -10.740   7.499
  262   2HG   GLU  32          2HG       GLU  32  -2.953  -9.408   7.669
  263    H    CYS  33           H        CYS  33  -4.027  -6.024   6.153
  264    HA   CYS  33           HA       CYS  33  -1.096  -6.486   6.159
  265   1HB   CYS  33          1HB       CYS  33  -2.353  -6.079   3.798
  266   2HB   CYS  33          2HB       CYS  33  -2.118  -4.400   4.284
  267    HG   CYS  33           HG       CYS  33   0.502  -5.639   4.705
  268    H    LEU  34           H        LEU  34  -0.170  -3.947   6.032
  269    HA   LEU  34           HA       LEU  34  -1.294  -2.714   8.476
  270   1HB   LEU  34          1HB       LEU  34   1.111  -2.045   6.736
  271   2HB   LEU  34          2HB       LEU  34   0.798  -1.399   8.346
  272    HG   LEU  34           HG       LEU  34   1.080  -4.359   7.758
  273   1HD1  LEU  34          1HD1      LEU  34   3.094  -2.265   8.021
  274   2HD1  LEU  34          2HD1      LEU  34   3.293  -3.953   7.550
  275   3HD1  LEU  34          3HD1      LEU  34   3.277  -3.510   9.257
  276   1HD2  LEU  34          1HD2      LEU  34   0.670  -2.662  10.187
  277   2HD2  LEU  34          2HD2      LEU  34   1.667  -4.109  10.344
  278   3HD2  LEU  34          3HD2      LEU  34  -0.004  -4.244   9.798
  279    H    CYS  35           H        CYS  35  -0.837  -0.060   8.160
  280    HA   CYS  35           HA       CYS  35  -2.128   0.836   5.632
  281   1HB   CYS  35          1HB       CYS  35  -3.220   0.960   8.441
  282   2HB   CYS  35          2HB       CYS  35  -3.668   2.207   7.279
  283    HG   CYS  35           HG       CYS  35  -4.071  -0.657   6.244
  284    H    ILE  36           H        ILE  36  -1.978   3.232   5.409
  285    HA   ILE  36           HA       ILE  36   0.463   4.266   6.791
  286    HB   ILE  36           HB       ILE  36  -1.123   5.484   4.505
  287   1HG1  ILE  36          1HG1      ILE  36   1.218   3.555   4.357
  288   2HG1  ILE  36          2HG1      ILE  36  -0.448   3.167   3.926
  289   1HG2  ILE  36          1HG2      ILE  36   0.505   6.949   5.648
  290   2HG2  ILE  36          2HG2      ILE  36   1.024   6.578   4.004
  291   3HG2  ILE  36          3HG2      ILE  36   1.770   5.751   5.371
  292   1HD1  ILE  36          1HD1      ILE  36  -0.334   4.294   1.947
  293   2HD1  ILE  36          2HD1      ILE  36   1.406   4.079   2.143
  294   3HD1  ILE  36          3HD1      ILE  36   0.644   5.593   2.631
  295    H    VAL  37           H        VAL  37  -0.229   5.080   8.776
  296    HA   VAL  37           HA       VAL  37  -2.749   6.583   8.970
  297    HB   VAL  37           HB       VAL  37  -0.552   6.059  11.008
  298   1HG1  VAL  37          1HG1      VAL  37  -3.443   6.258  11.705
  299   2HG1  VAL  37          2HG1      VAL  37  -2.624   7.760  11.267
  300   3HG1  VAL  37          3HG1      VAL  37  -2.028   6.792  12.616
  301   1HG2  VAL  37          1HG2      VAL  37  -3.064   4.439  10.528
  302   2HG2  VAL  37          2HG2      VAL  37  -1.734   4.054  11.623
  303   3HG2  VAL  37          3HG2      VAL  37  -1.488   3.988   9.877
  304    H    ARG  38           H        ARG  38  -2.892   8.776   8.842
  305    HA   ARG  38           HA       ARG  38  -0.515  10.447   9.482
  306   1HB   ARG  38          1HB       ARG  38  -1.979  10.190   6.857
  307   2HB   ARG  38          2HB       ARG  38  -1.153  11.692   7.267
  308   1HG   ARG  38          1HG       ARG  38   0.122   8.939   7.190
  309   2HG   ARG  38          2HG       ARG  38   0.328  10.199   5.974
  310   1HD   ARG  38          1HD       ARG  38   0.984  11.581   8.242
  311   2HD   ARG  38          2HD       ARG  38   1.566   9.956   8.653
  312    HE   ARG  38           HE       ARG  38   2.235  10.769   5.925
  313   1HH1  ARG  38          1HH1      ARG  38   3.191  10.853   9.271
  314   2HH1  ARG  38          2HH1      ARG  38   4.865  11.078   8.901
  315   1HH2  ARG  38          1HH2      ARG  38   4.413  11.061   5.470
  316   2HH2  ARG  38          2HH2      ARG  38   5.555  11.195   6.766
  317    H    HIS  39           H        HIS  39  -1.114  12.623  10.064
  318    HA   HIS  39           HA       HIS  39  -3.659  12.941  11.331
  319   1HB   HIS  39          1HB       HIS  39  -1.298  14.633  10.589
  320   2HB   HIS  39          2HB       HIS  39  -2.763  15.457  11.122
  321    HD1  HIS  39           HD1      HIS  39  -1.103  16.064  13.236
  322    HD2  HIS  39           HD2      HIS  39  -2.412  12.115  12.946
  323    HE1  HIS  39           HE1      HIS  39  -0.731  15.017  15.512
  324    H    ASN  40           H        ASN  40  -4.949  15.122  10.699
  325    HA   ASN  40           HA       ASN  40  -5.967  14.642   7.967
  326   1HB   ASN  40          1HB       ASN  40  -7.422  14.879   9.985
  327   2HB   ASN  40          2HB       ASN  40  -6.843  16.534  10.181
  328   1HD2  ASN  40          1HD2      ASN  40  -9.334  16.909   9.863
  329   2HD2  ASN  40          2HD2      ASN  40  -9.868  17.112   8.264
  330    H    ASP  41           H        ASP  41  -4.907  15.709   6.348
  331    HA   ASP  41           HA       ASP  41  -4.804  18.586   6.232
  332   1HB   ASP  41          1HB       ASP  41  -2.948  17.675   7.917
  333   2HB   ASP  41          2HB       ASP  41  -2.064  17.361   6.424
  334    H    ASP  42           H        ASP  42  -2.195  18.379   4.606
  335    HA   ASP  42           HA       ASP  42  -3.219  18.019   2.018
  336   1HB   ASP  42          1HB       ASP  42  -0.456  17.483   3.172
  337   2HB   ASP  42          2HB       ASP  42  -0.789  17.641   1.447
  338    H    TRP  43           H        TRP  43  -2.263  15.626   4.372
  339    HA   TRP  43           HA       TRP  43  -1.832  13.336   2.768
  340   1HB   TRP  43          1HB       TRP  43  -1.403  13.365   5.141
  341   2HB   TRP  43          2HB       TRP  43  -3.061  13.835   5.500
  342    HD1  TRP  43           HD1      TRP  43  -4.469  11.929   6.364
  343    HE1  TRP  43           HE1      TRP  43  -4.520   9.369   6.059
  344    HE3  TRP  43           HE3      TRP  43  -0.613  11.356   3.063
  345    HZ2  TRP  43           HZ2      TRP  43  -3.111   7.350   4.611
  346    HZ3  TRP  43           HZ3      TRP  43   0.009   9.103   2.237
  347    HH2  TRP  43           HH2      TRP  43  -1.235   7.101   3.005
  348    H    GLY  44           H        GLY  44  -4.905  14.124   4.449
  349   1HA   GLY  44          1HA       GLY  44  -6.499  12.270   3.018
  350   2HA   GLY  44          2HA       GLY  44  -7.127  13.710   3.820
  351    H    THR  45           H        THR  45  -5.387  15.483   2.152
  352    HA   THR  45           HA       THR  45  -7.251  15.932  -0.011
  353    HB   THR  45           HB       THR  45  -4.431  16.966   0.478
  354    HG1  THR  45           HG1      THR  45  -5.387  17.784   2.152
  355   1HG2  THR  45          1HG2      THR  45  -5.669  17.310  -1.808
  356   2HG2  THR  45          2HG2      THR  45  -4.910  18.697  -1.027
  357   3HG2  THR  45          3HG2      THR  45  -6.653  18.457  -0.898
  358    H    ALA  46           H        ALA  46  -3.730  15.314  -0.293
  359    HA   ALA  46           HA       ALA  46  -3.777  14.568  -3.026
  360   1HB   ALA  46          1HB       ALA  46  -1.679  15.062  -2.110
  361   2HB   ALA  46          2HB       ALA  46  -1.608  13.301  -2.168
  362   3HB   ALA  46          3HB       ALA  46  -1.985  14.119  -0.651
  363    H    LEU  47           H        LEU  47  -3.874  12.473  -0.117
  364    HA   LEU  47           HA       LEU  47  -4.335  10.092  -1.808
  365   1HB   LEU  47          1HB       LEU  47  -3.844  10.706   1.107
  366   2HB   LEU  47          2HB       LEU  47  -4.413   9.108   0.631
  367    HG   LEU  47           HG       LEU  47  -1.964   9.126   0.745
  368   1HD1  LEU  47          1HD1      LEU  47  -1.875   7.762  -1.047
  369   2HD1  LEU  47          2HD1      LEU  47  -2.121   9.108  -2.160
  370   3HD1  LEU  47          3HD1      LEU  47  -3.510   8.296  -1.437
  371   1HD2  LEU  47          1HD2      LEU  47  -1.891  11.648   0.196
  372   2HD2  LEU  47          2HD2      LEU  47  -1.959  11.149  -1.494
  373   3HD2  LEU  47          3HD2      LEU  47  -0.613  10.636  -0.476
  374    H    GLU  48           H        GLU  48  -6.457  12.056  -1.923
  375    HA   GLU  48           HA       GLU  48  -8.598  11.231  -0.125
  376   1HB   GLU  48          1HB       GLU  48  -9.851  12.839  -1.532
  377   2HB   GLU  48          2HB       GLU  48  -8.303  13.516  -1.055
  378   1HG   GLU  48          1HG       GLU  48  -7.794  13.810  -3.225
  379   2HG   GLU  48          2HG       GLU  48  -7.875  12.066  -3.456
  380    H    ASP  49           H        ASP  49  -7.946   8.848  -1.103
  381    HA   ASP  49           HA       ASP  49 -10.108   8.250  -3.069
  382   1HB   ASP  49          1HB       ASP  49  -7.176   8.049  -3.387
  383   2HB   ASP  49          2HB       ASP  49  -8.051   6.590  -3.854
  384    H    TYR  50           H        TYR  50  -7.488   6.160  -1.896
  385    HA   TYR  50           HA       TYR  50  -9.541   4.356  -0.705
  386   1HB   TYR  50          1HB       TYR  50  -6.568   3.839  -0.972
  387   2HB   TYR  50          2HB       TYR  50  -7.878   2.664  -0.945
  388    HD1  TYR  50           HD1      TYR  50  -5.578   4.264  -3.017
  389    HD2  TYR  50           HD2      TYR  50  -9.715   3.089  -2.931
  390    HE1  TYR  50           HE1      TYR  50  -5.650   4.324  -5.493
  391    HE2  TYR  50           HE2      TYR  50  -9.780   3.153  -5.402
  392    HH   TYR  50           HH       TYR  50  -8.441   3.169  -7.279
  393    H    LEU  51           H        LEU  51  -9.298   6.590   0.832
  394    HA   LEU  51           HA       LEU  51  -7.366   5.905   3.014
  395   1HB   LEU  51          1HB       LEU  51  -7.884   8.224   1.551
  396   2HB   LEU  51          2HB       LEU  51  -8.719   8.510   3.078
  397    HG   LEU  51           HG       LEU  51  -6.574   7.788   4.245
  398   1HD1  LEU  51          1HD1      LEU  51  -5.796   7.567   1.397
  399   2HD1  LEU  51          2HD1      LEU  51  -5.140   6.741   2.810
  400   3HD1  LEU  51          3HD1      LEU  51  -4.626   8.385   2.432
  401   1HD2  LEU  51          1HD2      LEU  51  -5.387  10.016   3.405
  402   2HD2  LEU  51          2HD2      LEU  51  -6.878  10.085   4.345
  403   3HD2  LEU  51          3HD2      LEU  51  -6.933  10.258   2.590
  404    H    PHE  52           H        PHE  52  -8.196   5.282   4.966
  405    HA   PHE  52           HA       PHE  52 -11.136   5.299   5.369
  406   1HB   PHE  52          1HB       PHE  52  -8.712   3.958   6.540
  407   2HB   PHE  52          2HB       PHE  52 -10.181   4.038   7.513
  408    HD1  PHE  52           HD1      PHE  52  -8.458   2.192   5.031
  409    HD2  PHE  52           HD2      PHE  52 -12.407   3.369   6.244
  410    HE1  PHE  52           HE1      PHE  52  -9.418   0.305   3.739
  411    HE2  PHE  52           HE2      PHE  52 -13.367   1.482   4.952
  412    HZ   PHE  52           HZ       PHE  52 -11.872  -0.050   3.699
  413    H    SER  53           H        SER  53 -11.603   5.724   7.925
  414    HA   SER  53           HA       SER  53 -10.048   8.101   8.839
  415   1HB   SER  53          1HB       SER  53 -11.995   9.472   8.849
  416   2HB   SER  53          2HB       SER  53 -12.090   8.603   7.319
  417    HG   SER  53           HG       SER  53 -14.034   8.641   8.705
  418    H    ARG  54           H        ARG  54  -9.601   7.818  10.947
  419    HA   ARG  54           HA       ARG  54 -11.443   6.145  12.615
  420   1HB   ARG  54          1HB       ARG  54  -9.081   5.380  12.223
  421   2HB   ARG  54          2HB       ARG  54  -8.508   6.872  12.967
  422   1HG   ARG  54          1HG       ARG  54 -10.482   5.289  14.529
  423   2HG   ARG  54          2HG       ARG  54  -8.870   4.593  14.365
  424   1HD   ARG  54          1HD       ARG  54  -7.901   6.224  15.660
  425   2HD   ARG  54          2HD       ARG  54  -8.964   7.494  15.020
  426    HE   ARG  54           HE       ARG  54 -10.668   5.814  16.446
  427   1HH1  ARG  54          1HH1      ARG  54  -7.761   7.592  17.161
  428   2HH1  ARG  54          2HH1      ARG  54  -8.178   7.819  18.824
  429   1HH2  ARG  54          1HH2      ARG  54 -11.187   6.122  18.608
  430   2HH2  ARG  54          2HH2      ARG  54 -10.103   6.995  19.639
  431    H    LYS  55           H        LYS  55 -11.399   6.923  15.013
  432    HA   LYS  55           HA       LYS  55 -12.063   9.758  15.064
  433   1HB   LYS  55          1HB       LYS  55 -12.158   7.360  16.834
  434   2HB   LYS  55          2HB       LYS  55 -12.114   8.919  17.656
  435   1HG   LYS  55          1HG       LYS  55 -14.006   9.630  16.076
  436   2HG   LYS  55          2HG       LYS  55 -14.156   7.921  15.663
  437   1HD   LYS  55          1HD       LYS  55 -14.435   7.411  18.100
  438   2HD   LYS  55          2HD       LYS  55 -14.426   9.144  18.427
  439   1HE   LYS  55          1HE       LYS  55 -16.312   8.339  16.299
  440   2HE   LYS  55          2HE       LYS  55 -16.703   7.700  17.907
  441   1HZ   LYS  55          1HZ       LYS  55 -17.621   9.885  17.758
  442   2HZ   LYS  55          2HZ       LYS  55 -16.165  10.530  17.169
  443   3HZ   LYS  55          3HZ       LYS  55 -16.264   9.983  18.774
  444    H    ASN  56           H        ASN  56  -9.723  10.259  14.352
  445    HA   ASN  56           HA       ASN  56  -7.598  10.029  16.317
  446   1HB   ASN  56          1HB       ASN  56  -8.656  12.814  15.833
  447   2HB   ASN  56          2HB       ASN  56  -9.374  11.809  17.091
  448   1HD2  ASN  56          1HD2      ASN  56  -7.976  11.161  18.911
  449   2HD2  ASN  56          2HD2      ASN  56  -6.535  11.996  19.237
  450    H    MET  57           H        MET  57  -8.250   9.669  13.389
  451    HA   MET  57           HA       MET  57  -6.941  11.749  11.877
  452   1HB   MET  57          1HB       MET  57  -4.796  10.598  11.578
  453   2HB   MET  57          2HB       MET  57  -5.056  10.909  13.278
  454   1HG   MET  57          1HG       MET  57  -5.951   8.291  12.137
  455   2HG   MET  57          2HG       MET  57  -4.249   8.555  12.496
  456   1HE   MET  57          1HE       MET  57  -3.871   8.941  16.140
  457   2HE   MET  57          2HE       MET  57  -3.469   9.714  14.606
  458   3HE   MET  57          3HE       MET  57  -3.263   7.972  14.797
  459    H    SER  58           H        SER  58  -5.826  10.353   9.822
  460    HA   SER  58           HA       SER  58  -7.985   8.467   8.927
  461   1HB   SER  58          1HB       SER  58  -7.826   9.498   6.773
  462   2HB   SER  58          2HB       SER  58  -7.783  10.843   7.914
  463    HG   SER  58           HG       SER  58  -5.613  11.008   7.653
  464    H    ALA  59           H        ALA  59  -7.122   6.907   7.199
  465    HA   ALA  59           HA       ALA  59  -4.186   6.461   7.338
  466   1HB   ALA  59          1HB       ALA  59  -5.080   3.949   7.869
  467   2HB   ALA  59          2HB       ALA  59  -6.342   4.892   8.660
  468   3HB   ALA  59          3HB       ALA  59  -4.657   5.100   9.136
  469    H    MET  60           H        MET  60  -3.413   5.092   5.627
  470    HA   MET  60           HA       MET  60  -5.257   4.869   3.319
  471   1HB   MET  60          1HB       MET  60  -2.940   5.782   3.127
  472   2HB   MET  60          2HB       MET  60  -2.305   4.231   3.673
  473   1HG   MET  60          1HG       MET  60  -2.228   4.394   1.212
  474   2HG   MET  60          2HG       MET  60  -3.327   3.115   1.729
  475   1HE   MET  60          1HE       MET  60  -2.537   5.652  -0.361
  476   2HE   MET  60          2HE       MET  60  -3.365   7.033   0.357
  477   3HE   MET  60          3HE       MET  60  -3.991   6.300  -1.120
  478    H    ALA  61           H        ALA  61  -5.634   2.828   2.255
  479    HA   ALA  61           HA       ALA  61  -5.698   0.540   4.101
  480   1HB   ALA  61          1HB       ALA  61  -6.969   1.500   1.651
  481   2HB   ALA  61          2HB       ALA  61  -7.597   0.381   2.861
  482   3HB   ALA  61          3HB       ALA  61  -6.583  -0.218   1.548
  483    H    LEU  62           H        LEU  62  -3.462  -0.063   4.290
  484    HA   LEU  62           HA       LEU  62  -1.554  -1.311   3.695
  485   1HB   LEU  62          1HB       LEU  62  -1.265  -0.646   0.976
  486   2HB   LEU  62          2HB       LEU  62  -2.100   0.732   1.695
  487    HG   LEU  62           HG       LEU  62  -0.343   0.636   3.557
  488   1HD1  LEU  62          1HD1      LEU  62   0.361  -1.714   2.189
  489   2HD1  LEU  62          2HD1      LEU  62   1.261  -0.947   3.497
  490   3HD1  LEU  62          3HD1      LEU  62   1.648  -0.566   1.820
  491   1HD2  LEU  62          1HD2      LEU  62  -0.420   2.117   1.359
  492   2HD2  LEU  62          2HD2      LEU  62   1.006   1.168   0.936
  493   3HD2  LEU  62          3HD2      LEU  62   0.998   2.141   2.407
  494    H    GLY  63           H        GLY  63  -3.961  -2.769   3.566
  495   1HA   GLY  63          1HA       GLY  63  -3.198  -4.981   1.922
  496   2HA   GLY  63          2HA       GLY  63  -4.760  -4.806   2.722
  497    H    PHE  64           H        PHE  64  -6.118  -5.368   1.016
  498    HA   PHE  64           HA       PHE  64  -5.717  -4.136  -1.647
  499   1HB   PHE  64          1HB       PHE  64  -7.570  -6.191  -0.413
  500   2HB   PHE  64          2HB       PHE  64  -7.777  -5.632  -2.072
  501    HD1  PHE  64           HD1      PHE  64  -6.526  -8.265  -0.317
  502    HD2  PHE  64           HD2      PHE  64  -5.220  -5.400  -3.239
  503    HE1  PHE  64           HE1      PHE  64  -4.756  -9.834  -1.064
  504    HE2  PHE  64           HE2      PHE  64  -3.451  -6.970  -3.987
  505    HZ   PHE  64           HZ       PHE  64  -3.219  -9.187  -2.899
  506    H    GLY  65           H        GLY  65  -6.915  -2.871   1.083
  507   1HA   GLY  65          1HA       GLY  65  -9.567  -2.122   0.755
  508   2HA   GLY  65          2HA       GLY  65  -8.359  -1.048   1.455
  509    H    ALA  66           H        ALA  66  -6.788  -0.954  -1.062
  510    HA   ALA  66           HA       ALA  66  -8.072   1.302  -2.311
  511   1HB   ALA  66          1HB       ALA  66  -5.615  -0.270  -2.464
  512   2HB   ALA  66          2HB       ALA  66  -5.860   1.438  -2.825
  513   3HB   ALA  66          3HB       ALA  66  -6.161   0.223  -4.067
  514    H    ILE  67           H        ILE  67  -7.075  -1.626  -4.065
  515    HA   ILE  67           HA       ILE  67  -8.970  -1.392  -6.127
  516    HB   ILE  67           HB       ILE  67  -8.447  -3.857  -6.449
  517   1HG1  ILE  67          1HG1      ILE  67  -6.428  -4.417  -4.740
  518   2HG1  ILE  67          2HG1      ILE  67  -7.450  -3.455  -3.677
  519   1HG2  ILE  67          1HG2      ILE  67  -6.208  -1.902  -5.916
  520   2HG2  ILE  67          2HG2      ILE  67  -6.960  -2.288  -7.465
  521   3HG2  ILE  67          3HG2      ILE  67  -5.951  -3.485  -6.651
  522   1HD1  ILE  67          1HD1      ILE  67  -9.015  -5.325  -5.258
  523   2HD1  ILE  67          2HD1      ILE  67  -8.976  -5.095  -3.510
  524   3HD1  ILE  67          3HD1      ILE  67  -7.795  -6.149  -4.288
  525    H    PHE  68           H        PHE  68  -9.474  -2.470  -2.905
  526    HA   PHE  68           HA       PHE  68 -11.654  -4.232  -3.139
  527   1HB   PHE  68          1HB       PHE  68 -10.376  -2.570  -1.216
  528   2HB   PHE  68          2HB       PHE  68 -12.093  -2.243  -1.120
  529    HD1  PHE  68           HD1      PHE  68 -13.672  -4.025  -0.441
  530    HD2  PHE  68           HD2      PHE  68  -9.466  -4.802  -0.803
  531    HE1  PHE  68           HE1      PHE  68 -13.961  -6.179   0.756
  532    HE2  PHE  68           HE2      PHE  68  -9.752  -6.949   0.391
  533    HZ   PHE  68           HZ       PHE  68 -11.998  -7.639   1.170
  534    H    ASN  69           H        ASN  69 -13.751  -3.954  -3.907
  535    HA   ASN  69           HA       ASN  69 -14.536  -1.185  -4.722
  536   1HB   ASN  69          1HB       ASN  69 -14.912  -3.970  -5.735
  537   2HB   ASN  69          2HB       ASN  69 -16.215  -2.825  -6.051
  538   1HD2  ASN  69          1HD2      ASN  69 -15.200  -3.416  -8.375
  539   2HD2  ASN  69          2HD2      ASN  69 -14.020  -2.323  -8.924
  540    H    HIS  70           H        HIS  70 -17.078  -1.045  -4.860
  541    HA   HIS  70           HA       HIS  70 -18.151  -1.806  -2.175
  542   1HB   HIS  70          1HB       HIS  70 -18.072   0.584  -2.729
  543   2HB   HIS  70          2HB       HIS  70 -18.924   0.287  -4.243
  544    HD1  HIS  70           HD1      HIS  70 -19.510   1.136  -0.762
  545    HD2  HIS  70           HD2      HIS  70 -21.669  -0.817  -3.745
  546    HE1  HIS  70           HE1      HIS  70 -21.924   1.111   0.002
  547    H    SER  71           H        SER  71 -20.392  -2.620  -2.114
  548    HA   SER  71           HA       SER  71 -21.544  -3.533  -4.695
  549   1HB   SER  71          1HB       SER  71 -19.991  -5.298  -4.039
  550   2HB   SER  71          2HB       SER  71 -20.648  -5.318  -2.403
  551    HG   SER  71           HG       SER  71 -21.438  -6.773  -4.384
  552    H    LYS  72           H        LYS  72 -23.791  -3.693  -4.580
  553    HA   LYS  72           HA       LYS  72 -25.258  -2.424  -2.530
  554   1HB   LYS  72          1HB       LYS  72 -25.781  -3.331  -4.990
  555   2HB   LYS  72          2HB       LYS  72 -26.433  -4.702  -4.093
  556   1HG   LYS  72          1HG       LYS  72 -28.270  -3.215  -4.343
  557   2HG   LYS  72          2HG       LYS  72 -27.707  -2.956  -2.692
  558   1HD   LYS  72          1HD       LYS  72 -26.161  -1.146  -3.936
  559   2HD   LYS  72          2HD       LYS  72 -27.513  -1.165  -5.069
  560   1HE   LYS  72          1HE       LYS  72 -28.399  -1.096  -2.271
  561   2HE   LYS  72          2HE       LYS  72 -27.428   0.317  -2.724
  562   1HZ   LYS  72          1HZ       LYS  72 -29.763   0.624  -3.326
  563   2HZ   LYS  72          2HZ       LYS  72 -29.721  -0.786  -4.270
  564   3HZ   LYS  72          3HZ       LYS  72 -28.787   0.561  -4.714
  565    H    ASP  73           H        ASP  73 -24.156  -5.756  -2.809
  566    HA   ASP  73           HA       ASP  73 -25.507  -6.392  -0.207
  567   1HB   ASP  73          1HB       ASP  73 -25.029  -7.798  -2.765
  568   2HB   ASP  73          2HB       ASP  73 -24.693  -8.775  -1.335
  569    HA   PRO  74           HA       PRO  74 -21.094  -5.908   0.924
  570   1HB   PRO  74          1HB       PRO  74 -22.325  -6.341   3.606
  571   2HB   PRO  74          2HB       PRO  74 -21.208  -5.072   3.075
  572   1HG   PRO  74          1HG       PRO  74 -23.819  -4.605   3.490
  573   2HG   PRO  74          2HG       PRO  74 -22.888  -3.758   2.248
  574   1HD   PRO  74          1HD       PRO  74 -24.911  -5.909   1.957
  575   2HD   PRO  74          2HD       PRO  74 -24.488  -4.591   0.845
  576    H    ASN  75           H        ASN  75 -19.885  -7.737   0.676
  577    HA   ASN  75           HA       ASN  75 -20.902 -10.296   1.856
  578   1HB   ASN  75          1HB       ASN  75 -19.413 -11.298   0.093
  579   2HB   ASN  75          2HB       ASN  75 -20.663 -10.253  -0.583
  580   1HD2  ASN  75          1HD2      ASN  75 -19.889  -8.754  -2.071
  581   2HD2  ASN  75          2HD2      ASN  75 -18.301  -8.156  -2.120
  582    H    ALA  76           H        ALA  76 -18.298  -7.982   1.886
  583    HA   ALA  76           HA       ALA  76 -16.960  -9.558   4.028
  584   1HB   ALA  76          1HB       ALA  76 -15.612 -10.278   2.279
  585   2HB   ALA  76          2HB       ALA  76 -14.794  -8.759   2.646
  586   3HB   ALA  76          3HB       ALA  76 -15.938  -8.844   1.306
  587    H    ARG  77           H        ARG  77 -15.750  -8.217   5.468
  588    HA   ARG  77           HA       ARG  77 -15.982  -5.266   4.977
  589   1HB   ARG  77          1HB       ARG  77 -17.025  -7.021   7.079
  590   2HB   ARG  77          2HB       ARG  77 -16.070  -5.692   7.738
  591   1HG   ARG  77          1HG       ARG  77 -17.439  -4.197   6.108
  592   2HG   ARG  77          2HG       ARG  77 -18.550  -5.564   6.029
  593   1HD   ARG  77          1HD       ARG  77 -18.210  -5.387   8.725
  594   2HD   ARG  77          2HD       ARG  77 -18.036  -3.682   8.265
  595    HE   ARG  77           HE       ARG  77 -20.207  -4.526   6.776
  596   1HH1  ARG  77          1HH1      ARG  77 -19.373  -4.670  10.153
  597   2HH1  ARG  77          2HH1      ARG  77 -21.021  -4.609  10.675
  598   1HH2  ARG  77          1HH2      ARG  77 -22.338  -4.446   7.480
  599   2HH2  ARG  77          2HH2      ARG  77 -22.688  -4.483   9.176
  600    H    HIS  78           H        HIS  78 -14.538  -4.251   6.995
  601    HA   HIS  78           HA       HIS  78 -11.915  -5.704   6.927
  602   1HB   HIS  78          1HB       HIS  78 -10.894  -3.446   6.639
  603   2HB   HIS  78          2HB       HIS  78 -12.002  -3.832   5.322
  604    HD1  HIS  78           HD1      HIS  78 -13.387  -1.847   4.759
  605    HD2  HIS  78           HD2      HIS  78 -12.654  -2.073   8.856
  606    HE1  HIS  78           HE1      HIS  78 -14.599   0.111   5.812
  607    H    GLU  79           H        GLU  79 -10.385  -4.597   8.643
  608    HA   GLU  79           HA       GLU  79 -11.938  -3.820  11.081
  609   1HB   GLU  79          1HB       GLU  79 -11.182  -6.337  10.736
  610   2HB   GLU  79          2HB       GLU  79  -9.602  -5.717  11.214
  611   1HG   GLU  79          1HG       GLU  79 -10.464  -4.924  13.318
  612   2HG   GLU  79          2HG       GLU  79 -12.126  -5.246  12.821
  613    H    LEU  80           H        LEU  80 -10.687  -2.566  12.599
  614    HA   LEU  80           HA       LEU  80  -8.083  -1.535  11.517
  615   1HB   LEU  80          1HB       LEU  80 -10.294  -0.091  13.030
  616   2HB   LEU  80          2HB       LEU  80  -8.804   0.651  12.447
  617    HG   LEU  80           HG       LEU  80 -10.846  -0.713  10.665
  618   1HD1  LEU  80          1HD1      LEU  80 -11.945   1.260  10.444
  619   2HD1  LEU  80          2HD1      LEU  80 -10.444   2.187  10.408
  620   3HD1  LEU  80          3HD1      LEU  80 -11.151   1.713  11.953
  621   1HD2  LEU  80          1HD2      LEU  80  -9.049   1.228   9.457
  622   2HD2  LEU  80          2HD2      LEU  80  -9.340  -0.452   9.005
  623   3HD2  LEU  80          3HD2      LEU  80  -8.148  -0.067  10.246
  624    H    THR  81           H        THR  81  -6.396  -1.546  12.984
  625    HA   THR  81           HA       THR  81  -6.807  -2.816  15.595
  626    HB   THR  81           HB       THR  81  -4.192  -1.826  15.437
  627    HG1  THR  81           HG1      THR  81  -4.905  -2.783  12.883
  628   1HG2  THR  81          1HG2      THR  81  -5.619  -4.362  15.125
  629   2HG2  THR  81          2HG2      THR  81  -4.101  -4.024  15.957
  630   3HG2  THR  81          3HG2      THR  81  -4.107  -4.319  14.218
  631    H    ALA  82           H        ALA  82  -5.102  -1.517  17.281
  632    HA   ALA  82           HA       ALA  82  -6.642   0.609  18.349
  633   1HB   ALA  82          1HB       ALA  82  -4.649  -0.947  19.204
  634   2HB   ALA  82          2HB       ALA  82  -4.955   0.619  19.958
  635   3HB   ALA  82          3HB       ALA  82  -3.674   0.453  18.757
  636    H    GLY  83           H        GLY  83  -7.051   2.090  16.560
  637   1HA   GLY  83          1HA       GLY  83  -6.587   4.274  15.725
  638   2HA   GLY  83          2HA       GLY  83  -4.919   4.101  16.267
  639    H    LEU  84           H        LEU  84  -7.074   2.362  13.994
  640    HA   LEU  84           HA       LEU  84  -6.683   1.615  11.798
  641   1HB   LEU  84          1HB       LEU  84  -4.869   4.056  11.908
  642   2HB   LEU  84          2HB       LEU  84  -5.466   3.301  10.434
  643    HG   LEU  84           HG       LEU  84  -7.467   4.112  12.503
  644   1HD1  LEU  84          1HD1      LEU  84  -5.906   5.990  10.721
  645   2HD1  LEU  84          2HD1      LEU  84  -6.198   6.128  12.455
  646   3HD1  LEU  84          3HD1      LEU  84  -7.517   6.389  11.314
  647   1HD2  LEU  84          1HD2      LEU  84  -8.006   4.835   9.760
  648   2HD2  LEU  84          2HD2      LEU  84  -8.862   3.686  10.788
  649   3HD2  LEU  84          3HD2      LEU  84  -7.471   3.156   9.843
  650    H    LYS  85           H        LYS  85  -3.509   2.711  11.274
  651    HA   LYS  85           HA       LYS  85  -1.448   1.616  11.168
  652   1HB   LYS  85          1HB       LYS  85  -2.742   0.871  13.720
  653   2HB   LYS  85          2HB       LYS  85  -1.423  -0.186  13.212
  654   1HG   LYS  85          1HG       LYS  85   0.146   1.435  13.514
  655   2HG   LYS  85          2HG       LYS  85  -0.896   2.689  12.844
  656   1HD   LYS  85          1HD       LYS  85  -1.994   1.756  15.337
  657   2HD   LYS  85          2HD       LYS  85  -0.311   2.224  15.567
  658   1HE   LYS  85          1HE       LYS  85  -0.740   4.441  15.139
  659   2HE   LYS  85          2HE       LYS  85  -1.952   4.059  13.898
  660   1HZ   LYS  85          1HZ       LYS  85  -3.202   4.820  15.712
  661   2HZ   LYS  85          2HZ       LYS  85  -2.240   4.003  16.849
  662   3HZ   LYS  85          3HZ       LYS  85  -3.295   3.129  15.846
  663    H    ARG  86           H        ARG  86  -3.118  -1.197  12.530
  664    HA   ARG  86           HA       ARG  86  -2.411  -2.712  10.070
  665   1HB   ARG  86          1HB       ARG  86  -2.220  -3.169  12.807
  666   2HB   ARG  86          2HB       ARG  86  -3.621  -4.132  12.340
  667   1HG   ARG  86          1HG       ARG  86  -1.933  -4.744  10.308
  668   2HG   ARG  86          2HG       ARG  86  -0.768  -4.465  11.601
  669   1HD   ARG  86          1HD       ARG  86  -2.893  -5.986  12.727
  670   2HD   ARG  86          2HD       ARG  86  -2.438  -6.758  11.198
  671    HE   ARG  86           HE       ARG  86  -0.133  -5.905  12.775
  672   1HH1  ARG  86          1HH1      ARG  86  -2.473  -8.427  12.239
  673   2HH1  ARG  86          2HH1      ARG  86  -1.451  -9.664  12.883
  674   1HH2  ARG  86          1HH2      ARG  86   1.176  -7.530  13.608
  675   2HH2  ARG  86          2HH2      ARG  86   0.599  -9.163  13.652
  676    H    MET  87           H        MET  87  -3.980  -3.636   8.757
  677    HA   MET  87           HA       MET  87  -6.840  -3.292   9.589
  678   1HB   MET  87          1HB       MET  87  -5.286  -2.370   7.234
  679   2HB   MET  87          2HB       MET  87  -6.872  -3.048   6.866
  680   1HG   MET  87          1HG       MET  87  -7.737  -1.527   8.777
  681   2HG   MET  87          2HG       MET  87  -6.200  -0.679   8.610
  682   1HE   MET  87          1HE       MET  87  -8.324  -2.160   5.232
  683   2HE   MET  87          2HE       MET  87  -9.677  -1.216   5.854
  684   3HE   MET  87          3HE       MET  87  -8.876  -2.398   6.890
  685    H    ARG  88           H        ARG  88  -8.209  -5.009   9.012
  686    HA   ARG  88           HA       ARG  88  -6.907  -7.332   7.624
  687   1HB   ARG  88          1HB       ARG  88  -8.908  -7.297   9.918
  688   2HB   ARG  88          2HB       ARG  88  -8.200  -8.743   9.198
  689   1HG   ARG  88          1HG       ARG  88  -6.086  -8.314  10.096
  690   2HG   ARG  88          2HG       ARG  88  -6.399  -6.587  10.268
  691   1HD   ARG  88          1HD       ARG  88  -6.936  -6.990  12.437
  692   2HD   ARG  88          2HD       ARG  88  -8.351  -7.890  11.856
  693    HE   ARG  88           HE       ARG  88  -5.859  -9.417  11.708
  694   1HH1  ARG  88          1HH1      ARG  88  -8.556  -8.488  13.703
  695   2HH1  ARG  88          2HH1      ARG  88  -8.419  -9.876  14.725
  696   1HH2  ARG  88          1HH2      ARG  88  -5.702 -11.211  13.049
  697   2HH2  ARG  88          2HH2      ARG  88  -6.817 -11.407  14.360
  698    H    ILE  89           H        ILE  89  -8.517  -8.779   6.554
  699    HA   ILE  89           HA       ILE  89 -10.984  -7.295   5.701
  700    HB   ILE  89           HB       ILE  89  -9.112  -9.117   4.138
  701   1HG1  ILE  89          1HG1      ILE  89  -9.687  -6.151   3.862
  702   2HG1  ILE  89          2HG1      ILE  89  -8.240  -6.830   4.608
  703   1HG2  ILE  89          1HG2      ILE  89 -10.513  -8.531   2.197
  704   2HG2  ILE  89          2HG2      ILE  89 -11.581  -7.597   3.244
  705   3HG2  ILE  89          3HG2      ILE  89 -11.470  -9.347   3.432
  706   1HD1  ILE  89          1HD1      ILE  89  -8.455  -6.194   1.948
  707   2HD1  ILE  89          2HD1      ILE  89  -8.854  -7.912   1.932
  708   3HD1  ILE  89          3HD1      ILE  89  -7.315  -7.371   2.601
  709    H    PHE  90           H        PHE  90 -12.469  -8.408   7.017
  710    HA   PHE  90           HA       PHE  90 -12.338 -11.375   7.134
  711   1HB   PHE  90          1HB       PHE  90 -13.453  -9.112   8.689
  712   2HB   PHE  90          2HB       PHE  90 -14.483 -10.542   8.650
  713    HD1  PHE  90           HD1      PHE  90 -11.919  -8.993  10.427
  714    HD2  PHE  90           HD2      PHE  90 -13.067 -12.847   8.916
  715    HE1  PHE  90           HE1      PHE  90 -10.471 -10.086  12.117
  716    HE2  PHE  90           HE2      PHE  90 -11.618 -13.941  10.607
  717    HZ   PHE  90           HZ       PHE  90 -10.320 -12.559  12.207
  718    H    THR  91           H        THR  91 -14.852 -12.210   7.297
  719    HA   THR  91           HA       THR  91 -16.260 -11.186   4.852
  720    HB   THR  91           HB       THR  91 -16.865 -13.693   4.617
  721    HG1  THR  91           HG1      THR  91 -15.552 -15.091   5.723
  722   1HG2  THR  91          1HG2      THR  91 -15.269 -12.642   3.116
  723   2HG2  THR  91          2HG2      THR  91 -14.625 -14.210   3.603
  724   3HG2  THR  91          3HG2      THR  91 -14.001 -12.733   4.339
  725    H    ILE  92           H        ILE  92 -17.902 -10.061   5.970
  726    HA   ILE  92           HA       ILE  92 -19.198 -10.819   8.359
  727    HB   ILE  92           HB       ILE  92 -20.989  -9.307   7.490
  728   1HG1  ILE  92          1HG1      ILE  92 -19.380  -9.314   4.922
  729   2HG1  ILE  92          2HG1      ILE  92 -20.867 -10.236   5.142
  730   1HG2  ILE  92          1HG2      ILE  92 -19.486  -7.787   8.224
  731   2HG2  ILE  92          2HG2      ILE  92 -19.001  -7.600   6.539
  732   3HG2  ILE  92          3HG2      ILE  92 -18.130  -8.718   7.589
  733   1HD1  ILE  92          1HD1      ILE  92 -20.943  -7.344   5.867
  734   2HD1  ILE  92          2HD1      ILE  92 -22.195  -8.354   5.143
  735   3HD1  ILE  92          3HD1      ILE  92 -20.873  -7.740   4.150
  736    H    LYS  93           H        LYS  93 -19.600 -12.068   5.107
  737    HA   LYS  93           HA       LYS  93 -21.569 -14.040   6.165
  738   1HB   LYS  93          1HB       LYS  93 -22.980 -13.584   4.140
  739   2HB   LYS  93          2HB       LYS  93 -22.848 -12.181   5.200
  740   1HG   LYS  93          1HG       LYS  93 -21.856 -10.968   3.578
  741   2HG   LYS  93          2HG       LYS  93 -20.663 -12.235   3.292
  742   1HD   LYS  93          1HD       LYS  93 -21.691 -12.556   1.302
  743   2HD   LYS  93          2HD       LYS  93 -23.002 -13.294   2.221
  744   1HE   LYS  93          1HE       LYS  93 -23.646 -10.669   2.521
  745   2HE   LYS  93          2HE       LYS  93 -22.880 -10.626   0.922
  746   1HZ   LYS  93          1HZ       LYS  93 -24.933 -12.613   1.755
  747   2HZ   LYS  93          2HZ       LYS  93 -24.270 -12.429   0.203
  748   3HZ   LYS  93          3HZ       LYS  93 -25.275 -11.220   0.846
  749    HA   PRO  94           HA       PRO  94 -19.101 -16.909   3.918
  750   1HB   PRO  94          1HB       PRO  94 -21.649 -18.263   3.177
  751   2HB   PRO  94          2HB       PRO  94 -20.244 -18.912   4.041
  752   1HG   PRO  94          1HG       PRO  94 -22.555 -18.331   5.281
  753   2HG   PRO  94          2HG       PRO  94 -20.982 -18.156   6.071
  754   1HD   PRO  94          1HD       PRO  94 -22.808 -16.068   5.009
  755   2HD   PRO  94          2HD       PRO  94 -21.679 -15.999   6.378
  756    H    ILE  95           H        ILE  95 -18.302 -16.577   1.880
  757    HA   ILE  95           HA       ILE  95 -20.105 -15.456  -0.206
  758    HB   ILE  95           HB       ILE  95 -17.092 -15.788   0.044
  759   1HG1  ILE  95          1HG1      ILE  95 -18.790 -13.281   0.150
  760   2HG1  ILE  95          2HG1      ILE  95 -18.255 -14.153   1.587
  761   1HG2  ILE  95          1HG2      ILE  95 -17.706 -13.822  -1.863
  762   2HG2  ILE  95          2HG2      ILE  95 -18.783 -15.168  -2.235
  763   3HG2  ILE  95          3HG2      ILE  95 -17.039 -15.423  -2.182
  764   1HD1  ILE  95          1HD1      ILE  95 -15.927 -13.889   0.094
  765   2HD1  ILE  95          2HD1      ILE  95 -16.380 -12.890   1.475
  766   3HD1  ILE  95          3HD1      ILE  95 -16.751 -12.351  -0.162
  767    H    ALA  96           H        ALA  96 -20.438 -16.520  -2.186
  768    HA   ALA  96           HA       ALA  96 -19.883 -19.422  -2.202
  769   1HB   ALA  96          1HB       ALA  96 -21.270 -17.792  -4.337
  770   2HB   ALA  96          2HB       ALA  96 -22.069 -18.123  -2.800
  771   3HB   ALA  96          3HB       ALA  96 -21.589 -19.456  -3.850
  772    H    ILE  97           H        ILE  97 -18.856 -20.453  -4.062
  773    HA   ILE  97           HA       ILE  97 -16.466 -19.142  -4.977
  774    HB   ILE  97           HB       ILE  97 -17.976 -21.618  -5.891
  775   1HG1  ILE  97          1HG1      ILE  97 -15.482 -21.479  -4.200
  776   2HG1  ILE  97          2HG1      ILE  97 -17.087 -21.392  -3.475
  777   1HG2  ILE  97          1HG2      ILE  97 -15.145 -21.753  -6.333
  778   2HG2  ILE  97          2HG2      ILE  97 -15.764 -20.290  -7.101
  779   3HG2  ILE  97          3HG2      ILE  97 -16.443 -21.863  -7.522
  780   1HD1  ILE  97          1HD1      ILE  97 -17.661 -23.539  -4.641
  781   2HD1  ILE  97          2HD1      ILE  97 -16.359 -23.712  -3.464
  782   3HD1  ILE  97          3HD1      ILE  97 -15.988 -23.642  -5.187
  783    H    GLY  98           H        GLY  98 -16.522 -17.468  -6.429
  784   1HA   GLY  98          1HA       GLY  98 -16.768 -16.936  -8.845
  785   2HA   GLY  98          2HA       GLY  98 -18.330 -17.754  -8.794
  786    H    GLU  99           H        GLU  99 -17.223 -15.618  -6.230
  787    HA   GLU  99           HA       GLU  99 -19.380 -13.688  -7.026
  788   1HB   GLU  99          1HB       GLU  99 -18.231 -14.496  -4.329
  789   2HB   GLU  99          2HB       GLU  99 -19.460 -13.251  -4.550
  790   1HG   GLU  99          1HG       GLU  99 -19.845 -16.045  -5.625
  791   2HG   GLU  99          2HG       GLU  99 -20.274 -15.635  -3.965
  792    H    GLU 100           H        GLU 100 -18.751 -11.540  -5.493
  793    HA   GLU 100           HA       GLU 100 -15.918 -10.865  -6.207
  794   1HB   GLU 100          1HB       GLU 100 -17.646  -9.943  -7.780
  795   2HB   GLU 100          2HB       GLU 100 -18.399  -9.114  -6.417
  796   1HG   GLU 100          1HG       GLU 100 -16.033  -8.103  -6.017
  797   2HG   GLU 100          2HG       GLU 100 -15.704  -8.610  -7.673
  798    H    ILE 101           H        ILE 101 -14.782  -9.933  -4.538
  799    HA   ILE 101           HA       ILE 101 -16.187  -9.503  -1.974
  800    HB   ILE 101           HB       ILE 101 -13.247  -9.245  -2.699
  801   1HG1  ILE 101          1HG1      ILE 101 -14.827 -11.657  -1.755
  802   2HG1  ILE 101          2HG1      ILE 101 -14.056 -11.469  -3.327
  803   1HG2  ILE 101          1HG2      ILE 101 -14.244 -10.121  -0.026
  804   2HG2  ILE 101          2HG2      ILE 101 -14.424  -8.415  -0.434
  805   3HG2  ILE 101          3HG2      ILE 101 -12.824  -9.157  -0.433
  806   1HD1  ILE 101          1HD1      ILE 101 -12.450 -12.706  -2.160
  807   2HD1  ILE 101          2HD1      ILE 101 -12.780 -11.882  -0.636
  808   3HD1  ILE 101          3HD1      ILE 101 -11.883 -11.055  -1.909
  809    H    THR 102           H        THR 102 -16.696  -7.529  -1.203
  810    HA   THR 102           HA       THR 102 -15.286  -5.084  -2.046
  811    HB   THR 102           HB       THR 102 -17.724  -4.236  -2.715
  812    HG1  THR 102           HG1      THR 102 -18.776  -6.147  -2.203
  813   1HG2  THR 102          1HG2      THR 102 -16.660  -6.015  -4.824
  814   2HG2  THR 102          2HG2      THR 102 -15.476  -4.920  -4.109
  815   3HG2  THR 102          3HG2      THR 102 -16.938  -4.273  -4.854
  816    H    ILE 103           H        ILE 103 -16.192  -3.170  -0.806
  817    HA   ILE 103           HA       ILE 103 -17.732  -4.013   1.627
  818    HB   ILE 103           HB       ILE 103 -16.142  -2.587   2.923
  819   1HG1  ILE 103          1HG1      ILE 103 -14.327  -2.493   0.542
  820   2HG1  ILE 103          2HG1      ILE 103 -15.606  -1.288   0.672
  821   1HG2  ILE 103          1HG2      ILE 103 -15.025  -4.516   3.215
  822   2HG2  ILE 103          2HG2      ILE 103 -14.085  -4.176   1.763
  823   3HG2  ILE 103          3HG2      ILE 103 -15.586  -5.094   1.647
  824   1HD1  ILE 103          1HD1      ILE 103 -14.711  -1.063   3.149
  825   2HD1  ILE 103          2HD1      ILE 103 -13.889  -0.228   1.831
  826   3HD1  ILE 103          3HD1      ILE 103 -13.239  -1.744   2.457
  827    H    SER 104           H        SER 104 -18.767  -2.140   2.733
  828    HA   SER 104           HA       SER 104 -19.748  -0.157   0.764
  829   1HB   SER 104          1HB       SER 104 -20.563  -0.411   3.659
  830   2HB   SER 104          2HB       SER 104 -21.550   0.063   2.277
  831    HG   SER 104           HG       SER 104 -22.060  -1.942   2.072
  832    H    TYR 105           H        TYR 105 -20.090   2.148   1.800
  833    HA   TYR 105           HA       TYR 105 -17.617   2.890   3.331
  834   1HB   TYR 105          1HB       TYR 105 -18.989   4.437   1.100
  835   2HB   TYR 105          2HB       TYR 105 -17.465   4.855   1.879
  836    HD1  TYR 105           HD1      TYR 105 -16.214   2.131   2.074
  837    HD2  TYR 105           HD2      TYR 105 -18.344   4.030  -1.137
  838    HE1  TYR 105           HE1      TYR 105 -15.002   0.719   0.434
  839    HE2  TYR 105           HE2      TYR 105 -17.133   2.618  -2.776
  840    HH   TYR 105           HH       TYR 105 -14.375   0.923  -2.058
  841    H    GLY 106           H        GLY 106 -20.533   4.671   2.213
  842   1HA   GLY 106          1HA       GLY 106 -22.130   5.866   3.447
  843   2HA   GLY 106          2HA       GLY 106 -21.698   4.868   4.835
  844    H    ASP 107           H        ASP 107 -21.958   6.973   6.013
  845    HA   ASP 107           HA       ASP 107 -21.014   8.821   7.126
  846   1HB   ASP 107          1HB       ASP 107 -18.842   6.958   6.359
  847   2HB   ASP 107          2HB       ASP 107 -18.306   8.591   6.755
  848    H    ASP 108           H        ASP 108 -18.408   8.711   4.729
  849    HA   ASP 108           HA       ASP 108 -19.238  11.426   3.818
  850   1HB   ASP 108          1HB       ASP 108 -16.821  10.186   4.567
  851   2HB   ASP 108          2HB       ASP 108 -16.706  10.386   2.818
  852    H    TYR 109           H        TYR 109 -18.291   8.229   2.540
  853    HA   TYR 109           HA       TYR 109 -18.546   8.839  -0.233
  854   1HB   TYR 109          1HB       TYR 109 -18.628   6.413   1.532
  855   2HB   TYR 109          2HB       TYR 109 -19.071   6.227  -0.165
  856    HD1  TYR 109           HD1      TYR 109 -16.357   6.832   2.197
  857    HD2  TYR 109           HD2      TYR 109 -17.444   6.846  -1.959
  858    HE1  TYR 109           HE1      TYR 109 -13.958   6.852   1.569
  859    HE2  TYR 109           HE2      TYR 109 -15.045   6.866  -2.586
  860    HH   TYR 109           HH       TYR 109 -12.585   6.127  -0.469
  861    H    TRP 110           H        TRP 110 -20.324   8.786  -1.614
  862    HA   TRP 110           HA       TRP 110 -22.999   8.414  -0.319
  863   1HB   TRP 110          1HB       TRP 110 -23.605  10.004  -2.389
  864   2HB   TRP 110          2HB       TRP 110 -23.027  10.666  -0.867
  865    HD1  TRP 110           HD1      TRP 110 -21.215  12.390  -1.162
  866    HE1  TRP 110           HE1      TRP 110 -19.321  12.832  -2.852
  867    HE3  TRP 110           HE3      TRP 110 -21.882   8.420  -4.311
  868    HZ2  TRP 110           HZ2      TRP 110 -18.232  11.658  -5.222
  869    HZ3  TRP 110           HZ3      TRP 110 -20.412   8.105  -6.254
  870    HH2  TRP 110           HH2      TRP 110 -18.585   9.716  -6.728
  871    H    LEU 111           H        LEU 111 -21.517   6.261  -1.546
  872    HA   LEU 111           HA       LEU 111 -22.099   5.695  -4.226
  873   1HB   LEU 111          1HB       LEU 111 -20.771   4.399  -2.444
  874   2HB   LEU 111          2HB       LEU 111 -22.314   3.726  -1.924
  875    HG   LEU 111           HG       LEU 111 -21.031   2.279  -3.551
  876   1HD1  LEU 111          1HD1      LEU 111 -23.459   2.922  -5.073
  877   2HD1  LEU 111          2HD1      LEU 111 -23.736   2.747  -3.341
  878   3HD1  LEU 111          3HD1      LEU 111 -23.007   1.429  -4.254
  879   1HD2  LEU 111          1HD2      LEU 111 -20.545   2.949  -5.694
  880   2HD2  LEU 111          2HD2      LEU 111 -20.477   4.526  -4.906
  881   3HD2  LEU 111          3HD2      LEU 111 -21.930   4.039  -5.779
  882    H    SER 112           H        SER 112 -23.890   4.823  -5.305
  883    HA   SER 112           HA       SER 112 -26.152   4.360  -5.742
  884   1HB   SER 112          1HB       SER 112 -25.542   3.332  -3.038
  885   2HB   SER 112          2HB       SER 112 -27.255   3.614  -3.332
  886    HG   SER 112           HG       SER 112 -27.244   1.883  -4.482
  887    H    ARG 113           H        ARG 113 -27.743   5.828  -6.047
  888    HA   ARG 113           HA       ARG 113 -27.881   8.230  -4.456
  889   1HB   ARG 113          1HB       ARG 113 -28.838   7.169  -6.970
  890   2HB   ARG 113          2HB       ARG 113 -30.095   8.093  -6.146
  891   1HG   ARG 113          1HG       ARG 113 -28.487   9.978  -5.878
  892   2HG   ARG 113          2HG       ARG 113 -27.290   9.057  -6.788
  893   1HD   ARG 113          1HD       ARG 113 -30.025   9.556  -7.963
  894   2HD   ARG 113          2HD       ARG 113 -28.749  10.780  -8.098
  895    HE   ARG 113           HE       ARG 113 -28.780   8.176  -9.436
  896   1HH1  ARG 113          1HH1      ARG 113 -26.802  10.738  -8.152
  897   2HH1  ARG 113          2HH1      ARG 113 -25.457  10.359  -9.171
  898   1HH2  ARG 113          1HH2      ARG 113 -27.021   7.705 -10.748
  899   2HH2  ARG 113          2HH2      ARG 113 -25.578   8.656 -10.630
  900    HA   PRO 114           HA       PRO 114 -32.096   6.504  -3.138
  901   1HB   PRO 114          1HB       PRO 114 -32.727   3.924  -3.824
  902   2HB   PRO 114          2HB       PRO 114 -33.065   5.307  -4.881
  903   1HG   PRO 114          1HG       PRO 114 -30.893   3.287  -5.030
  904   2HG   PRO 114          2HG       PRO 114 -31.756   4.118  -6.333
  905   1HD   PRO 114          1HD       PRO 114 -29.218   4.771  -5.414
  906   2HD   PRO 114          2HD       PRO 114 -30.264   5.852  -6.335
  907    H    ARG 115           H        ARG 115 -29.201   4.669  -2.922
  908    HA   ARG 115           HA       ARG 115 -28.270   3.451  -1.133
  909   1HB   ARG 115          1HB       ARG 115 -30.410   4.976   0.371
  910   2HB   ARG 115          2HB       ARG 115 -28.929   4.318   1.043
  911   1HG   ARG 115          1HG       ARG 115 -29.188   6.563  -0.965
  912   2HG   ARG 115          2HG       ARG 115 -28.536   6.643   0.662
  913   1HD   ARG 115          1HD       ARG 115 -27.305   5.119  -1.647
  914   2HD   ARG 115          2HD       ARG 115 -26.677   6.615  -0.925
  915    HE   ARG 115           HE       ARG 115 -26.495   3.942   0.248
  916   1HH1  ARG 115          1HH1      ARG 115 -26.665   7.360   0.886
  917   2HH1  ARG 115          2HH1      ARG 115 -25.890   7.223   2.426
  918   1HH2  ARG 115          1HH2      ARG 115 -25.492   3.789   2.251
  919   2HH2  ARG 115          2HH2      ARG 115 -25.230   5.217   3.196
  920    H    LEU 116           H        LEU 116 -29.722   2.552   1.237
  921    HA   LEU 116           HA       LEU 116 -31.543   0.521  -0.014
  922   1HB   LEU 116          1HB       LEU 116 -29.291   0.394   1.968
  923   2HB   LEU 116          2HB       LEU 116 -30.599  -0.780   2.116
  924    HG   LEU 116           HG       LEU 116 -28.980  -0.268  -0.400
  925   1HD1  LEU 116          1HD1      LEU 116 -27.473  -1.643   0.565
  926   2HD1  LEU 116          2HD1      LEU 116 -28.684  -2.920   0.453
  927   3HD1  LEU 116          3HD1      LEU 116 -28.547  -1.962   1.927
  928   1HD2  LEU 116          1HD2      LEU 116 -30.205  -2.602  -0.848
  929   2HD2  LEU 116          2HD2      LEU 116 -30.976  -1.066  -1.244
  930   3HD2  LEU 116          3HD2      LEU 116 -31.394  -1.903   0.251
  931    H    THR 117           H        THR 117 -32.856   2.725   0.791
  932    HA   THR 117           HA       THR 117 -33.975   1.977   3.472
  933    HB   THR 117           HB       THR 117 -33.688   4.751   2.261
  934    HG1  THR 117           HG1      THR 117 -31.772   4.798   3.096
  935   1HG2  THR 117          1HG2      THR 117 -35.055   5.348   3.947
  936   2HG2  THR 117          2HG2      THR 117 -33.848   4.762   5.093
  937   3HG2  THR 117          3HG2      THR 117 -35.119   3.682   4.520
  938    H    GLN 118           H        GLN 118 -36.051   1.284   3.185
  939    HA   GLN 118           HA       GLN 118 -38.225   1.082   2.284
  940   1HB   GLN 118          1HB       GLN 118 -37.452   3.859   2.573
  941   2HB   GLN 118          2HB       GLN 118 -38.548   3.687   1.202
  942   1HG   GLN 118          1HG       GLN 118 -39.883   2.145   2.912
  943   2HG   GLN 118          2HG       GLN 118 -39.033   3.130   4.103
  944   1HE2  GLN 118          1HE2      GLN 118 -41.929   3.019   2.567
  945   2HE2  GLN 118          2HE2      GLN 118 -42.276   4.677   2.449
  946    H    ASN 119           H        ASN 119 -39.473   1.941   0.072
  947    HA   ASN 119           HA       ASN 119 -37.585   1.532  -2.216
  948   1HB   ASN 119          1HB       ASN 119 -39.977  -0.034  -1.307
  949   2HB   ASN 119          2HB       ASN 119 -39.696   0.108  -3.042
  950   1HD2  ASN 119          1HD2      ASN 119 -39.416  -2.435  -2.234
  951   2HD2  ASN 119          2HD2      ASN 119 -37.790  -2.883  -2.040
  952   1H    GLY 201          1H        GLY 201 -29.008  32.814 -12.997
  953   2H    GLY 201          2H        GLY 201 -27.649  33.493 -12.238
  954   3H    GLY 201          3H        GLY 201 -29.160  33.530 -11.465
  955   1HA   GLY 201          1HA       GLY 201 -27.479  31.795 -10.687
  956   2HA   GLY 201          2HA       GLY 201 -29.138  31.274 -10.984
  957    H    LYS 202           H        LYS 202 -26.286  30.027 -11.318
  958    HA   LYS 202           HA       LYS 202 -26.970  28.335 -13.563
  959   1HB   LYS 202          1HB       LYS 202 -25.605  30.860 -14.013
  960   2HB   LYS 202          2HB       LYS 202 -24.582  29.514 -14.517
  961   1HG   LYS 202          1HG       LYS 202 -26.965  28.703 -15.530
  962   2HG   LYS 202          2HG       LYS 202 -27.165  30.452 -15.637
  963   1HD   LYS 202          1HD       LYS 202 -25.635  30.632 -17.301
  964   2HD   LYS 202          2HD       LYS 202 -24.514  29.529 -16.503
  965   1HE   LYS 202          1HE       LYS 202 -27.025  28.430 -17.754
  966   2HE   LYS 202          2HE       LYS 202 -25.614  28.782 -18.769
  967   1HZ   LYS 202          1HZ       LYS 202 -25.425  26.552 -17.911
  968   2HZ   LYS 202          2HZ       LYS 202 -25.674  27.091 -16.320
  969   3HZ   LYS 202          3HZ       LYS 202 -24.257  27.523 -17.150
  970    H    ALA 203           H        ALA 203 -23.837  29.657 -12.437
  971    HA   ALA 203           HA       ALA 203 -23.084  26.871 -11.615
  972   1HB   ALA 203          1HB       ALA 203 -20.734  27.859 -12.019
  973   2HB   ALA 203          2HB       ALA 203 -21.563  29.238 -12.742
  974   3HB   ALA 203          3HB       ALA 203 -21.743  27.632 -13.448
  975    HA   PRO 204           HA       PRO 204 -23.300  29.271  -7.702
  976   1HB   PRO 204          1HB       PRO 204 -23.550  26.966  -6.159
  977   2HB   PRO 204          2HB       PRO 204 -24.915  27.889  -6.811
  978   1HG   PRO 204          1HG       PRO 204 -23.666  25.384  -7.807
  979   2HG   PRO 204          2HG       PRO 204 -25.364  25.881  -7.817
  980   1HD   PRO 204          1HD       PRO 204 -23.788  25.946 -10.025
  981   2HD   PRO 204          2HD       PRO 204 -25.133  27.077  -9.764
  982    H    ARG 205           H        ARG 205 -21.522  29.682  -6.387
  983    HA   ARG 205           HA       ARG 205 -19.091  28.046  -6.873
  984   1HB   ARG 205          1HB       ARG 205 -19.079  30.515  -7.135
  985   2HB   ARG 205          2HB       ARG 205 -19.567  30.693  -5.450
  986   1HG   ARG 205          1HG       ARG 205 -17.497  29.511  -4.748
  987   2HG   ARG 205          2HG       ARG 205 -17.003  29.406  -6.438
  988   1HD   ARG 205          1HD       ARG 205 -17.121  31.928  -6.555
  989   2HD   ARG 205          2HD       ARG 205 -17.395  31.936  -4.802
  990    HE   ARG 205           HE       ARG 205 -15.167  30.267  -5.252
  991   1HH1  ARG 205          1HH1      ARG 205 -16.045  33.598  -5.750
  992   2HH1  ARG 205          2HH1      ARG 205 -14.420  34.165  -5.588
  993   1HH2  ARG 205          1HH2      ARG 205 -13.066  31.027  -5.046
  994   2HH2  ARG 205          2HH2      ARG 205 -12.743  32.722  -5.192
  995    H    LYS 206           H        LYS 206 -20.323  29.714  -3.949
  996    HA   LYS 206           HA       LYS 206 -20.311  29.014  -1.692
  997   1HB   LYS 206          1HB       LYS 206 -21.069  26.651  -3.391
  998   2HB   LYS 206          2HB       LYS 206 -20.862  26.413  -1.655
  999   1HG   LYS 206          1HG       LYS 206 -22.782  27.518  -1.170
 1000   2HG   LYS 206          2HG       LYS 206 -22.425  28.809  -2.317
 1001   1HD   LYS 206          1HD       LYS 206 -24.375  27.724  -3.165
 1002   2HD   LYS 206          2HD       LYS 206 -23.041  27.139  -4.160
 1003   1HE   LYS 206          1HE       LYS 206 -23.347  25.475  -1.796
 1004   2HE   LYS 206          2HE       LYS 206 -24.859  25.549  -2.720
 1005   1HZ   LYS 206          1HZ       LYS 206 -23.516  23.872  -3.713
 1006   2HZ   LYS 206          2HZ       LYS 206 -22.146  24.877  -3.732
 1007   3HZ   LYS 206          3HZ       LYS 206 -23.461  25.213  -4.752
 1008    H    GLN 207           H        GLN 207 -19.339  26.888  -0.352
 1009    HA   GLN 207           HA       GLN 207 -16.514  27.198  -0.375
 1010   1HB   GLN 207          1HB       GLN 207 -16.611  25.239   1.152
 1011   2HB   GLN 207          2HB       GLN 207 -17.899  26.387   1.516
 1012   1HG   GLN 207          1HG       GLN 207 -19.490  25.036   0.213
 1013   2HG   GLN 207          2HG       GLN 207 -18.204  23.902  -0.200
 1014   1HE2  GLN 207          1HE2      GLN 207 -19.173  25.478   2.908
 1015   2HE2  GLN 207          2HE2      GLN 207 -19.274  24.024   3.779
 1016    H    LEU 208           H        LEU 208 -15.342  24.718  -0.392
 1017    HA   LEU 208           HA       LEU 208 -15.983  23.455  -3.016
 1018   1HB   LEU 208          1HB       LEU 208 -13.702  25.183  -2.287
 1019   2HB   LEU 208          2HB       LEU 208 -13.228  23.666  -3.052
 1020    HG   LEU 208           HG       LEU 208 -15.522  25.030  -4.323
 1021   1HD1  LEU 208          1HD1      LEU 208 -14.542  26.998  -4.863
 1022   2HD1  LEU 208          2HD1      LEU 208 -12.997  26.220  -5.207
 1023   3HD1  LEU 208          3HD1      LEU 208 -13.411  26.664  -3.551
 1024   1HD2  LEU 208          1HD2      LEU 208 -14.453  24.252  -6.321
 1025   2HD2  LEU 208          2HD2      LEU 208 -14.255  22.968  -5.129
 1026   3HD2  LEU 208          3HD2      LEU 208 -12.909  24.047  -5.493
 1027    H    ALA 209           H        ALA 209 -16.624  21.654  -1.572
 1028    HA   ALA 209           HA       ALA 209 -16.198  19.633  -0.422
 1029   1HB   ALA 209          1HB       ALA 209 -14.494  18.424  -1.469
 1030   2HB   ALA 209          2HB       ALA 209 -13.391  19.800  -1.482
 1031   3HB   ALA 209          3HB       ALA 209 -14.723  19.727  -2.635
 1032    H    THR 210           H        THR 210 -16.216  20.486   1.743
 1033    HA   THR 210           HA       THR 210 -13.901  21.749   2.944
 1034    HB   THR 210           HB       THR 210 -16.253  20.310   4.224
 1035    HG1  THR 210           HG1      THR 210 -15.971  22.889   3.110
 1036   1HG2  THR 210          1HG2      THR 210 -15.809  22.324   5.867
 1037   2HG2  THR 210          2HG2      THR 210 -14.200  22.299   5.144
 1038   3HG2  THR 210          3HG2      THR 210 -14.816  20.870   5.975
 1039    H    LYS 211           H        LYS 211 -15.276  18.447   3.147
 1040    HA   LYS 211           HA       LYS 211 -12.603  17.521   4.150
 1041   1HB   LYS 211          1HB       LYS 211 -14.609  17.677   5.780
 1042   2HB   LYS 211          2HB       LYS 211 -15.290  16.325   4.874
 1043   1HG   LYS 211          1HG       LYS 211 -13.679  14.841   5.612
 1044   2HG   LYS 211          2HG       LYS 211 -12.455  16.098   5.793
 1045   1HD   LYS 211          1HD       LYS 211 -13.258  16.766   7.877
 1046   2HD   LYS 211          2HD       LYS 211 -14.880  16.151   7.562
 1047   1HE   LYS 211          1HE       LYS 211 -12.967  13.977   7.452
 1048   2HE   LYS 211          2HE       LYS 211 -12.835  14.838   8.998
 1049   1HZ   LYS 211          1HZ       LYS 211 -14.623  13.102   8.918
 1050   2HZ   LYS 211          2HZ       LYS 211 -15.424  14.055   7.763
 1051   3HZ   LYS 211          3HZ       LYS 211 -15.170  14.655   9.332
 1052    H    ALA 212           H        ALA 212 -11.722  15.958   2.856
 1053    HA   ALA 212           HA       ALA 212 -12.871  15.028   0.446
 1054   1HB   ALA 212          1HB       ALA 212 -10.836  13.974   0.286
 1055   2HB   ALA 212          2HB       ALA 212 -10.994  13.227   1.876
 1056   3HB   ALA 212          3HB       ALA 212 -10.460  14.902   1.738
 1057    H    ALA 213           H        ALA 213 -13.654  12.843  -0.083
 1058    HA   ALA 213           HA       ALA 213 -15.569  11.839   1.879
 1059   1HB   ALA 213          1HB       ALA 213 -15.751  12.016  -0.687
 1060   2HB   ALA 213          2HB       ALA 213 -16.299  10.500   0.029
 1061   3HB   ALA 213          3HB       ALA 213 -14.719  10.587  -0.748
 1062    H    ARG 214           H        ARG 214 -14.708  10.673   3.581
 1063    HA   ARG 214           HA       ARG 214 -12.571   8.667   2.979
 1064   1HB   ARG 214          1HB       ARG 214 -12.969  10.649   4.968
 1065   2HB   ARG 214          2HB       ARG 214 -13.167   9.098   5.783
 1066   1HG   ARG 214          1HG       ARG 214 -10.933   8.815   5.772
 1067   2HG   ARG 214          2HG       ARG 214 -10.940   8.869   4.010
 1068   1HD   ARG 214          1HD       ARG 214  -9.493  10.656   4.677
 1069   2HD   ARG 214          2HD       ARG 214 -11.031  11.449   4.284
 1070    HE   ARG 214           HE       ARG 214 -10.877  10.560   7.063
 1071   1HH1  ARG 214          1HH1      ARG 214 -10.106  13.102   4.813
 1072   2HH1  ARG 214          2HH1      ARG 214 -10.072  14.325   6.036
 1073   1HH2  ARG 214          1HH2      ARG 214 -10.827  12.165   8.633
 1074   2HH2  ARG 214          2HH2      ARG 214 -10.477  13.801   8.183
 1075   1HN   MLZ 215          1HN       MLZ 215 -12.778   6.576   4.205
 1076    HA   MLZ 215           HA       MLZ 215 -15.517   5.532   3.973
 1077   1HB   MLZ 215          1HB       MLZ 215 -12.727   4.511   4.398
 1078   2HB   MLZ 215          2HB       MLZ 215 -14.073   3.451   4.818
 1079   1HG   MLZ 215          1HG       MLZ 215 -14.379   4.803   2.219
 1080   2HG   MLZ 215          2HG       MLZ 215 -14.629   3.109   2.642
 1081   1HD   MLZ 215          1HD       MLZ 215 -11.988   4.481   2.072
 1082   2HD   MLZ 215          2HD       MLZ 215 -12.119   2.846   2.721
 1083   1HE   MLZ 215          1HE       MLZ 215 -13.687   3.509   0.251
 1084   2HE   MLZ 215          2HE       MLZ 215 -12.926   1.978   0.726
 1085    HZ   MLZ 215           HZ       MLZ 215 -10.821   2.767   0.188
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -12.880   3.687  -1.693
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -11.709   2.386  -1.874
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -11.193   4.062  -2.023
 1089    H    SER 216           H        SER 216 -16.855   5.021   5.690
 1090    HA   SER 216           HA       SER 216 -17.645   4.911   7.911
 1091   1HB   SER 216          1HB       SER 216 -15.300   6.749   8.483
 1092   2HB   SER 216          2HB       SER 216 -16.757   7.307   7.661
 1093    HG   SER 216           HG       SER 216 -16.554   7.422  10.105
 1094    H    ALA 217           H        ALA 217 -16.986   4.139  10.131
 1095    HA   ALA 217           HA       ALA 217 -14.619   2.317   9.920
 1096   1HB   ALA 217          1HB       ALA 217 -13.691   3.227  11.826
 1097   2HB   ALA 217          2HB       ALA 217 -15.264   3.568  12.547
 1098   3HB   ALA 217          3HB       ALA 217 -14.605   4.647  11.317
 1099    HA   PRO 218           HA       PRO 218 -17.348  -0.826  11.326
 1100   1HB   PRO 218          1HB       PRO 218 -15.197  -1.736  13.171
 1101   2HB   PRO 218          2HB       PRO 218 -16.001  -2.621  11.863
 1102   1HG   PRO 218          1HG       PRO 218 -13.481  -1.716  11.653
 1103   2HG   PRO 218          2HG       PRO 218 -14.575  -1.813  10.266
 1104   1HD   PRO 218          1HD       PRO 218 -13.679   0.565  11.809
 1105   2HD   PRO 218          2HD       PRO 218 -14.092   0.418  10.088
 1106    H    ALA 219           H        ALA 219 -15.489   0.976  13.751
 1107    HA   ALA 219           HA       ALA 219 -17.737   0.580  15.695
 1108   1HB   ALA 219          1HB       ALA 219 -15.748  -0.243  16.655
 1109   2HB   ALA 219          2HB       ALA 219 -15.795   1.410  17.267
 1110   3HB   ALA 219          3HB       ALA 219 -14.758   1.006  15.899
 1111    H    THR 220           H        THR 220 -19.028   2.354  14.923
 1112    HA   THR 220           HA       THR 220 -17.760   5.062  15.092
 1113    HB   THR 220           HB       THR 220 -19.812   5.675  13.729
 1114    HG1  THR 220           HG1      THR 220 -21.316   4.234  13.719
 1115   1HG2  THR 220          1HG2      THR 220 -18.054   5.387  12.281
 1116   2HG2  THR 220          2HG2      THR 220 -19.010   3.994  11.776
 1117   3HG2  THR 220          3HG2      THR 220 -17.670   3.782  12.903
 1118    H    GLY 221           H        GLY 221 -18.400   3.848  17.548
 1119   1HA   GLY 221          1HA       GLY 221 -19.499   5.417  19.276
 1120   2HA   GLY 221          2HA       GLY 221 -20.964   5.172  18.326
 1121   1H    MET   1          1H        MET   1   0.852 -11.189   7.932
 1122   2H    MET   1          2H        MET   1   1.412 -12.485   8.875
 1123   3H    MET   1          3H        MET   1   1.805 -12.403   7.225
 1124    HA   MET   1           HA       MET   1   2.991 -10.244   7.738
 1125   1HB   MET   1          1HB       MET   1   2.024 -11.275  10.381
 1126   2HB   MET   1          2HB       MET   1   3.581 -10.448  10.348
 1127   1HG   MET   1          1HG       MET   1   1.045  -9.298   9.151
 1128   2HG   MET   1          2HG       MET   1   1.604  -8.932  10.783
 1129   1HE   MET   1          1HE       MET   1   0.933  -7.434   8.096
 1130   2HE   MET   1          2HE       MET   1   2.102  -8.025   6.915
 1131   3HE   MET   1          3HE       MET   1   2.220  -6.373   7.522
 1132    H    PHE   2           H        PHE   2   3.076 -13.534   9.057
 1133    HA   PHE   2           HA       PHE   2   5.983 -13.662   8.324
 1134   1HB   PHE   2          1HB       PHE   2   6.073 -15.317  10.293
 1135   2HB   PHE   2          2HB       PHE   2   5.838 -13.624  10.717
 1136    HD1  PHE   2           HD1      PHE   2   4.335 -16.959  10.659
 1137    HD2  PHE   2           HD2      PHE   2   3.592 -12.788  11.369
 1138    HE1  PHE   2           HE1      PHE   2   2.216 -17.532  11.815
 1139    HE2  PHE   2           HE2      PHE   2   1.474 -13.360  12.523
 1140    HZ   PHE   2           HZ       PHE   2   0.786 -15.730  12.746
 1141    H    ASN   3           H        ASN   3   6.028 -14.927   6.506
 1142    HA   ASN   3           HA       ASN   3   4.336 -17.405   6.477
 1143   1HB   ASN   3          1HB       ASN   3   3.763 -15.722   4.773
 1144   2HB   ASN   3          2HB       ASN   3   5.444 -15.662   4.243
 1145   1HD2  ASN   3          1HD2      ASN   3   2.470 -17.118   3.569
 1146   2HD2  ASN   3          2HD2      ASN   3   3.033 -18.452   2.684
 1147    H    ASP   4           H        ASP   4   5.366 -19.344   5.729
 1148    HA   ASP   4           HA       ASP   4   7.962 -19.922   6.547
 1149   1HB   ASP   4          1HB       ASP   4   7.733 -21.867   5.021
 1150   2HB   ASP   4          2HB       ASP   4   6.214 -21.541   5.856
 1151    H    ARG   5           H        ARG   5   6.958 -18.367   3.551
 1152    HA   ARG   5           HA       ARG   5   9.514 -18.692   2.192
 1153   1HB   ARG   5          1HB       ARG   5   6.891 -17.339   1.818
 1154   2HB   ARG   5          2HB       ARG   5   8.251 -16.614   0.961
 1155   1HG   ARG   5          1HG       ARG   5   8.518 -19.402   0.610
 1156   2HG   ARG   5          2HG       ARG   5   6.811 -19.046   0.350
 1157   1HD   ARG   5          1HD       ARG   5   7.678 -17.077  -1.130
 1158   2HD   ARG   5          2HD       ARG   5   9.207 -17.976  -1.141
 1159    HE   ARG   5           HE       ARG   5   8.152 -19.630  -2.468
 1160   1HH1  ARG   5          1HH1      ARG   5   5.792 -17.600  -0.910
 1161   2HH1  ARG   5          2HH1      ARG   5   4.461 -18.317  -1.749
 1162   1HH2  ARG   5          1HH2      ARG   5   6.407 -20.545  -3.544
 1163   2HH2  ARG   5          2HH2      ARG   5   4.803 -19.972  -3.229
 1164    H    VAL   6           H        VAL   6   7.908 -15.971   3.880
 1165    HA   VAL   6           HA       VAL   6  10.562 -14.876   4.602
 1166    HB   VAL   6           HB       VAL   6   9.961 -12.687   3.539
 1167   1HG1  VAL   6          1HG1      VAL   6   9.769 -14.908   1.496
 1168   2HG1  VAL   6          2HG1      VAL   6  11.267 -14.551   2.356
 1169   3HG1  VAL   6          3HG1      VAL   6  10.534 -13.329   1.316
 1170   1HG2  VAL   6          1HG2      VAL   6   7.560 -14.306   2.678
 1171   2HG2  VAL   6          2HG2      VAL   6   8.075 -12.869   1.794
 1172   3HG2  VAL   6          3HG2      VAL   6   7.588 -12.737   3.484
 1173    H    ILE   7           H        ILE   7  10.373 -13.224   6.277
 1174    HA   ILE   7           HA       ILE   7   7.652 -13.055   7.529
 1175    HB   ILE   7           HB       ILE   7   9.140 -14.683   8.662
 1176   1HG1  ILE   7          1HG1      ILE   7   8.982 -12.164  10.332
 1177   2HG1  ILE   7          2HG1      ILE   7   7.562 -13.135   9.943
 1178   1HG2  ILE   7          1HG2      ILE   7  11.344 -14.288   8.905
 1179   2HG2  ILE   7          2HG2      ILE   7  11.024 -12.783   9.767
 1180   3HG2  ILE   7          3HG2      ILE   7  11.118 -12.788   8.007
 1181   1HD1  ILE   7          1HD1      ILE   7   9.840 -14.709  10.939
 1182   2HD1  ILE   7          2HD1      ILE   7   8.141 -14.772  11.407
 1183   3HD1  ILE   7          3HD1      ILE   7   9.205 -13.555  12.112
 1184    H    VAL   8           H        VAL   8   7.295 -11.089   8.766
 1185    HA   VAL   8           HA       VAL   8   8.909  -8.803   7.760
 1186    HB   VAL   8           HB       VAL   8   6.455  -8.828   7.485
 1187   1HG1  VAL   8          1HG1      VAL   8   5.112  -9.619   9.109
 1188   2HG1  VAL   8          2HG1      VAL   8   5.687  -8.381  10.225
 1189   3HG1  VAL   8          3HG1      VAL   8   6.538  -9.919  10.102
 1190   1HG2  VAL   8          1HG2      VAL   8   6.362  -6.595   7.841
 1191   2HG2  VAL   8          2HG2      VAL   8   7.984  -6.751   8.517
 1192   3HG2  VAL   8          3HG2      VAL   8   6.579  -6.789   9.581
 1193    H    LYS   9           H        LYS   9  10.218  -7.626   9.098
 1194    HA   LYS   9           HA       LYS   9   9.983  -8.037  12.054
 1195   1HB   LYS   9          1HB       LYS   9  12.503  -7.835  10.375
 1196   2HB   LYS   9          2HB       LYS   9  12.434  -8.128  12.111
 1197   1HG   LYS   9          1HG       LYS   9  10.743 -10.059  10.935
 1198   2HG   LYS   9          2HG       LYS   9  12.204 -10.026   9.950
 1199   1HD   LYS   9          1HD       LYS   9  13.581 -10.628  11.743
 1200   2HD   LYS   9          2HD       LYS   9  12.426 -10.058  12.946
 1201   1HE   LYS   9          1HE       LYS   9  11.016 -12.037  11.568
 1202   2HE   LYS   9          2HE       LYS   9  12.652 -12.704  11.733
 1203   1HZ   LYS   9          1HZ       LYS   9  11.293 -13.118  13.720
 1204   2HZ   LYS   9          2HZ       LYS   9  11.073 -11.446  13.922
 1205   3HZ   LYS   9          3HZ       LYS   9  12.623 -12.123  14.073
 1206    H    LYS  10           H        LYS  10  10.562  -4.498  12.469
 1207    HA   LYS  10           HA       LYS  10  10.186  -5.474  14.553
 1208   1HB   LYS  10          1HB       LYS  10   8.531  -6.852  12.526
 1209   2HB   LYS  10          2HB       LYS  10   8.701  -7.717  14.054
 1210   1HG   LYS  10          1HG       LYS  10   7.665  -6.029  15.276
 1211   2HG   LYS  10          2HG       LYS  10   8.095  -4.780  14.107
 1212   1HD   LYS  10          1HD       LYS  10   6.474  -5.708  12.503
 1213   2HD   LYS  10          2HD       LYS  10   6.058  -6.983  13.648
 1214   1HE   LYS  10          1HE       LYS  10   5.601  -4.921  15.269
 1215   2HE   LYS  10          2HE       LYS  10   5.374  -4.064  13.732
 1216   1HZ   LYS  10          1HZ       LYS  10   4.132  -6.694  14.344
 1217   2HZ   LYS  10          2HZ       LYS  10   3.789  -5.671  13.033
 1218   3HZ   LYS  10          3HZ       LYS  10   3.339  -5.215  14.606
 1219    H    SER  11           H        SER  11  12.685  -5.973  14.117
 1220    HA   SER  11           HA       SER  11  13.096  -8.933  14.373
 1221   1HB   SER  11          1HB       SER  11  15.057  -8.634  13.155
 1222   2HB   SER  11          2HB       SER  11  14.116  -7.294  12.504
 1223    HG   SER  11           HG       SER  11  15.085  -6.088  14.360
 1224    HA   PRO  12           HA       PRO  12  14.980  -8.538  18.325
 1225   1HB   PRO  12          1HB       PRO  12  17.738  -9.123  17.422
 1226   2HB   PRO  12          2HB       PRO  12  16.691 -10.064  18.498
 1227   1HG   PRO  12          1HG       PRO  12  17.286 -10.844  15.987
 1228   2HG   PRO  12          2HG       PRO  12  15.748 -11.227  16.774
 1229   1HD   PRO  12          1HD       PRO  12  16.351  -9.194  14.682
 1230   2HD   PRO  12          2HD       PRO  12  14.891 -10.176  14.922
 1231    H    LEU  13           H        LEU  13  17.674  -7.447  16.217
 1232    HA   LEU  13           HA       LEU  13  17.710  -4.887  17.784
 1233   1HB   LEU  13          1HB       LEU  13  19.661  -6.914  17.271
 1234   2HB   LEU  13          2HB       LEU  13  20.179  -5.456  16.425
 1235    HG   LEU  13           HG       LEU  13  19.192  -5.245  19.253
 1236   1HD1  LEU  13          1HD1      LEU  13  20.846  -6.602  19.978
 1237   2HD1  LEU  13          2HD1      LEU  13  21.977  -5.374  19.409
 1238   3HD1  LEU  13          3HD1      LEU  13  21.542  -6.725  18.362
 1239   1HD2  LEU  13          1HD2      LEU  13  20.012  -3.408  17.415
 1240   2HD2  LEU  13          2HD2      LEU  13  21.537  -3.750  18.234
 1241   3HD2  LEU  13          3HD2      LEU  13  20.149  -3.174  19.158
 1242    H    GLY  14           H        GLY  14  17.632  -6.355  14.611
 1243   1HA   GLY  14          1HA       GLY  14  18.495  -4.090  13.080
 1244   2HA   GLY  14          2HA       GLY  14  17.499  -5.409  12.467
 1245    H    GLY  15           H        GLY  15  16.870  -2.954  11.531
 1246   1HA   GLY  15          1HA       GLY  15  14.738  -1.805  13.231
 1247   2HA   GLY  15          2HA       GLY  15  15.316  -1.134  11.706
 1248    H    TYR  16           H        TYR  16  13.002  -0.993  11.103
 1249    HA   TYR  16           HA       TYR  16  11.403  -3.406  10.827
 1250   1HB   TYR  16          1HB       TYR  16  11.245  -0.507  10.323
 1251   2HB   TYR  16          2HB       TYR  16  10.348  -1.467   9.147
 1252    HD1  TYR  16           HD1      TYR  16  11.016  -1.713  12.840
 1253    HD2  TYR  16           HD2      TYR  16   8.099  -1.686   9.686
 1254    HE1  TYR  16           HE1      TYR  16   9.212  -2.070  14.504
 1255    HE2  TYR  16           HE2      TYR  16   6.296  -2.042  11.351
 1256    HH   TYR  16           HH       TYR  16   6.228  -1.427  14.144
 1257    H    GLY  17           H        GLY  17  12.985  -4.740   9.599
 1258   1HA   GLY  17          1HA       GLY  17  13.016  -4.023   6.692
 1259   2HA   GLY  17          2HA       GLY  17  14.366  -4.853   7.470
 1260    H    VAL  18           H        VAL  18  13.758  -6.472   5.636
 1261    HA   VAL  18           HA       VAL  18  11.481  -8.204   6.530
 1262    HB   VAL  18           HB       VAL  18  12.921  -7.819   3.885
 1263   1HG1  VAL  18          1HG1      VAL  18  12.271 -10.182   4.153
 1264   2HG1  VAL  18          2HG1      VAL  18  11.240  -9.393   2.960
 1265   3HG1  VAL  18          3HG1      VAL  18  10.635  -9.689   4.590
 1266   1HG2  VAL  18          1HG2      VAL  18  11.409  -6.024   4.277
 1267   2HG2  VAL  18          2HG2      VAL  18  10.194  -7.103   4.963
 1268   3HG2  VAL  18          3HG2      VAL  18  10.532  -7.145   3.233
 1269    H    PHE  19           H        PHE  19  11.865 -10.436   6.851
 1270    HA   PHE  19           HA       PHE  19  14.757 -11.214   6.995
 1271   1HB   PHE  19          1HB       PHE  19  12.392 -11.503   8.715
 1272   2HB   PHE  19          2HB       PHE  19  13.273 -13.015   8.500
 1273    HD1  PHE  19           HD1      PHE  19  14.709 -13.401  10.296
 1274    HD2  PHE  19           HD2      PHE  19  14.323  -9.416   8.739
 1275    HE1  PHE  19           HE1      PHE  19  16.451 -12.615  11.877
 1276    HE2  PHE  19           HE2      PHE  19  16.066  -8.631  10.320
 1277    HZ   PHE  19           HZ       PHE  19  17.129 -10.230  11.888
 1278    H    ALA  20           H        ALA  20  15.357 -12.678   5.456
 1279    HA   ALA  20           HA       ALA  20  13.273 -14.144   3.951
 1280   1HB   ALA  20          1HB       ALA  20  14.825 -14.007   2.281
 1281   2HB   ALA  20          2HB       ALA  20  16.123 -14.575   3.331
 1282   3HB   ALA  20          3HB       ALA  20  15.657 -12.874   3.346
 1283    H    ARG  21           H        ARG  21  12.644 -15.786   5.478
 1284    HA   ARG  21           HA       ARG  21  14.425 -17.476   6.938
 1285   1HB   ARG  21          1HB       ARG  21  11.692 -17.113   6.578
 1286   2HB   ARG  21          2HB       ARG  21  11.967 -18.721   5.906
 1287   1HG   ARG  21          1HG       ARG  21  11.867 -19.443   8.053
 1288   2HG   ARG  21          2HG       ARG  21  13.486 -18.764   8.214
 1289   1HD   ARG  21          1HD       ARG  21  12.744 -17.034   9.509
 1290   2HD   ARG  21          2HD       ARG  21  11.309 -16.781   8.496
 1291    HE   ARG  21           HE       ARG  21  11.469 -18.521  10.843
 1292   1HH1  ARG  21          1HH1      ARG  21   9.913 -17.943   7.783
 1293   2HH1  ARG  21          2HH1      ARG  21   8.481 -18.807   8.223
 1294   1HH2  ARG  21          1HH2      ARG  21   9.601 -19.637  11.391
 1295   2HH2  ARG  21          2HH2      ARG  21   8.303 -19.760  10.251
 1296    H    LYS  22           H        LYS  22  13.572 -17.361   3.568
 1297    HA   LYS  22           HA       LYS  22  14.554 -20.095   3.007
 1298   1HB   LYS  22          1HB       LYS  22  13.041 -17.905   1.705
 1299   2HB   LYS  22          2HB       LYS  22  14.064 -18.836   0.619
 1300   1HG   LYS  22          1HG       LYS  22  13.026 -20.924   1.414
 1301   2HG   LYS  22          2HG       LYS  22  12.008 -19.998   2.517
 1302   1HD   LYS  22          1HD       LYS  22  10.639 -20.364   0.615
 1303   2HD   LYS  22          2HD       LYS  22  11.224 -18.712   0.424
 1304   1HE   LYS  22          1HE       LYS  22  12.730 -19.311  -1.282
 1305   2HE   LYS  22          2HE       LYS  22  12.756 -21.014  -0.787
 1306   1HZ   LYS  22          1HZ       LYS  22  10.420 -19.548  -1.908
 1307   2HZ   LYS  22          2HZ       LYS  22  10.400 -21.162  -1.381
 1308   3HZ   LYS  22          3HZ       LYS  22  11.339 -20.719  -2.725
 1309    H    SER  23           H        SER  23  17.479 -18.977   1.029
 1310    HA   SER  23           HA       SER  23  15.077 -20.769   1.096
 1311   1HB   SER  23          1HB       SER  23  17.339 -21.646  -0.499
 1312   2HB   SER  23          2HB       SER  23  17.871 -21.176   1.116
 1313    HG   SER  23           HG       SER  23  16.438 -23.334   0.327
 1314    H    PHE  24           H        PHE  24  16.698 -18.360  -0.782
 1315    HA   PHE  24           HA       PHE  24  14.864 -18.959  -3.070
 1316   1HB   PHE  24          1HB       PHE  24  16.079 -16.486  -1.835
 1317   2HB   PHE  24          2HB       PHE  24  15.462 -16.438  -3.486
 1318    HD1  PHE  24           HD1      PHE  24  13.054 -17.053  -3.926
 1319    HD2  PHE  24           HD2      PHE  24  14.608 -16.493   0.039
 1320    HE1  PHE  24           HE1      PHE  24  10.745 -16.809  -3.056
 1321    HE2  PHE  24           HE2      PHE  24  12.299 -16.250   0.909
 1322    HZ   PHE  24           HZ       PHE  24  10.367 -16.408  -0.638
 1323    H    GLU  25           H        GLU  25  15.708 -18.909  -5.200
 1324    HA   GLU  25           HA       GLU  25  18.625 -19.384  -5.411
 1325   1HB   GLU  25          1HB       GLU  25  16.145 -20.081  -6.798
 1326   2HB   GLU  25          2HB       GLU  25  17.395 -19.557  -7.926
 1327   1HG   GLU  25          1HG       GLU  25  18.257 -21.638  -7.754
 1328   2HG   GLU  25          2HG       GLU  25  18.752 -21.197  -6.120
 1329    H    LYS  26           H        LYS  26  19.004 -18.469  -8.059
 1330    HA   LYS  26           HA       LYS  26  19.123 -15.539  -7.587
 1331   1HB   LYS  26          1HB       LYS  26  21.067 -17.072  -8.290
 1332   2HB   LYS  26          2HB       LYS  26  20.282 -17.169  -9.866
 1333   1HG   LYS  26          1HG       LYS  26  20.369 -14.707 -10.058
 1334   2HG   LYS  26          2HG       LYS  26  21.162 -14.614  -8.485
 1335   1HD   LYS  26          1HD       LYS  26  22.976 -16.115  -9.428
 1336   2HD   LYS  26          2HD       LYS  26  22.232 -15.898 -11.012
 1337   1HE   LYS  26          1HE       LYS  26  22.403 -13.300 -10.213
 1338   2HE   LYS  26          2HE       LYS  26  23.826 -13.980  -9.401
 1339   1HZ   LYS  26          1HZ       LYS  26  23.107 -14.294 -12.273
 1340   2HZ   LYS  26          2HZ       LYS  26  24.418 -15.062 -11.514
 1341   3HZ   LYS  26          3HZ       LYS  26  24.393 -13.370 -11.660
 1342    H    GLY  27           H        GLY  27  16.620 -15.629  -7.991
 1343   1HA   GLY  27          1HA       GLY  27  15.667 -14.240 -10.020
 1344   2HA   GLY  27          2HA       GLY  27  15.990 -15.736 -10.895
 1345    H    GLU  28           H        GLU  28  14.368 -14.671  -7.881
 1346    HA   GLU  28           HA       GLU  28  12.081 -16.455  -8.613
 1347   1HB   GLU  28          1HB       GLU  28  13.874 -16.449  -6.218
 1348   2HB   GLU  28          2HB       GLU  28  12.163 -16.778  -5.941
 1349   1HG   GLU  28          1HG       GLU  28  12.300 -18.518  -7.773
 1350   2HG   GLU  28          2HG       GLU  28  14.047 -18.279  -7.779
 1351    H    LEU  29           H        LEU  29  10.255 -15.214  -8.617
 1352    HA   LEU  29           HA       LEU  29  10.166 -12.521  -7.637
 1353   1HB   LEU  29          1HB       LEU  29   8.788 -13.794  -9.446
 1354   2HB   LEU  29          2HB       LEU  29   7.784 -14.332  -8.101
 1355    HG   LEU  29           HG       LEU  29   6.892 -12.276  -9.193
 1356   1HD1  LEU  29          1HD1      LEU  29   6.770 -12.844  -6.642
 1357   2HD1  LEU  29          2HD1      LEU  29   6.287 -11.237  -7.184
 1358   3HD1  LEU  29          3HD1      LEU  29   7.879 -11.484  -6.465
 1359   1HD2  LEU  29          1HD2      LEU  29   8.812 -10.437  -8.032
 1360   2HD2  LEU  29          2HD2      LEU  29   8.220 -10.526  -9.691
 1361   3HD2  LEU  29          3HD2      LEU  29   9.594 -11.511  -9.191
 1362    H    VAL  30           H        VAL  30  10.177 -11.995  -5.498
 1363    HA   VAL  30           HA       VAL  30   9.043 -13.873  -3.499
 1364    HB   VAL  30           HB       VAL  30  10.601 -11.266  -3.318
 1365   1HG1  VAL  30          1HG1      VAL  30   9.025 -12.502  -1.354
 1366   2HG1  VAL  30          2HG1      VAL  30  10.277 -11.289  -1.084
 1367   3HG1  VAL  30          3HG1      VAL  30  10.676 -13.004  -0.987
 1368   1HG2  VAL  30          1HG2      VAL  30  12.448 -12.802  -2.611
 1369   2HG2  VAL  30          2HG2      VAL  30  11.923 -13.078  -4.271
 1370   3HG2  VAL  30          3HG2      VAL  30  11.405 -14.173  -2.989
 1371    H    GLU  31           H        GLU  31   6.816 -13.349  -4.431
 1372    HA   GLU  31           HA       GLU  31   4.719 -12.305  -4.185
 1373   1HB   GLU  31          1HB       GLU  31   5.359 -12.591  -1.802
 1374   2HB   GLU  31          2HB       GLU  31   6.176 -11.031  -1.838
 1375   1HG   GLU  31          1HG       GLU  31   4.234  -9.877  -1.676
 1376   2HG   GLU  31          2HG       GLU  31   3.411 -10.930  -2.828
 1377    H    GLU  32           H        GLU  32   3.640 -10.291  -4.651
 1378    HA   GLU  32           HA       GLU  32   5.253  -7.850  -5.041
 1379   1HB   GLU  32          1HB       GLU  32   4.712  -7.845  -7.492
 1380   2HB   GLU  32          2HB       GLU  32   5.732  -9.208  -7.033
 1381   1HG   GLU  32          1HG       GLU  32   3.876 -10.721  -7.059
 1382   2HG   GLU  32          2HG       GLU  32   2.714  -9.398  -7.166
 1383    H    CYS  33           H        CYS  33   3.837  -6.010  -5.697
 1384    HA   CYS  33           HA       CYS  33   0.912  -6.496  -5.555
 1385   1HB   CYS  33          1HB       CYS  33   2.285  -6.086  -3.260
 1386   2HB   CYS  33          2HB       CYS  33   2.011  -4.408  -3.727
 1387    HG   CYS  33           HG       CYS  33  -0.616  -5.667  -4.018
 1388    H    LEU  34           H        LEU  34  -0.027  -3.966  -5.373
 1389    HA   LEU  34           HA       LEU  34   0.962  -2.716  -7.866
 1390   1HB   LEU  34          1HB       LEU  34  -1.358  -2.073  -6.005
 1391   2HB   LEU  34          2HB       LEU  34  -1.132  -1.420  -7.627
 1392    HG   LEU  34           HG       LEU  34  -1.360  -4.384  -7.034
 1393   1HD1  LEU  34          1HD1      LEU  34  -3.402  -2.306  -7.188
 1394   2HD1  LEU  34          2HD1      LEU  34  -3.562  -3.997  -6.713
 1395   3HD1  LEU  34          3HD1      LEU  34  -3.637  -3.549  -8.417
 1396   1HD2  LEU  34          1HD2      LEU  34  -1.088  -2.677  -9.475
 1397   2HD2  LEU  34          2HD2      LEU  34  -2.079  -4.131  -9.587
 1398   3HD2  LEU  34          3HD2      LEU  34  -0.381  -4.254  -9.127
 1399    H    CYS  35           H        CYS  35   0.499  -0.068  -7.520
 1400    HA   CYS  35           HA       CYS  35   1.908   0.833  -5.058
 1401   1HB   CYS  35          1HB       CYS  35   2.855   0.974  -7.918
 1402   2HB   CYS  35          2HB       CYS  35   3.352   2.221  -6.776
 1403    HG   CYS  35           HG       CYS  35   3.831  -0.643  -5.772
 1404    H    ILE  36           H        ILE  36   1.741   3.230  -4.819
 1405    HA   ILE  36           HA       ILE  36  -0.768   4.244  -6.073
 1406    HB   ILE  36           HB       ILE  36   0.924   5.469  -3.867
 1407   1HG1  ILE  36          1HG1      ILE  36  -1.390   3.520  -3.606
 1408   2HG1  ILE  36          2HG1      ILE  36   0.299   3.144  -3.262
 1409   1HG2  ILE  36          1HG2      ILE  36  -0.772   6.923  -4.920
 1410   2HG2  ILE  36          2HG2      ILE  36  -1.204   6.543  -3.253
 1411   3HG2  ILE  36          3HG2      ILE  36  -2.012   5.714  -4.583
 1412   1HD1  ILE  36          1HD1      ILE  36   0.276   4.265  -1.276
 1413   2HD1  ILE  36          2HD1      ILE  36  -1.469   4.035  -1.384
 1414   3HD1  ILE  36          3HD1      ILE  36  -0.746   5.557  -1.905
 1415    H    VAL  37           H        VAL  37  -0.182   5.067  -8.088
 1416    HA   VAL  37           HA       VAL  37   2.312   6.593  -8.407
 1417    HB   VAL  37           HB       VAL  37   0.018   6.056 -10.331
 1418   1HG1  VAL  37          1HG1      VAL  37   2.866   6.285 -11.174
 1419   2HG1  VAL  37          2HG1      VAL  37   2.058   7.776 -10.689
 1420   3HG1  VAL  37          3HG1      VAL  37   1.403   6.807 -12.009
 1421   1HG2  VAL  37          1HG2      VAL  37   2.565   4.456  -9.985
 1422   2HG2  VAL  37          2HG2      VAL  37   1.184   4.063 -11.011
 1423   3HG2  VAL  37          3HG2      VAL  37   1.029   3.990  -9.256
 1424    H    ARG  38           H        ARG  38   2.443   8.787  -8.278
 1425    HA   ARG  38           HA       ARG  38   0.023  10.440  -8.790
 1426   1HB   ARG  38          1HB       ARG  38   1.620  10.189  -6.244
 1427   2HB   ARG  38          2HB       ARG  38   0.762  11.685  -6.607
 1428   1HG   ARG  38          1HG       ARG  38  -0.484   8.921  -6.475
 1429   2HG   ARG  38          2HG       ARG  38  -0.639  10.175  -5.245
 1430   1HD   ARG  38          1HD       ARG  38  -1.421  11.557  -7.472
 1431   2HD   ARG  38          2HD       ARG  38  -2.009   9.929  -7.858
 1432    HE   ARG  38           HE       ARG  38  -2.546  10.730  -5.097
 1433   1HH1  ARG  38          1HH1      ARG  38  -3.671  10.814  -8.390
 1434   2HH1  ARG  38          2HH1      ARG  38  -5.326  11.023  -7.935
 1435   1HH2  ARG  38          1HH2      ARG  38  -4.701  11.002  -4.531
 1436   2HH2  ARG  38          2HH2      ARG  38  -5.907  11.129  -5.768
 1437    H    HIS  39           H        HIS  39   0.573  12.623  -9.396
 1438    HA   HIS  39           HA       HIS  39   3.047  12.965 -10.789
 1439   1HB   HIS  39          1HB       HIS  39   0.713  14.635  -9.924
 1440   2HB   HIS  39          2HB       HIS  39   2.142  15.474 -10.527
 1441    HD1  HIS  39           HD1      HIS  39   0.372  16.072 -12.552
 1442    HD2  HIS  39           HD2      HIS  39   1.726  12.135 -12.340
 1443    HE1  HIS  39           HE1      HIS  39  -0.106  15.028 -14.810
 1444    H    ASN  40           H        ASN  40   4.350  15.155 -10.217
 1445    HA   ASN  40           HA       ASN  40   5.509  14.678  -7.542
 1446   1HB   ASN  40          1HB       ASN  40   6.859  14.933  -9.631
 1447   2HB   ASN  40          2HB       ASN  40   6.256  16.584  -9.791
 1448   1HD2  ASN  40          1HD2      ASN  40   8.756  16.978  -9.599
 1449   2HD2  ASN  40          2HD2      ASN  40   9.369  17.180  -8.029
 1450    H    ASP  41           H        ASP  41   4.524  15.730  -5.867
 1451    HA   ASP  41           HA       ASP  41   4.403  18.607  -5.737
 1452   1HB   ASP  41          1HB       ASP  41   2.472  17.684  -7.329
 1453   2HB   ASP  41          2HB       ASP  41   1.667  17.358  -5.794
 1454    H    ASP  42           H        ASP  42   1.882  18.372  -3.981
 1455    HA   ASP  42           HA       ASP  42   3.040  18.014  -1.450
 1456   1HB   ASP  42          1HB       ASP  42   0.226  17.458  -2.464
 1457   2HB   ASP  42          2HB       ASP  42   0.645  17.614  -0.758
 1458    H    TRP  43           H        TRP  43   1.984  15.619  -3.760
 1459    HA   TRP  43           HA       TRP  43   1.655  13.322  -2.143
 1460   1HB   TRP  43          1HB       TRP  43   1.106  13.353  -4.491
 1461   2HB   TRP  43          2HB       TRP  43   2.740  13.838  -4.933
 1462    HD1  TRP  43           HD1      TRP  43   4.117  11.946  -5.872
 1463    HE1  TRP  43           HE1      TRP  43   4.205   9.387  -5.579
 1464    HE3  TRP  43           HE3      TRP  43   0.440  11.332  -2.382
 1465    HZ2  TRP  43           HZ2      TRP  43   2.888   7.351  -4.068
 1466    HZ3  TRP  43           HZ3      TRP  43  -0.120   9.072  -1.532
 1467    HH2  TRP  43           HH2      TRP  43   1.099   7.082  -2.369
 1468    H    GLY  44           H        GLY  44   4.632  14.140  -3.975
 1469   1HA   GLY  44          1HA       GLY  44   6.312  12.296  -2.633
 1470   2HA   GLY  44          2HA       GLY  44   6.886  13.743  -3.462
 1471    H    THR  45           H        THR  45   5.219  15.495  -1.699
 1472    HA   THR  45           HA       THR  45   7.186  15.957   0.364
 1473    HB   THR  45           HB       THR  45   4.337  16.968   0.023
 1474    HG1  THR  45           HG1      THR  45   5.200  17.798  -1.695
 1475   1HG2  THR  45          1HG2      THR  45   5.687  17.315   2.245
 1476   2HG2  THR  45          2HG2      THR  45   4.878  18.698   1.507
 1477   3HG2  THR  45          3HG2      THR  45   6.613  18.473   1.289
 1478    H    ALA  46           H        ALA  46   3.690  15.307   0.823
 1479    HA   ALA  46           HA       ALA  46   3.882  14.555   3.548
 1480   1HB   ALA  46          1HB       ALA  46   1.736  15.034   2.741
 1481   2HB   ALA  46          2HB       ALA  46   1.683  13.272   2.797
 1482   3HB   ALA  46          3HB       ALA  46   1.975  14.097   1.266
 1483    H    LEU  47           H        LEU  47   3.849  12.468   0.631
 1484    HA   LEU  47           HA       LEU  47   4.415  10.086   2.290
 1485   1HB   LEU  47          1HB       LEU  47   3.771  10.705  -0.595
 1486   2HB   LEU  47          2HB       LEU  47   4.376   9.109  -0.154
 1487    HG   LEU  47           HG       LEU  47   1.925   9.108  -0.143
 1488   1HD1  LEU  47          1HD1      LEU  47   1.937   7.738   1.648
 1489   2HD1  LEU  47          2HD1      LEU  47   2.229   9.084   2.750
 1490   3HD1  LEU  47          3HD1      LEU  47   3.586   8.285   1.955
 1491   1HD2  LEU  47          1HD2      LEU  47   1.859  11.628   0.417
 1492   2HD2  LEU  47          2HD2      LEU  47   2.017  11.124   2.100
 1493   3HD2  LEU  47          3HD2      LEU  47   0.625  10.603   1.150
 1494    H    GLU  48           H        GLU  48   6.512  12.064   2.305
 1495    HA   GLU  48           HA       GLU  48   8.578  11.267   0.398
 1496   1HB   GLU  48          1HB       GLU  48   9.897  12.883   1.741
 1497   2HB   GLU  48          2HB       GLU  48   8.314  13.548   1.345
 1498   1HG   GLU  48          1HG       GLU  48   7.910  13.830   3.541
 1499   2HG   GLU  48          2HG       GLU  48   8.019  12.084   3.764
 1500    H    ASP  49           H        ASP  49   7.995   8.876   1.398
 1501    HA   ASP  49           HA       ASP  49  10.259   8.290   3.250
 1502   1HB   ASP  49          1HB       ASP  49   7.349   8.063   3.716
 1503   2HB   ASP  49          2HB       ASP  49   8.259   6.611   4.133
 1504    H    TYR  50           H        TYR  50   7.601   6.181   2.205
 1505    HA   TYR  50           HA       TYR  50   9.605   4.398   0.906
 1506   1HB   TYR  50          1HB       TYR  50   6.654   3.855   1.321
 1507   2HB   TYR  50          2HB       TYR  50   7.971   2.692   1.224
 1508    HD1  TYR  50           HD1      TYR  50   5.765   4.266   3.415
 1509    HD2  TYR  50           HD2      TYR  50   9.897   3.128   3.108
 1510    HE1  TYR  50           HE1      TYR  50   5.963   4.320   5.885
 1511    HE2  TYR  50           HE2      TYR  50  10.094   3.184   5.580
 1512    HH   TYR  50           HH       TYR  50   8.850   3.184   7.522
 1513    H    LEU  51           H        LEU  51   9.266   6.635  -0.610
 1514    HA   LEU  51           HA       LEU  51   7.230   5.939  -2.692
 1515   1HB   LEU  51          1HB       LEU  51   7.804   8.258  -1.252
 1516   2HB   LEU  51          2HB       LEU  51   8.558   8.555  -2.817
 1517    HG   LEU  51           HG       LEU  51   6.362   7.818  -3.877
 1518   1HD1  LEU  51          1HD1      LEU  51   5.732   7.583  -0.994
 1519   2HD1  LEU  51          2HD1      LEU  51   5.011   6.756  -2.374
 1520   3HD1  LEU  51          3HD1      LEU  51   4.503   8.394  -1.965
 1521   1HD2  LEU  51          1HD2      LEU  51   5.200  10.033  -2.971
 1522   2HD2  LEU  51          2HD2      LEU  51   6.641  10.118  -3.985
 1523   3HD2  LEU  51          3HD2      LEU  51   6.783  10.287  -2.235
 1524    H    PHE  52           H        PHE  52   7.962   5.328  -4.688
 1525    HA   PHE  52           HA       PHE  52  10.879   5.371  -5.238
 1526   1HB   PHE  52          1HB       PHE  52   8.412   4.012  -6.290
 1527   2HB   PHE  52          2HB       PHE  52   9.829   4.107  -7.336
 1528    HD1  PHE  52           HD1      PHE  52   8.250   2.240  -4.775
 1529    HD2  PHE  52           HD2      PHE  52  12.123   3.454  -6.184
 1530    HE1  PHE  52           HE1      PHE  52   9.290   0.358  -3.539
 1531    HE2  PHE  52           HE2      PHE  52  13.162   1.572  -4.948
 1532    HZ   PHE  52           HZ       PHE  52  11.746   0.024  -3.626
 1533    H    SER  53           H        SER  53  11.215   5.806  -7.815
 1534    HA   SER  53           HA       SER  53   9.596   8.173  -8.640
 1535   1HB   SER  53          1HB       SER  53  11.528   9.560  -8.746
 1536   2HB   SER  53          2HB       SER  53  11.709   8.689  -7.224
 1537    HG   SER  53           HG       SER  53  13.579   8.747  -8.707
 1538    H    ARG  54           H        ARG  54   9.042   7.893 -10.723
 1539    HA   ARG  54           HA       ARG  54  10.812   6.243 -12.492
 1540   1HB   ARG  54          1HB       ARG  54   8.481   5.452 -11.978
 1541   2HB   ARG  54          2HB       ARG  54   7.855   6.940 -12.688
 1542   1HG   ARG  54          1HG       ARG  54   9.763   5.380 -14.353
 1543   2HG   ARG  54          2HG       ARG  54   8.167   4.670 -14.112
 1544   1HD   ARG  54          1HD       ARG  54   7.121   6.298 -15.349
 1545   2HD   ARG  54          2HD       ARG  54   8.204   7.574 -14.760
 1546    HE   ARG  54           HE       ARG  54   9.846   5.912 -16.276
 1547   1HH1  ARG  54          1HH1      ARG  54   6.893   7.667 -16.837
 1548   2HH1  ARG  54          2HH1      ARG  54   7.223   7.902 -18.518
 1549   1HH2  ARG  54          1HH2      ARG  54  10.252   6.230 -18.460
 1550   2HH2  ARG  54          2HH2      ARG  54   9.110   7.096 -19.433
 1551    H    LYS  55           H        LYS  55  10.644   7.021 -14.876
 1552    HA   LYS  55           HA       LYS  55  11.281   9.863 -14.965
 1553   1HB   LYS  55          1HB       LYS  55  11.302   7.470 -16.738
 1554   2HB   LYS  55          2HB       LYS  55  11.203   9.032 -17.551
 1555   1HG   LYS  55          1HG       LYS  55  13.166   9.754 -16.065
 1556   2HG   LYS  55          2HG       LYS  55  13.352   8.046 -15.666
 1557   1HD   LYS  55          1HD       LYS  55  13.512   7.545 -18.115
 1558   2HD   LYS  55          2HD       LYS  55  13.471   9.279 -18.435
 1559   1HE   LYS  55          1HE       LYS  55  15.469   8.484 -16.408
 1560   2HE   LYS  55          2HE       LYS  55  15.784   7.853 -18.036
 1561   1HZ   LYS  55          1HZ       LYS  55  16.690  10.045 -17.927
 1562   2HZ   LYS  55          2HZ       LYS  55  15.260  10.676 -17.263
 1563   3HZ   LYS  55          3HZ       LYS  55  15.282  10.135 -18.872
 1564    H    ASN  56           H        ASN  56   8.971  10.344 -14.119
 1565    HA   ASN  56           HA       ASN  56   6.752  10.099 -15.976
 1566   1HB   ASN  56          1HB       ASN  56   7.810  12.893 -15.540
 1567   2HB   ASN  56          2HB       ASN  56   8.473  11.898 -16.836
 1568   1HD2  ASN  56          1HD2      ASN  56   6.989  11.243 -18.585
 1569   2HD2  ASN  56          2HD2      ASN  56   5.526  12.066 -18.834
 1570    H    MET  57           H        MET  57   7.540   9.737 -13.091
 1571    HA   MET  57           HA       MET  57   6.307  11.803 -11.504
 1572   1HB   MET  57          1HB       MET  57   4.189  10.636 -11.101
 1573   2HB   MET  57          2HB       MET  57   4.364  10.964 -12.814
 1574   1HG   MET  57          1HG       MET  57   5.337   8.339 -11.727
 1575   2HG   MET  57          2HG       MET  57   3.612   8.576 -11.992
 1576   1HE   MET  57          1HE       MET  57   3.049   8.980 -15.616
 1577   2HE   MET  57          2HE       MET  57   2.718   9.745 -14.061
 1578   3HE   MET  57          3HE       MET  57   2.517   8.003 -14.247
 1579    H    SER  58           H        SER  58   5.311  10.392  -9.401
 1580    HA   SER  58           HA       SER  58   7.527   8.521  -8.623
 1581   1HB   SER  58          1HB       SER  58   7.470   9.546  -6.460
 1582   2HB   SER  58          2HB       SER  58   7.357  10.893  -7.593
 1583    HG   SER  58           HG       SER  58   5.203  11.040  -7.221
 1584    H    ALA  59           H        ALA  59   6.764   6.949  -6.858
 1585    HA   ALA  59           HA       ALA  59   3.831   6.479  -6.847
 1586   1HB   ALA  59          1HB       ALA  59   4.717   3.976  -7.432
 1587   2HB   ALA  59          2HB       ALA  59   5.930   4.933  -8.283
 1588   3HB   ALA  59          3HB       ALA  59   4.220   5.127  -8.672
 1589    H    MET  60           H        MET  60   3.158   5.099  -5.104
 1590    HA   MET  60           HA       MET  60   5.118   4.884  -2.893
 1591   1HB   MET  60          1HB       MET  60   2.807   5.779  -2.582
 1592   2HB   MET  60          2HB       MET  60   2.157   4.224  -3.100
 1593   1HG   MET  60          1HG       MET  60   2.204   4.379  -0.637
 1594   2HG   MET  60          2HG       MET  60   3.286   3.111  -1.213
 1595   1HE   MET  60          1HE       MET  60   2.582   5.635   0.922
 1596   2HE   MET  60          2HE       MET  60   3.361   7.026   0.167
 1597   3HE   MET  60          3HE       MET  60   4.067   6.294   1.608
 1598    H    ALA  61           H        ALA  61   5.561   2.842  -1.857
 1599    HA   ALA  61           HA       ALA  61   5.557   0.560  -3.709
 1600   1HB   ALA  61          1HB       ALA  61   6.941   1.526  -1.325
 1601   2HB   ALA  61          2HB       ALA  61   7.516   0.416  -2.569
 1602   3HB   ALA  61          3HB       ALA  61   6.575  -0.195  -1.208
 1603    H    LEU  62           H        LEU  62   3.317  -0.059  -3.789
 1604    HA   LEU  62           HA       LEU  62   1.452  -1.324  -3.102
 1605   1HB   LEU  62          1HB       LEU  62   1.296  -0.669  -0.369
 1606   2HB   LEU  62          2HB       LEU  62   2.082   0.718  -1.125
 1607    HG   LEU  62           HG       LEU  62   0.233   0.612  -2.896
 1608   1HD1  LEU  62          1HD1      LEU  62  -0.380  -1.748  -1.501
 1609   2HD1  LEU  62          2HD1      LEU  62  -1.353  -0.985  -2.760
 1610   3HD1  LEU  62          3HD1      LEU  62  -1.657  -0.612  -1.063
 1611   1HD2  LEU  62          1HD2      LEU  62   0.410   2.085  -0.697
 1612   2HD2  LEU  62          2HD2      LEU  62  -0.986   1.124  -0.209
 1613   3HD2  LEU  62          3HD2      LEU  62  -1.059   2.102  -1.674
 1614    H    GLY  63           H        GLY  63   3.874  -2.762  -3.099
 1615   1HA   GLY  63          1HA       GLY  63   3.214  -4.985  -1.426
 1616   2HA   GLY  63          2HA       GLY  63   4.732  -4.795  -2.303
 1617    H    PHE  64           H        PHE  64   6.181  -5.350  -0.671
 1618    HA   PHE  64           HA       PHE  64   5.903  -4.128   2.011
 1619   1HB   PHE  64          1HB       PHE  64   7.710  -6.165   0.681
 1620   2HB   PHE  64          2HB       PHE  64   7.996  -5.608   2.329
 1621    HD1  PHE  64           HD1      PHE  64   6.679  -8.247   0.631
 1622    HD2  PHE  64           HD2      PHE  64   5.500  -5.402   3.625
 1623    HE1  PHE  64           HE1      PHE  64   4.963  -9.833   1.463
 1624    HE2  PHE  64           HE2      PHE  64   3.784  -6.988   4.457
 1625    HZ   PHE  64           HZ       PHE  64   3.516  -9.204   3.375
 1626    H    GLY  65           H        GLY  65   6.952  -2.846  -0.770
 1627   1HA   GLY  65          1HA       GLY  65   9.611  -2.075  -0.574
 1628   2HA   GLY  65          2HA       GLY  65   8.360  -1.011  -1.209
 1629    H    ALA  66           H        ALA  66   6.918  -0.936   1.386
 1630    HA   ALA  66           HA       ALA  66   8.246   1.327   2.574
 1631   1HB   ALA  66          1HB       ALA  66   5.813  -0.266   2.847
 1632   2HB   ALA  66          2HB       ALA  66   6.061   1.444   3.200
 1633   3HB   ALA  66          3HB       ALA  66   6.435   0.227   4.421
 1634    H    ILE  67           H        ILE  67   7.362  -1.613   4.369
 1635    HA   ILE  67           HA       ILE  67   9.341  -1.368   6.357
 1636    HB   ILE  67           HB       ILE  67   8.871  -3.839   6.674
 1637   1HG1  ILE  67          1HG1      ILE  67   6.774  -4.412   5.064
 1638   2HG1  ILE  67          2HG1      ILE  67   7.734  -3.437   3.956
 1639   1HG2  ILE  67          1HG2      ILE  67   6.590  -1.900   6.259
 1640   2HG2  ILE  67          2HG2      ILE  67   7.421  -2.283   7.767
 1641   3HG2  ILE  67          3HG2      ILE  67   6.380  -3.485   7.003
 1642   1HD1  ILE  67          1HD1      ILE  67   9.392  -5.298   5.450
 1643   2HD1  ILE  67          2HD1      ILE  67   9.263  -5.065   3.706
 1644   3HD1  ILE  67          3HD1      ILE  67   8.131  -6.131   4.540
 1645    H    PHE  68           H        PHE  68   9.707  -2.433   3.085
 1646    HA   PHE  68           HA       PHE  68  11.913  -4.176   3.202
 1647   1HB   PHE  68          1HB       PHE  68  10.527  -2.519   1.344
 1648   2HB   PHE  68          2HB       PHE  68  12.244  -2.189   1.142
 1649    HD1  PHE  68           HD1      PHE  68  13.786  -3.947   0.404
 1650    HD2  PHE  68           HD2      PHE  68   9.611  -4.760   0.977
 1651    HE1  PHE  68           HE1      PHE  68  14.033  -6.096  -0.812
 1652    HE2  PHE  68           HE2      PHE  68   9.854  -6.903  -0.235
 1653    HZ   PHE  68           HZ       PHE  68  12.063  -7.572  -1.129
 1654    H    ASN  69           H        ASN  69  14.042  -3.884   3.862
 1655    HA   ASN  69           HA       ASN  69  14.843  -1.110   4.647
 1656   1HB   ASN  69          1HB       ASN  69  15.293  -3.895   5.630
 1657   2HB   ASN  69          2HB       ASN  69  16.603  -2.741   5.882
 1658   1HD2  ASN  69          1HD2      ASN  69  15.711  -3.345   8.253
 1659   2HD2  ASN  69          2HD2      ASN  69  14.553  -2.266   8.866
 1660    H    HIS  70           H        HIS  70  17.390  -0.952   4.656
 1661    HA   HIS  70           HA       HIS  70  18.330  -1.698   1.917
 1662   1HB   HIS  70          1HB       HIS  70  18.258   0.692   2.482
 1663   2HB   HIS  70          2HB       HIS  70  19.189   0.398   3.949
 1664    HD1  HIS  70           HD1      HIS  70  19.590   1.262   0.445
 1665    HD2  HIS  70           HD2      HIS  70  21.914  -0.681   3.308
 1666    HE1  HIS  70           HE1      HIS  70  21.963   1.260  -0.440
 1667    H    SER  71           H        SER  71  20.571  -2.490   1.739
 1668    HA   SER  71           HA       SER  71  21.861  -3.400   4.255
 1669   1HB   SER  71          1HB       SER  71  20.291  -5.176   3.674
 1670   2HB   SER  71          2HB       SER  71  20.865  -5.186   2.007
 1671    HG   SER  71           HG       SER  71  21.766  -6.640   3.940
 1672    H    LYS  72           H        LYS  72  24.100  -3.541   4.026
 1673    HA   LYS  72           HA       LYS  72  25.451  -2.253   1.908
 1674   1HB   LYS  72          1HB       LYS  72  26.105  -3.163   4.335
 1675   2HB   LYS  72          2HB       LYS  72  26.723  -4.526   3.402
 1676   1HG   LYS  72          1HG       LYS  72  28.558  -3.024   3.563
 1677   2HG   LYS  72          2HG       LYS  72  27.909  -2.765   1.944
 1678   1HD   LYS  72          1HD       LYS  72  26.414  -0.972   3.270
 1679   2HD   LYS  72          2HD       LYS  72  27.821  -0.982   4.333
 1680   1HE   LYS  72          1HE       LYS  72  28.563  -0.899   1.493
 1681   2HE   LYS  72          2HE       LYS  72  27.604   0.505   2.000
 1682   1HZ   LYS  72          1HZ       LYS  72  29.965   0.831   2.483
 1683   2HZ   LYS  72          2HZ       LYS  72  29.982  -0.583   3.424
 1684   3HZ   LYS  72          3HZ       LYS  72  29.061   0.755   3.919
 1685    H    ASP  73           H        ASP  73  24.392  -5.595   2.232
 1686    HA   ASP  73           HA       ASP  73  25.614  -6.213  -0.437
 1687   1HB   ASP  73          1HB       ASP  73  25.279  -7.630   2.137
 1688   2HB   ASP  73          2HB       ASP  73  24.879  -8.606   0.723
 1689    HA   PRO  74           HA       PRO  74  21.146  -5.764  -1.341
 1690   1HB   PRO  74          1HB       PRO  74  22.243  -6.179  -4.084
 1691   2HB   PRO  74          2HB       PRO  74  21.143  -4.921  -3.492
 1692   1HG   PRO  74          1HG       PRO  74  23.725  -4.430  -4.038
 1693   2HG   PRO  74          2HG       PRO  74  22.852  -3.595  -2.747
 1694   1HD   PRO  74          1HD       PRO  74  24.905  -5.729  -2.567
 1695   2HD   PRO  74          2HD       PRO  74  24.528  -4.418  -1.430
 1696    H    ASN  75           H        ASN  75  19.966  -7.603  -1.037
 1697    HA   ASN  75           HA       ASN  75  20.943 -10.150  -2.276
 1698   1HB   ASN  75          1HB       ASN  75  19.554 -11.170  -0.442
 1699   2HB   ASN  75          2HB       ASN  75  20.828 -10.116   0.172
 1700   1HD2  ASN  75          1HD2      ASN  75  20.118  -8.628   1.702
 1701   2HD2  ASN  75          2HD2      ASN  75  18.529  -8.044   1.834
 1702    H    ALA  76           H        ALA  76  18.321  -7.858  -2.166
 1703    HA   ALA  76           HA       ALA  76  16.889  -9.439  -4.242
 1704   1HB   ALA  76          1HB       ALA  76  15.638 -10.176  -2.430
 1705   2HB   ALA  76          2HB       ALA  76  14.790  -8.663  -2.749
 1706   3HB   ALA  76          3HB       ALA  76  16.002  -8.741  -1.470
 1707    H    ARG  77           H        ARG  77  15.598  -8.105  -5.615
 1708    HA   ARG  77           HA       ARG  77  15.829  -5.153  -5.126
 1709   1HB   ARG  77          1HB       ARG  77  16.777  -6.894  -7.284
 1710   2HB   ARG  77          2HB       ARG  77  15.780  -5.571  -7.890
 1711   1HG   ARG  77          1HG       ARG  77  17.217  -4.069  -6.327
 1712   2HG   ARG  77          2HG       ARG  77  18.343  -5.427  -6.309
 1713   1HD   ARG  77          1HD       ARG  77  17.864  -5.246  -8.983
 1714   2HD   ARG  77          2HD       ARG  77  17.700  -3.544  -8.510
 1715    HE   ARG  77           HE       ARG  77  19.950  -4.372  -7.136
 1716   1HH1  ARG  77          1HH1      ARG  77  18.947  -4.515 -10.467
 1717   2HH1  ARG  77          2HH1      ARG  77  20.565  -4.438 -11.072
 1718   1HH2  ARG  77          1HH2      ARG  77  22.042  -4.274  -7.947
 1719   2HH2  ARG  77          2HH2      ARG  77  22.305  -4.302  -9.659
 1720    H    HIS  78           H        HIS  78  14.276  -4.145  -7.066
 1721    HA   HIS  78           HA       HIS  78  11.673  -5.620  -6.870
 1722   1HB   HIS  78          1HB       HIS  78  10.649  -3.372  -6.522
 1723   2HB   HIS  78          2HB       HIS  78  11.825  -3.752  -5.264
 1724    HD1  HIS  78           HD1      HIS  78  13.220  -1.758  -4.766
 1725    HD2  HIS  78           HD2      HIS  78  12.281  -1.978  -8.822
 1726    HE1  HIS  78           HE1      HIS  78  14.360   0.214  -5.873
 1727    H    GLU  79           H        GLU  79  10.047  -4.522  -8.501
 1728    HA   GLU  79           HA       GLU  79  11.468  -3.726 -11.013
 1729   1HB   GLU  79          1HB       GLU  79  10.753  -6.249 -10.637
 1730   2HB   GLU  79          2HB       GLU  79   9.145  -5.642 -11.032
 1731   1HG   GLU  79          1HG       GLU  79   9.892  -4.837 -13.176
 1732   2HG   GLU  79          2HG       GLU  79  11.579  -5.145 -12.765
 1733    H    LEU  80           H        LEU  80  10.131  -2.478 -12.462
 1734    HA   LEU  80           HA       LEU  80   7.576  -1.471 -11.245
 1735   1HB   LEU  80          1HB       LEU  80   9.696  -0.005 -12.864
 1736   2HB   LEU  80          2HB       LEU  80   8.232   0.723 -12.203
 1737    HG   LEU  80           HG       LEU  80  10.372  -0.628 -10.532
 1738   1HD1  LEU  80          1HD1      LEU  80  11.465   1.352 -10.362
 1739   2HD1  LEU  80          2HD1      LEU  80   9.961   2.267 -10.246
 1740   3HD1  LEU  80          3HD1      LEU  80  10.592   1.803 -11.827
 1741   1HD2  LEU  80          1HD2      LEU  80   8.623   1.293  -9.228
 1742   2HD2  LEU  80          2HD2      LEU  80   8.951  -0.385  -8.797
 1743   3HD2  LEU  80          3HD2      LEU  80   7.694  -0.007  -9.975
 1744    H    THR  81           H        THR  81   5.817  -1.493 -12.624
 1745    HA   THR  81           HA       THR  81   6.108  -2.754 -15.254
 1746    HB   THR  81           HB       THR  81   3.495  -1.786 -14.964
 1747    HG1  THR  81           HG1      THR  81   4.344  -2.743 -12.452
 1748   1HG2  THR  81          1HG2      THR  81   4.956  -4.310 -14.733
 1749   2HG2  THR  81          2HG2      THR  81   3.396  -3.983 -15.486
 1750   3HG2  THR  81          3HG2      THR  81   3.492  -4.282 -13.750
 1751    H    ALA  82           H        ALA  82   4.306  -1.464 -16.851
 1752    HA   ALA  82           HA       ALA  82   5.773   0.678 -17.989
 1753   1HB   ALA  82          1HB       ALA  82   3.749  -0.891 -18.749
 1754   2HB   ALA  82          2HB       ALA  82   4.006   0.679 -19.510
 1755   3HB   ALA  82          3HB       ALA  82   2.788   0.500 -18.247
 1756    H    GLY  83           H        GLY  83   6.259   2.158 -16.217
 1757   1HA   GLY  83          1HA       GLY  83   5.821   4.336 -15.353
 1758   2HA   GLY  83          2HA       GLY  83   4.128   4.150 -15.811
 1759    H    LEU  84           H        LEU  84   6.410   2.424 -13.656
 1760    HA   LEU  84           HA       LEU  84   6.138   1.667 -11.446
 1761   1HB   LEU  84          1HB       LEU  84   4.300   4.092 -11.453
 1762   2HB   LEU  84          2HB       LEU  84   4.981   3.336 -10.014
 1763    HG   LEU  84           HG       LEU  84   6.865   4.172 -12.181
 1764   1HD1  LEU  84          1HD1      LEU  84   5.380   6.031 -10.316
 1765   2HD1  LEU  84          2HD1      LEU  84   5.583   6.176 -12.062
 1766   3HD1  LEU  84          3HD1      LEU  84   6.957   6.446 -10.989
 1767   1HD2  LEU  84          1HD2      LEU  84   7.537   4.892  -9.467
 1768   2HD2  LEU  84          2HD2      LEU  84   8.349   3.753 -10.540
 1769   3HD2  LEU  84          3HD2      LEU  84   7.012   3.209  -9.527
 1770    H    LYS  85           H        LYS  85   2.986   2.735 -10.756
 1771    HA   LYS  85           HA       LYS  85   0.944   1.616 -10.538
 1772   1HB   LYS  85          1HB       LYS  85   2.110   0.895 -13.165
 1773   2HB   LYS  85          2HB       LYS  85   0.827  -0.174 -12.595
 1774   1HG   LYS  85          1HG       LYS  85  -0.769   1.435 -12.812
 1775   2HG   LYS  85          2HG       LYS  85   0.296   2.696 -12.193
 1776   1HD   LYS  85          1HD       LYS  85   1.275   1.778 -14.741
 1777   2HD   LYS  85          2HD       LYS  85  -0.423   2.233 -14.888
 1778   1HE   LYS  85          1HE       LYS  85   0.009   4.452 -14.473
 1779   2HE   LYS  85          2HE       LYS  85   1.286   4.081 -13.299
 1780   1HZ   LYS  85          1HZ       LYS  85   2.436   4.853 -15.168
 1781   2HZ   LYS  85          2HZ       LYS  85   1.424   4.031 -16.257
 1782   3HZ   LYS  85          3HZ       LYS  85   2.535   3.163 -15.311
 1783    H    ARG  86           H        ARG  86   2.564  -1.174 -12.004
 1784    HA   ARG  86           HA       ARG  86   1.995  -2.701  -9.515
 1785   1HB   ARG  86          1HB       ARG  86   1.670  -3.152 -12.240
 1786   2HB   ARG  86          2HB       ARG  86   3.101  -4.105 -11.848
 1787   1HG   ARG  86          1HG       ARG  86   1.522  -4.736  -9.735
 1788   2HG   ARG  86          2HG       ARG  86   0.290  -4.461 -10.967
 1789   1HD   ARG  86          1HD       ARG  86   2.368  -5.964 -12.204
 1790   2HD   ARG  86          2HD       ARG  86   2.000  -6.747 -10.656
 1791    HE   ARG  86           HE       ARG  86  -0.390  -5.906 -12.112
 1792   1HH1  ARG  86          1HH1      ARG  86   1.995  -8.409 -11.702
 1793   2HH1  ARG  86          2HH1      ARG  86   0.952  -9.653 -12.298
 1794   1HH2  ARG  86          1HH2      ARG  86  -1.726  -7.540 -12.881
 1795   2HH2  ARG  86          2HH2      ARG  86  -1.139  -9.167 -12.961
 1796    H    MET  87           H        MET  87   3.637  -3.616  -8.287
 1797    HA   MET  87           HA       MET  87   6.448  -3.245  -9.262
 1798   1HB   MET  87          1HB       MET  87   5.009  -2.342  -6.828
 1799   2HB   MET  87          2HB       MET  87   6.617  -3.007  -6.544
 1800   1HG   MET  87          1HG       MET  87   7.371  -1.475  -8.491
 1801   2HG   MET  87          2HG       MET  87   5.837  -0.641  -8.244
 1802   1HE   MET  87          1HE       MET  87   8.142  -2.112  -4.983
 1803   2HE   MET  87          2HE       MET  87   9.454  -1.155  -5.670
 1804   3HE   MET  87          3HE       MET  87   8.611  -2.341  -6.667
 1805    H    ARG  88           H        ARG  88   7.858  -4.953  -8.761
 1806    HA   ARG  88           HA       ARG  88   6.648  -7.290  -7.317
 1807   1HB   ARG  88          1HB       ARG  88   8.529  -7.230  -9.708
 1808   2HB   ARG  88          2HB       ARG  88   7.872  -8.684  -8.959
 1809   1HG   ARG  88          1HG       ARG  88   5.711  -8.272  -9.745
 1810   2HG   ARG  88          2HG       ARG  88   6.000  -6.541  -9.928
 1811   1HD   ARG  88          1HD       ARG  88   6.430  -6.933 -12.123
 1812   2HD   ARG  88          2HD       ARG  88   7.879  -7.824 -11.619
 1813    HE   ARG  88           HE       ARG  88   5.411  -9.372 -11.347
 1814   1HH1  ARG  88          1HH1      ARG  88   7.996  -8.415 -13.474
 1815   2HH1  ARG  88          2HH1      ARG  88   7.819  -9.801 -14.493
 1816   1HH2  ARG  88          1HH2      ARG  88   5.201 -11.164 -12.684
 1817   2HH2  ARG  88          2HH2      ARG  88   6.250 -11.347 -14.051
 1818    H    ILE  89           H        ILE  89   8.323  -8.726  -6.334
 1819    HA   ILE  89           HA       ILE  89  10.817  -7.223  -5.602
 1820    HB   ILE  89           HB       ILE  89   9.042  -9.065  -3.952
 1821   1HG1  ILE  89          1HG1      ILE  89   9.606  -6.095  -3.696
 1822   2HG1  ILE  89          2HG1      ILE  89   8.129  -6.784  -4.370
 1823   1HG2  ILE  89          1HG2      ILE  89  10.536  -8.472  -2.082
 1824   2HG2  ILE  89          2HG2      ILE  89  11.541  -7.527  -3.180
 1825   3HG2  ILE  89          3HG2      ILE  89  11.436  -9.277  -3.368
 1826   1HD1  ILE  89          1HD1      ILE  89   8.473  -6.154  -1.722
 1827   2HD1  ILE  89          2HD1      ILE  89   8.887  -7.869  -1.732
 1828   3HD1  ILE  89          3HD1      ILE  89   7.311  -7.339  -2.319
 1829    H    PHE  90           H        PHE  90  12.243  -8.320  -6.995
 1830    HA   PHE  90           HA       PHE  90  12.131 -11.288  -7.115
 1831   1HB   PHE  90          1HB       PHE  90  13.146  -9.010  -8.718
 1832   2HB   PHE  90          2HB       PHE  90  14.189 -10.432  -8.735
 1833    HD1  PHE  90           HD1      PHE  90  11.525  -8.900 -10.375
 1834    HD2  PHE  90           HD2      PHE  90  12.780 -12.749  -8.937
 1835    HE1  PHE  90           HE1      PHE  90  10.002 -10.001 -11.993
 1836    HE2  PHE  90           HE2      PHE  90  11.257 -13.849 -10.555
 1837    HZ   PHE  90           HZ       PHE  90   9.867 -12.475 -12.083
 1838    H    THR  91           H        THR  91  14.641 -12.100  -7.408
 1839    HA   THR  91           HA       THR  91  16.162 -11.072  -5.034
 1840    HB   THR  91           HB       THR  91  16.799 -13.574  -4.838
 1841    HG1  THR  91           HG1      THR  91  15.444 -14.980  -5.881
 1842   1HG2  THR  91          1HG2      THR  91  15.273 -12.540  -3.255
 1843   2HG2  THR  91          2HG2      THR  91  14.618 -14.112  -3.713
 1844   3HG2  THR  91          3HG2      THR  91  13.945 -12.639  -4.412
 1845    H    ILE  92           H        ILE  92  17.735  -9.929  -6.232
 1846    HA   ILE  92           HA       ILE  92  18.915 -10.670  -8.685
 1847    HB   ILE  92           HB       ILE  92  20.736  -9.145  -7.904
 1848   1HG1  ILE  92          1HG1      ILE  92  19.259  -9.173  -5.257
 1849   2HG1  ILE  92          2HG1      ILE  92  20.741 -10.081  -5.555
 1850   1HG2  ILE  92          1HG2      ILE  92  19.184  -7.636  -8.556
 1851   2HG2  ILE  92          2HG2      ILE  92  18.783  -7.458  -6.847
 1852   3HG2  ILE  92          3HG2      ILE  92  17.870  -8.581  -7.855
 1853   1HD1  ILE  92          1HD1      ILE  92  20.755  -7.187  -6.274
 1854   2HD1  ILE  92          2HD1      ILE  92  22.050  -8.189  -5.618
 1855   3HD1  ILE  92          3HD1      ILE  92  20.776  -7.589  -4.557
 1856    H    LYS  93           H        LYS  93  19.492 -11.925  -5.462
 1857    HA   LYS  93           HA       LYS  93  21.421 -13.877  -6.625
 1858   1HB   LYS  93          1HB       LYS  93  22.929 -13.414  -4.673
 1859   2HB   LYS  93          2HB       LYS  93  22.731 -12.009  -5.720
 1860   1HG   LYS  93          1HG       LYS  93  21.813 -10.810  -4.046
 1861   2HG   LYS  93          2HG       LYS  93  20.647 -12.087  -3.703
 1862   1HD   LYS  93          1HD       LYS  93  21.777 -12.405  -1.769
 1863   2HD   LYS  93          2HD       LYS  93  23.046 -13.130  -2.757
 1864   1HE   LYS  93          1HE       LYS  93  23.652 -10.499  -3.081
 1865   2HE   LYS  93          2HE       LYS  93  22.969 -10.466  -1.444
 1866   1HZ   LYS  93          1HZ       LYS  93  24.992 -12.434  -2.387
 1867   2HZ   LYS  93          2HZ       LYS  93  24.408 -12.259  -0.802
 1868   3HZ   LYS  93          3HZ       LYS  93  25.369 -11.040  -1.492
 1869    HA   PRO  94           HA       PRO  94  19.094 -16.773  -4.264
 1870   1HB   PRO  94          1HB       PRO  94  21.688 -18.107  -3.658
 1871   2HB   PRO  94          2HB       PRO  94  20.246 -18.765  -4.452
 1872   1HG   PRO  94          1HG       PRO  94  22.486 -18.161  -5.805
 1873   2HG   PRO  94          2HG       PRO  94  20.874 -17.998  -6.514
 1874   1HD   PRO  94          1HD       PRO  94  22.734 -15.897  -5.540
 1875   2HD   PRO  94          2HD       PRO  94  21.536 -15.835  -6.849
 1876    H    ILE  95           H        ILE  95  18.398 -16.452  -2.187
 1877    HA   ILE  95           HA       ILE  95  20.294 -15.323  -0.192
 1878    HB   ILE  95           HB       ILE  95  17.275 -15.680  -0.290
 1879   1HG1  ILE  95          1HG1      ILE  95  18.945 -13.158  -0.474
 1880   2HG1  ILE  95          2HG1      ILE  95  18.345 -14.030  -1.885
 1881   1HG2  ILE  95          1HG2      ILE  95  17.969 -13.713   1.590
 1882   2HG2  ILE  95          2HG2      ILE  95  19.076 -15.051   1.902
 1883   3HG2  ILE  95          3HG2      ILE  95  17.333 -15.321   1.937
 1884   1HD1  ILE  95          1HD1      ILE  95  16.094 -13.790  -0.275
 1885   2HD1  ILE  95          2HD1      ILE  95  16.468 -12.784  -1.674
 1886   3HD1  ILE  95          3HD1      ILE  95  16.917 -12.245  -0.056
 1887    H    ALA  96           H        ALA  96  20.737 -16.389   1.765
 1888    HA   ALA  96           HA       ALA  96  20.208 -19.296   1.801
 1889   1HB   ALA  96          1HB       ALA  96  21.687 -17.659   3.867
 1890   2HB   ALA  96          2HB       ALA  96  22.410 -17.980   2.291
 1891   3HB   ALA  96          3HB       ALA  96  21.996 -19.320   3.359
 1892    H    ILE  97           H        ILE  97  19.285 -20.340   3.707
 1893    HA   ILE  97           HA       ILE  97  16.933 -19.052   4.746
 1894    HB   ILE  97           HB       ILE  97  18.509 -21.518   5.575
 1895   1HG1  ILE  97          1HG1      ILE  97  15.930 -21.395   4.012
 1896   2HG1  ILE  97          2HG1      ILE  97  17.496 -21.293   3.208
 1897   1HG2  ILE  97          1HG2      ILE  97  15.705 -21.678   6.160
 1898   2HG2  ILE  97          2HG2      ILE  97  16.351 -20.213   6.899
 1899   3HG2  ILE  97          3HG2      ILE  97  17.063 -21.781   7.280
 1900   1HD1  ILE  97          1HD1      ILE  97  18.147 -23.439   4.335
 1901   2HD1  ILE  97          2HD1      ILE  97  16.787 -23.618   3.226
 1902   3HD1  ILE  97          3HD1      ILE  97  16.504 -23.556   4.966
 1903    H    GLY  98           H        GLY  98  17.049 -17.381   6.198
 1904   1HA   GLY  98          1HA       GLY  98  17.414 -16.854   8.600
 1905   2HA   GLY  98          2HA       GLY  98  18.978 -17.659   8.468
 1906    H    GLU  99           H        GLU  99  17.726 -15.525   5.970
 1907    HA   GLU  99           HA       GLU  99  19.903 -13.579   6.662
 1908   1HB   GLU  99          1HB       GLU  99  18.624 -14.390   4.024
 1909   2HB   GLU  99          2HB       GLU  99  19.853 -13.135   4.185
 1910   1HG   GLU  99          1HG       GLU  99  20.315 -15.929   5.232
 1911   2HG   GLU  99          2HG       GLU  99  20.656 -15.511   3.552
 1912    H    GLU 100           H        GLU 100  19.178 -11.431   5.169
 1913    HA   GLU 100           HA       GLU 100  16.381 -10.782   6.033
 1914   1HB   GLU 100          1HB       GLU 100  18.178  -9.850   7.515
 1915   2HB   GLU 100          2HB       GLU 100  18.854  -9.012   6.118
 1916   1HG   GLU 100          1HG       GLU 100  16.463  -8.021   5.841
 1917   2HG   GLU 100          2HG       GLU 100  16.223  -8.535   7.511
 1918    H    ILE 101           H        ILE 101  15.151  -9.856   4.423
 1919    HA   ILE 101           HA       ILE 101  16.422  -9.412   1.792
 1920    HB   ILE 101           HB       ILE 101  13.521  -9.177   2.665
 1921   1HG1  ILE 101          1HG1      ILE 101  15.069 -11.573   1.630
 1922   2HG1  ILE 101          2HG1      ILE 101  14.380 -11.396   3.243
 1923   1HG2  ILE 101          1HG2      ILE 101  14.387 -10.037  -0.057
 1924   2HG2  ILE 101          2HG2      ILE 101  14.574  -8.330   0.346
 1925   3HG2  ILE 101          3HG2      ILE 101  12.983  -9.086   0.424
 1926   1HD1  ILE 101          1HD1      ILE 101  12.726 -12.642   2.157
 1927   2HD1  ILE 101          2HD1      ILE 101  12.971 -11.811   0.621
 1928   3HD1  ILE 101          3HD1      ILE 101  12.133 -10.995   1.941
 1929    H    THR 102           H        THR 102  16.879  -7.428   0.999
 1930    HA   THR 102           HA       THR 102  15.489  -4.999   1.922
 1931    HB   THR 102           HB       THR 102  17.951  -4.130   2.470
 1932    HG1  THR 102           HG1      THR 102  18.992  -6.031   1.899
 1933   1HG2  THR 102          1HG2      THR 102  17.010  -5.923   4.624
 1934   2HG2  THR 102          2HG2      THR 102  15.782  -4.836   3.974
 1935   3HG2  THR 102          3HG2      THR 102  17.275  -4.180   4.646
 1936    H    ILE 103           H        ILE 103  16.315  -3.072   0.645
 1937    HA   ILE 103           HA       ILE 103  17.735  -3.895  -1.866
 1938    HB   ILE 103           HB       ILE 103  16.071  -2.479  -3.075
 1939   1HG1  ILE 103          1HG1      ILE 103  14.378  -2.407  -0.605
 1940   2HG1  ILE 103          2HG1      ILE 103  15.639  -1.190  -0.796
 1941   1HG2  ILE 103          1HG2      ILE 103  14.956  -4.416  -3.316
 1942   2HG2  ILE 103          2HG2      ILE 103  14.089  -4.089  -1.817
 1943   3HG2  ILE 103          3HG2      ILE 103  15.601  -4.995  -1.781
 1944   1HD1  ILE 103          1HD1      ILE 103  14.618  -0.966  -3.223
 1945   2HD1  ILE 103          2HD1      ILE 103  13.856  -0.143  -1.862
 1946   3HD1  ILE 103          3HD1      ILE 103  13.188  -1.662  -2.459
 1947    H    SER 104           H        SER 104  18.698  -2.010  -3.018
 1948    HA   SER 104           HA       SER 104  19.762  -0.024  -1.094
 1949   1HB   SER 104          1HB       SER 104  20.430  -0.264  -4.028
 1950   2HB   SER 104          2HB       SER 104  21.482   0.215  -2.697
 1951    HG   SER 104           HG       SER 104  22.019  -1.787  -2.524
 1952    H    TYR 105           H        TYR 105  20.031   2.286  -2.139
 1953    HA   TYR 105           HA       TYR 105  17.478   3.011  -3.540
 1954   1HB   TYR 105          1HB       TYR 105  18.948   4.564  -1.377
 1955   2HB   TYR 105          2HB       TYR 105  17.383   4.971  -2.076
 1956    HD1  TYR 105           HD1      TYR 105  16.147   2.237  -2.217
 1957    HD2  TYR 105           HD2      TYR 105  18.421   4.145   0.888
 1958    HE1  TYR 105           HE1      TYR 105  15.031   0.810  -0.521
 1959    HE2  TYR 105           HE2      TYR 105  17.307   2.719   2.582
 1960    HH   TYR 105           HH       TYR 105  14.529   1.003   1.999
 1961    H    GLY 106           H        GLY 106  20.432   4.807  -2.568
 1962   1HA   GLY 106          1HA       GLY 106  21.953   6.026  -3.876
 1963   2HA   GLY 106          2HA       GLY 106  21.460   5.027  -5.243
 1964    H    ASP 107           H        ASP 107  21.642   7.138  -6.427
 1965    HA   ASP 107           HA       ASP 107  20.627   8.981  -7.485
 1966   1HB   ASP 107          1HB       ASP 107  18.513   7.098  -6.614
 1967   2HB   ASP 107          2HB       ASP 107  17.944   8.727  -6.976
 1968    H    ASP 108           H        ASP 108  18.147   8.843  -4.959
 1969    HA   ASP 108           HA       ASP 108  19.001  11.562  -4.082
 1970   1HB   ASP 108          1HB       ASP 108  16.559  10.303  -4.711
 1971   2HB   ASP 108          2HB       ASP 108  16.532  10.497  -2.959
 1972    H    TYR 109           H        TYR 109  18.146   8.353  -2.768
 1973    HA   TYR 109           HA       TYR 109  18.537   8.959  -0.009
 1974   1HB   TYR 109          1HB       TYR 109  18.549   6.538  -1.784
 1975   2HB   TYR 109          2HB       TYR 109  19.080   6.352  -0.113
 1976    HD1  TYR 109           HD1      TYR 109  16.244   6.939  -2.331
 1977    HD2  TYR 109           HD2      TYR 109  17.541   6.951   1.764
 1978    HE1  TYR 109           HE1      TYR 109  13.879   6.938  -1.582
 1979    HE2  TYR 109           HE2      TYR 109  15.176   6.950   2.513
 1980    HH   TYR 109           HH       TYR 109  12.619   6.195   0.521
 1981    H    TRP 110           H        TRP 110  20.383   8.915   1.280
 1982    HA   TRP 110           HA       TRP 110  22.991   8.571  -0.151
 1983   1HB   TRP 110          1HB       TRP 110  23.689  10.160   1.890
 1984   2HB   TRP 110          2HB       TRP 110  23.029  10.822   0.401
 1985    HD1  TRP 110           HD1      TRP 110  21.221  12.529   0.794
 1986    HE1  TRP 110           HE1      TRP 110  19.410  12.951   2.580
 1987    HE3  TRP 110           HE3      TRP 110  22.080   8.557   3.893
 1988    HZ2  TRP 110           HZ2      TRP 110  18.454  11.761   4.997
 1989    HZ3  TRP 110           HZ3      TRP 110  20.713   8.224   5.906
 1990    HH2  TRP 110           HH2      TRP 110  18.898   9.818   6.477
 1991    H    LEU 111           H        LEU 111  21.592   6.402   1.143
 1992    HA   LEU 111           HA       LEU 111  22.314   5.833   3.788
 1993   1HB   LEU 111          1HB       LEU 111  20.909   4.531   2.071
 1994   2HB   LEU 111          2HB       LEU 111  22.428   3.873   1.472
 1995    HG   LEU 111           HG       LEU 111  21.242   2.411   3.157
 1996   1HD1  LEU 111          1HD1      LEU 111  23.739   3.070   4.556
 1997   2HD1  LEU 111          2HD1      LEU 111  23.928   2.902   2.811
 1998   3HD1  LEU 111          3HD1      LEU 111  23.258   1.576   3.756
 1999   1HD2  LEU 111          1HD2      LEU 111  20.859   3.071   5.324
 2000   2HD2  LEU 111          2HD2      LEU 111  20.737   4.649   4.546
 2001   3HD2  LEU 111          3HD2      LEU 111  22.236   4.172   5.344
 2002    H    SER 112           H        SER 112  24.166   4.974   4.771
 2003    HA   SER 112           HA       SER 112  26.452   4.529   5.091
 2004   1HB   SER 112          1HB       SER 112  25.714   3.503   2.417
 2005   2HB   SER 112          2HB       SER 112  27.437   3.799   2.626
 2006    HG   SER 112           HG       SER 112  27.497   2.064   3.770
 2007    H    ARG 113           H        ARG 113  28.044   6.013   5.317
 2008    HA   ARG 113           HA       ARG 113  28.064   8.447   3.721
 2009   1HB   ARG 113          1HB       ARG 113  29.170   7.357   6.187
 2010   2HB   ARG 113          2HB       ARG 113  30.376   8.295   5.305
 2011   1HG   ARG 113          1HG       ARG 113  28.742  10.168   5.128
 2012   2HG   ARG 113          2HG       ARG 113  27.601   9.233   6.094
 2013   1HD   ARG 113          1HD       ARG 113  30.388   9.751   7.130
 2014   2HD   ARG 113          2HD       ARG 113  29.110  10.964   7.333
 2015    HE   ARG 113           HE       ARG 113  29.230   8.357   8.659
 2016   1HH1  ARG 113          1HH1      ARG 113  27.169  10.905   7.486
 2017   2HH1  ARG 113          2HH1      ARG 113  25.881  10.512   8.571
 2018   1HH2  ARG 113          1HH2      ARG 113  27.544   7.867  10.057
 2019   2HH2  ARG 113          2HH2      ARG 113  26.089   8.806  10.016
 2020    HA   PRO 114           HA       PRO 114  32.241   6.735   2.207
 2021   1HB   PRO 114          1HB       PRO 114  32.923   4.155   2.840
 2022   2HB   PRO 114          2HB       PRO 114  33.304   5.536   3.884
 2023   1HG   PRO 114          1HG       PRO 114  31.160   3.496   4.137
 2024   2HG   PRO 114          2HG       PRO 114  32.083   4.330   5.395
 2025   1HD   PRO 114          1HD       PRO 114  29.502   4.943   4.623
 2026   2HD   PRO 114          2HD       PRO 114  30.588   6.041   5.495
 2027    H    ARG 115           H        ARG 115  29.349   4.871   2.122
 2028    HA   ARG 115           HA       ARG 115  28.340   3.634   0.388
 2029   1HB   ARG 115          1HB       ARG 115  30.383   5.194  -1.231
 2030   2HB   ARG 115          2HB       ARG 115  28.869   4.525  -1.832
 2031   1HG   ARG 115          1HG       ARG 115  29.222   6.769   0.174
 2032   2HG   ARG 115          2HG       ARG 115  28.489   6.864  -1.424
 2033   1HD   ARG 115          1HD       ARG 115  27.383   5.308   0.941
 2034   2HD   ARG 115          2HD       ARG 115  26.709   6.802   0.261
 2035    HE   ARG 115           HE       ARG 115  26.492   4.131  -0.910
 2036   1HH1  ARG 115          1HH1      ARG 115  26.600   7.551  -1.545
 2037   2HH1  ARG 115          2HH1      ARG 115  25.749   7.412  -3.044
 2038   1HH2  ARG 115          1HH2      ARG 115  25.390   3.974  -2.859
 2039   2HH2  ARG 115          2HH2      ARG 115  25.068   5.402  -3.785
 2040    H    LEU 116           H        LEU 116  29.675   2.769  -2.064
 2041    HA   LEU 116           HA       LEU 116  31.575   0.751  -0.915
 2042   1HB   LEU 116          1HB       LEU 116  29.226   0.611  -2.780
 2043   2HB   LEU 116          2HB       LEU 116  30.534  -0.552  -2.998
 2044    HG   LEU 116           HG       LEU 116  29.041  -0.060  -0.402
 2045   1HD1  LEU 116          1HD1      LEU 116  27.498  -1.446  -1.293
 2046   2HD1  LEU 116          2HD1      LEU 116  28.725  -2.712  -1.246
 2047   3HD1  LEU 116          3HD1      LEU 116  28.504  -1.751  -2.709
 2048   1HD2  LEU 116          1HD2      LEU 116  30.307  -2.385  -0.024
 2049   2HD2  LEU 116          2HD2      LEU 116  31.084  -0.844   0.337
 2050   3HD2  LEU 116          3HD2      LEU 116  31.432  -1.673  -1.180
 2051    H    THR 117           H        THR 117  32.826   2.968  -1.779
 2052    HA   THR 117           HA       THR 117  33.814   2.237  -4.515
 2053    HB   THR 117           HB       THR 117  33.566   5.005  -3.283
 2054    HG1  THR 117           HG1      THR 117  31.609   5.039  -4.019
 2055   1HG2  THR 117          1HG2      THR 117  34.841   5.619  -5.035
 2056   2HG2  THR 117          2HG2      THR 117  33.582   5.026  -6.119
 2057   3HG2  THR 117          3HG2      THR 117  34.890   3.954  -5.615
 2058    H    GLN 118           H        GLN 118  35.908   1.561  -4.337
 2059    HA   GLN 118           HA       GLN 118  38.126   1.376  -3.547
 2060   1HB   GLN 118          1HB       GLN 118  37.317   4.146  -3.788
 2061   2HB   GLN 118          2HB       GLN 118  38.483   3.979  -2.475
 2062   1HG   GLN 118          1HG       GLN 118  39.741   2.454  -4.256
 2063   2HG   GLN 118          2HG       GLN 118  38.823   3.435  -5.398
 2064   1HE2  GLN 118          1HE2      GLN 118  41.795   3.345  -4.012
 2065   2HE2  GLN 118          2HE2      GLN 118  42.134   5.005  -3.907
 2066    H    ASN 119           H        ASN 119  39.478   2.239  -1.399
 2067    HA   ASN 119           HA       ASN 119  37.712   1.807   0.980
 2068   1HB   ASN 119          1HB       ASN 119  40.068   0.265  -0.054
 2069   2HB   ASN 119          2HB       ASN 119  39.874   0.400   1.694
 2070   1HD2  ASN 119          1HD2      ASN 119  39.575  -2.144   0.893
 2071   2HD2  ASN 119          2HD2      ASN 119  37.945  -2.605   0.780
 2072   1H    GLY 201          1H        GLY 201  29.434  32.986  12.282
 2073   2H    GLY 201          2H        GLY 201  28.033  33.656  11.595
 2074   3H    GLY 201          3H        GLY 201  29.503  33.708  10.746
 2075   1HA   GLY 201          1HA       GLY 201  27.799  31.961  10.049
 2076   2HA   GLY 201          2HA       GLY 201  29.474  31.454  10.260
 2077    H    LYS 202           H        LYS 202  26.654  30.181  10.734
 2078    HA   LYS 202           HA       LYS 202  27.465  28.488  12.936
 2079   1HB   LYS 202          1HB       LYS 202  26.104  31.001  13.463
 2080   2HB   LYS 202          2HB       LYS 202  25.119  29.645  14.013
 2081   1HG   LYS 202          1HG       LYS 202  27.558  28.851  14.903
 2082   2HG   LYS 202          2HG       LYS 202  27.748  30.602  15.004
 2083   1HD   LYS 202          1HD       LYS 202  26.303  30.764  16.745
 2084   2HD   LYS 202          2HD       LYS 202  25.152  29.654  16.001
 2085   1HE   LYS 202          1HE       LYS 202  27.733  28.573  17.119
 2086   2HE   LYS 202          2HE       LYS 202  26.371  28.910  18.206
 2087   1HZ   LYS 202          1HZ       LYS 202  26.158  26.681  17.352
 2088   2HZ   LYS 202          2HZ       LYS 202  26.322  27.226  15.752
 2089   3HZ   LYS 202          3HZ       LYS 202  24.945  27.644  16.654
 2090    H    ALA 203           H        ALA 203  24.268  29.787  11.975
 2091    HA   ALA 203           HA       ALA 203  23.498  26.997  11.184
 2092   1HB   ALA 203          1HB       ALA 203  21.163  27.964  11.710
 2093   2HB   ALA 203          2HB       ALA 203  22.016  29.348  12.394
 2094   3HB   ALA 203          3HB       ALA 203  22.245  27.742  13.085
 2095    HA   PRO 204           HA       PRO 204  23.495  29.410   7.273
 2096   1HB   PRO 204          1HB       PRO 204  23.685  27.111   5.711
 2097   2HB   PRO 204          2HB       PRO 204  25.073  28.044   6.296
 2098   1HG   PRO 204          1HG       PRO 204  23.898  25.525   7.347
 2099   2HG   PRO 204          2HG       PRO 204  25.589  26.036   7.271
 2100   1HD   PRO 204          1HD       PRO 204  24.128  26.083   9.557
 2101   2HD   PRO 204          2HD       PRO 204  25.448  27.226   9.232
 2102    H    ARG 205           H        ARG 205  21.648  29.809   6.050
 2103    HA   ARG 205           HA       ARG 205  19.258  28.151   6.654
 2104   1HB   ARG 205          1HB       ARG 205  19.239  30.620   6.924
 2105   2HB   ARG 205          2HB       ARG 205  19.640  30.806   5.217
 2106   1HG   ARG 205          1HG       ARG 205  17.546  29.609   4.618
 2107   2HG   ARG 205          2HG       ARG 205  17.140  29.495   6.330
 2108   1HD   ARG 205          1HD       ARG 205  17.244  32.017   6.449
 2109   2HD   ARG 205          2HD       ARG 205  17.427  32.032   4.684
 2110    HE   ARG 205           HE       ARG 205  15.239  30.343   5.243
 2111   1HH1  ARG 205          1HH1      ARG 205  16.114  33.680   5.705
 2112   2HH1  ARG 205          2HH1      ARG 205  14.478  34.234   5.628
 2113   1HH2  ARG 205          1HH2      ARG 205  13.124  31.086   5.145
 2114   2HH2  ARG 205          2HH2      ARG 205  12.795  32.778   5.313
 2115    H    LYS 206           H        LYS 206  20.327  29.838   3.677
 2116    HA   LYS 206           HA       LYS 206  20.206  29.144   1.422
 2117   1HB   LYS 206          1HB       LYS 206  21.068  26.783   3.072
 2118   2HB   LYS 206          2HB       LYS 206  20.776  26.547   1.348
 2119   1HG   LYS 206          1HG       LYS 206  22.659  27.670   0.770
 2120   2HG   LYS 206          2HG       LYS 206  22.351  28.955   1.937
 2121   1HD   LYS 206          1HD       LYS 206  24.350  27.884   2.682
 2122   2HD   LYS 206          2HD       LYS 206  23.073  27.285   3.741
 2123   1HE   LYS 206          1HE       LYS 206  23.272  25.631   1.360
 2124   2HE   LYS 206          2HE       LYS 206  24.829  25.715   2.206
 2125   1HZ   LYS 206          1HZ       LYS 206  23.552  24.023   3.261
 2126   2HZ   LYS 206          2HZ       LYS 206  22.177  25.016   3.352
 2127   3HZ   LYS 206          3HZ       LYS 206  23.539  25.361   4.306
 2128    H    GLN 207           H        GLN 207  19.184  27.013   0.126
 2129    HA   GLN 207           HA       GLN 207  16.362  27.299   0.293
 2130   1HB   GLN 207          1HB       GLN 207  16.398  25.345  -1.242
 2131   2HB   GLN 207          2HB       GLN 207  17.656  26.505  -1.668
 2132   1HG   GLN 207          1HG       GLN 207  19.322  25.164  -0.452
 2133   2HG   GLN 207          2HG       GLN 207  18.068  24.018   0.022
 2134   1HE2  GLN 207          1HE2      GLN 207  18.866  25.610  -3.126
 2135   2HE2  GLN 207          2HE2      GLN 207  18.933  24.160  -4.005
 2136    H    LEU 208           H        LEU 208  15.213  24.809   0.362
 2137    HA   LEU 208           HA       LEU 208  15.997  23.544   2.946
 2138   1HB   LEU 208          1HB       LEU 208  13.668  25.255   2.340
 2139   2HB   LEU 208          2HB       LEU 208  13.246  23.732   3.122
 2140    HG   LEU 208           HG       LEU 208  15.590  25.112   4.280
 2141   1HD1  LEU 208          1HD1      LEU 208  14.623  27.070   4.875
 2142   2HD1  LEU 208          2HD1      LEU 208  13.104  26.278   5.294
 2143   3HD1  LEU 208          3HD1      LEU 208  13.430  26.730   3.621
 2144   1HD2  LEU 208          1HD2      LEU 208  14.630  24.320   6.327
 2145   2HD2  LEU 208          2HD2      LEU 208  14.383  23.037   5.142
 2146   3HD2  LEU 208          3HD2      LEU 208  13.048  24.103   5.578
 2147    H    ALA 209           H        ALA 209  16.579  21.753   1.465
 2148    HA   ALA 209           HA       ALA 209  16.112  19.732   0.332
 2149   1HB   ALA 209          1HB       ALA 209  14.473  18.505   1.461
 2150   2HB   ALA 209          2HB       ALA 209  13.361  19.872   1.534
 2151   3HB   ALA 209          3HB       ALA 209  14.751  19.807   2.618
 2152    H    THR 210           H        THR 210  16.012  20.591  -1.829
 2153    HA   THR 210           HA       THR 210  13.629  21.837  -2.906
 2154    HB   THR 210           HB       THR 210  15.925  20.421  -4.309
 2155    HG1  THR 210           HG1      THR 210  15.678  22.995  -3.173
 2156   1HG2  THR 210          1HG2      THR 210  15.381  22.436  -5.920
 2157   2HG2  THR 210          2HG2      THR 210  13.811  22.396  -5.117
 2158   3HG2  THR 210          3HG2      THR 210  14.396  20.974  -5.982
 2159    H    LYS 211           H        LYS 211  15.020  18.547  -3.189
 2160    HA   LYS 211           HA       LYS 211  12.307  17.602  -4.057
 2161   1HB   LYS 211          1HB       LYS 211  14.226  17.779  -5.787
 2162   2HB   LYS 211          2HB       LYS 211  14.963  16.430  -4.921
 2163   1HG   LYS 211          1HG       LYS 211  13.329  14.935  -5.581
 2164   2HG   LYS 211          2HG       LYS 211  12.087  16.182  -5.695
 2165   1HD   LYS 211          1HD       LYS 211  12.777  16.863  -7.816
 2166   2HD   LYS 211          2HD       LYS 211  14.418  16.260  -7.585
 2167   1HE   LYS 211          1HE       LYS 211  12.531  14.070  -7.385
 2168   2HE   LYS 211          2HE       LYS 211  12.315  14.934  -8.919
 2169   1HZ   LYS 211          1HZ       LYS 211  14.118  13.212  -8.936
 2170   2HZ   LYS 211          2HZ       LYS 211  14.969  14.170  -7.820
 2171   3HZ   LYS 211          3HZ       LYS 211  14.631  14.772  -9.372
 2172    H    ALA 212           H        ALA 212  11.506  16.028  -2.725
 2173    HA   ALA 212           HA       ALA 212  12.784  15.101  -0.380
 2174   1HB   ALA 212          1HB       ALA 212  10.768  14.029  -0.120
 2175   2HB   ALA 212          2HB       ALA 212  10.851  13.288  -1.718
 2176   3HB   ALA 212          3HB       ALA 212  10.310  14.957  -1.547
 2177    H    ALA 213           H        ALA 213  13.611  12.921   0.101
 2178    HA   ALA 213           HA       ALA 213  15.431  11.939  -1.958
 2179   1HB   ALA 213          1HB       ALA 213  15.742  12.110   0.596
 2180   2HB   ALA 213          2HB       ALA 213  16.266  10.601  -0.152
 2181   3HB   ALA 213          3HB       ALA 213  14.726  10.673   0.705
 2182    H    ARG 214           H        ARG 214  14.495  10.770  -3.618
 2183    HA   ARG 214           HA       ARG 214  12.408   8.744  -2.915
 2184   1HB   ARG 214          1HB       ARG 214  12.687  10.735  -4.915
 2185   2HB   ARG 214          2HB       ARG 214  12.857   9.188  -5.744
 2186   1HG   ARG 214          1HG       ARG 214  10.629   8.886  -5.620
 2187   2HG   ARG 214          2HG       ARG 214  10.725   8.935  -3.860
 2188   1HD   ARG 214          1HD       ARG 214   9.231  10.713  -4.447
 2189   2HD   ARG 214          2HD       ARG 214  10.780  11.517  -4.131
 2190    HE   ARG 214           HE       ARG 214  10.493  10.634  -6.901
 2191   1HH1  ARG 214          1HH1      ARG 214   9.817  13.164  -4.607
 2192   2HH1  ARG 214          2HH1      ARG 214   9.710  14.389  -5.823
 2193   1HH2  ARG 214          1HH2      ARG 214  10.349  12.243  -8.461
 2194   2HH2  ARG 214          2HH2      ARG 214  10.009  13.874  -7.989
 2195   1HN   MLZ 215          1HN       MLZ 215  12.570   6.659  -4.156
 2196    HA   MLZ 215           HA       MLZ 215  15.325   5.637  -4.067
 2197   1HB   MLZ 215          1HB       MLZ 215  12.526   4.594  -4.352
 2198   2HB   MLZ 215          2HB       MLZ 215  13.857   3.546  -4.843
 2199   1HG   MLZ 215          1HG       MLZ 215  14.284   4.894  -2.259
 2200   2HG   MLZ 215          2HG       MLZ 215  14.527   3.203  -2.700
 2201   1HD   MLZ 215          1HD       MLZ 215  11.907   4.551  -1.991
 2202   2HD   MLZ 215          2HD       MLZ 215  12.018   2.919  -2.652
 2203   1HE   MLZ 215          1HE       MLZ 215  13.704   3.588  -0.262
 2204   2HE   MLZ 215          2HE       MLZ 215  12.934   2.052  -0.703
 2205    HZ   MLZ 215           HZ       MLZ 215  10.852   2.822  -0.055
 2206   1HCM  MLZ 215          1HCM      MLZ 215  12.997   3.755   1.719
 2207   2HCM  MLZ 215          2HCM      MLZ 215  11.845   2.442   1.955
 2208   3HCM  MLZ 215          3HCM      MLZ 215  11.322   4.116   2.134
 2209    H    SER 216           H        SER 216  16.578   5.142  -5.851
 2210    HA   SER 216           HA       SER 216  17.256   5.045  -8.109
 2211   1HB   SER 216          1HB       SER 216  14.869   6.864  -8.556
 2212   2HB   SER 216          2HB       SER 216  16.361   7.432  -7.808
 2213    HG   SER 216           HG       SER 216  16.034   7.552 -10.238
 2214    H    ALA 217           H        ALA 217  16.492   4.274 -10.296
 2215    HA   ALA 217           HA       ALA 217  14.153   2.431  -9.970
 2216   1HB   ALA 217          1HB       ALA 217  13.122   3.338 -11.824
 2217   2HB   ALA 217          2HB       ALA 217  14.653   3.695 -12.623
 2218   3HB   ALA 217          3HB       ALA 217  14.049   4.764 -11.357
 2219    HA   PRO 218           HA       PRO 218  16.833  -0.685 -11.523
 2220   1HB   PRO 218          1HB       PRO 218  14.599  -1.609 -13.259
 2221   2HB   PRO 218          2HB       PRO 218  15.476  -2.490 -11.996
 2222   1HG   PRO 218          1HG       PRO 218  12.962  -1.607 -11.656
 2223   2HG   PRO 218          2HG       PRO 218  14.126  -1.698 -10.327
 2224   1HD   PRO 218          1HD       PRO 218  13.134   0.676 -11.815
 2225   2HD   PRO 218          2HD       PRO 218  13.634   0.528 -10.117
 2226    H    ALA 219           H        ALA 219  14.838   1.108 -13.845
 2227    HA   ALA 219           HA       ALA 219  16.988   0.737 -15.902
 2228   1HB   ALA 219          1HB       ALA 219  14.960  -0.101 -16.762
 2229   2HB   ALA 219          2HB       ALA 219  14.962   1.554 -17.370
 2230   3HB   ALA 219          3HB       ALA 219  13.999   1.137 -15.953
 2231    H    THR 220           H        THR 220  18.301   2.518 -15.191
 2232    HA   THR 220           HA       THR 220  17.004   5.216 -15.287
 2233    HB   THR 220           HB       THR 220  19.118   5.843 -14.028
 2234    HG1  THR 220           HG1      THR 220  20.632   4.415 -14.098
 2235   1HG2  THR 220          1HG2      THR 220  17.438   5.536 -12.493
 2236   2HG2  THR 220          2HG2      THR 220  18.430   4.150 -12.042
 2237   3HG2  THR 220          3HG2      THR 220  17.037   3.929 -13.100
 2238    H    GLY 221           H        GLY 221  17.529   4.015 -17.776
 2239   1HA   GLY 221          1HA       GLY 221  18.525   5.597 -19.553
 2240   2HA   GLY 221          2HA       GLY 221  20.039   5.362 -18.679
 2241   1HN   SAH 301          1HN       SAH 301 -12.060  -0.176  -8.287
 2242   2HN   SAH 301          2HN       SAH 301 -10.539   0.537  -8.548
 2243    HA   SAH 301           HA       SAH 301 -12.871   2.089  -7.562
 2244   1HB   SAH 301          1HB       SAH 301 -11.805  -0.066  -6.295
 2245   2HB   SAH 301          2HB       SAH 301 -10.703   1.195  -5.741
 2246   1HG   SAH 301          1HG       SAH 301 -12.640   0.956  -4.213
 2247   2HG   SAH 301          2HG       SAH 301 -13.731   1.306  -5.554
 2248   1H5*  SAH 301          1H5*      SAH 301 -14.879   2.811  -4.699
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.467   4.369  -3.984
 2250    H4*  SAH 301           H4*      SAH 301 -13.784   4.860  -6.488
 2251    H3*  SAH 301           H3*      SAH 301 -15.980   5.421  -4.718
 2252   *HO3  SAH 301          *HO3      SAH 301 -16.007   7.330  -5.959
 2253    H2*  SAH 301           H2*      SAH 301 -17.772   4.772  -5.889
 2254   *HO2  SAH 301          *HO2      SAH 301 -17.225   5.639  -8.382
 2255    H1*  SAH 301           H1*      SAH 301 -16.649   3.860  -8.374
 2256    H8   SAH 301           H8       SAH 301 -16.132   1.289  -5.809
 2257   1HN6  SAH 301          1HN6      SAH 301 -21.300  -1.130  -7.784
 2258   2HN6  SAH 301          2HN6      SAH 301 -20.499  -1.063  -6.229
 2259    H2   SAH 301           H2       SAH 301 -21.345   3.302  -8.926
 2260   1HN   SAH 302          1HN       SAH 302  12.544  -0.132   8.334
 2261   2HN   SAH 302          2HN       SAH 302  11.033   0.566   8.674
 2262    HA   SAH 302           HA       SAH 302  13.304   2.138   7.584
 2263   1HB   SAH 302          1HB       SAH 302  12.187  -0.019   6.359
 2264   2HB   SAH 302          2HB       SAH 302  11.048   1.236   5.867
 2265   1HG   SAH 302          1HG       SAH 302  12.906   1.016   4.240
 2266   2HG   SAH 302          2HG       SAH 302  14.061   1.370   5.524
 2267   1H5*  SAH 302          1H5*      SAH 302  15.152   2.888   4.618
 2268   2H5*  SAH 302          2H5*      SAH 302  14.692   4.444   3.929
 2269    H4*  SAH 302           H4*      SAH 302  14.132   4.922   6.467
 2270    H3*  SAH 302           H3*      SAH 302  16.231   5.506   4.589
 2271   *HO3  SAH 302          *HO3      SAH 302  16.304   7.412   5.832
 2272    H2*  SAH 302           H2*      SAH 302  18.086   4.869   5.666
 2273   *HO2  SAH 302          *HO2      SAH 302  17.659   5.725   8.186
 2274    H1*  SAH 302           H1*      SAH 302  17.098   3.941   8.202
 2275    H8   SAH 302           H8       SAH 302  16.472   1.372   5.659
 2276   1HN6  SAH 302          1HN6      SAH 302  21.754  -1.008   7.360
 2277   2HN6  SAH 302          2HN6      SAH 302  20.875  -0.943   5.849
 2278    H2   SAH 302           H2       SAH 302  21.820   3.422   8.512
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1   0.511 -12.194  -7.927
    2   2H    MET   1          2H        MET   1  -0.210 -11.342  -6.648
    3   3H    MET   1          3H        MET   1   0.418 -10.499  -7.982
    4    HA   MET   1           HA       MET   1  -2.096 -10.784  -7.902
    5   1HB   MET   1          1HB       MET   1  -0.053 -11.050  -9.983
    6   2HB   MET   1          2HB       MET   1  -1.594 -11.738 -10.476
    7   1HG   MET   1          1HG       MET   1  -2.279  -9.640 -10.933
    8   2HG   MET   1          2HG       MET   1  -2.257  -9.343  -9.199
    9   1HE   MET   1          1HE       MET   1   0.136  -6.743  -8.669
   10   2HE   MET   1          2HE       MET   1  -0.681  -8.122  -7.930
   11   3HE   MET   1          3HE       MET   1  -1.594  -6.984  -8.918
   12    H    PHE   2           H        PHE   2  -3.804 -12.289  -8.286
   13    HA   PHE   2           HA       PHE   2  -4.850 -14.398  -8.104
   14   1HB   PHE   2          1HB       PHE   2  -3.938 -14.568 -10.350
   15   2HB   PHE   2          2HB       PHE   2  -2.362 -14.980  -9.716
   16    HD1  PHE   2           HD1      PHE   2  -1.920 -17.193 -10.395
   17    HD2  PHE   2           HD2      PHE   2  -5.748 -16.195  -8.722
   18    HE1  PHE   2           HE1      PHE   2  -2.546 -19.592 -10.396
   19    HE2  PHE   2           HE2      PHE   2  -6.374 -18.594  -8.723
   20    HZ   PHE   2           HZ       PHE   2  -4.773 -20.293  -9.560
   21    H    ASN   3           H        ASN   3  -4.075 -14.073  -5.712
   22    HA   ASN   3           HA       ASN   3  -1.937 -15.942  -4.887
   23   1HB   ASN   3          1HB       ASN   3  -3.816 -14.126  -3.337
   24   2HB   ASN   3          2HB       ASN   3  -2.393 -14.930  -2.677
   25   1HD2  ASN   3          1HD2      ASN   3  -0.314 -14.014  -3.148
   26   2HD2  ASN   3          2HD2      ASN   3  -0.121 -12.561  -4.004
   27    H    ASP   4           H        ASP   4  -3.797 -17.481  -6.061
   28    HA   ASP   4           HA       ASP   4  -5.291 -19.261  -5.717
   29   1HB   ASP   4          1HB       ASP   4  -3.425 -19.973  -4.381
   30   2HB   ASP   4          2HB       ASP   4  -3.957 -18.953  -3.059
   31    H    ARG   5           H        ARG   5  -5.611 -18.211  -2.371
   32    HA   ARG   5           HA       ARG   5  -8.395 -18.410  -2.220
   33   1HB   ARG   5          1HB       ARG   5  -6.516 -16.479  -0.808
   34   2HB   ARG   5          2HB       ARG   5  -8.109 -16.960  -0.225
   35   1HG   ARG   5          1HG       ARG   5  -6.840 -19.383  -0.745
   36   2HG   ARG   5          2HG       ARG   5  -5.564 -18.384  -0.048
   37   1HD   ARG   5          1HD       ARG   5  -6.553 -18.370   2.015
   38   2HD   ARG   5          2HD       ARG   5  -8.179 -18.180   1.331
   39    HE   ARG   5           HE       ARG   5  -7.470 -20.734   0.564
   40   1HH1  ARG   5          1HH1      ARG   5  -7.498 -19.040   3.605
   41   2HH1  ARG   5          2HH1      ARG   5  -7.788 -20.475   4.526
   42   1HH2  ARG   5          1HH2      ARG   5  -7.847 -22.582   1.782
   43   2HH2  ARG   5          2HH2      ARG   5  -7.984 -22.465   3.505
   44    H    VAL   6           H        VAL   6  -6.448 -15.654  -3.357
   45    HA   VAL   6           HA       VAL   6  -8.929 -14.465  -4.484
   46    HB   VAL   6           HB       VAL   6  -7.104 -13.124  -2.454
   47   1HG1  VAL   6          1HG1      VAL   6  -9.236 -11.454  -2.781
   48   2HG1  VAL   6          2HG1      VAL   6  -9.048 -12.070  -4.422
   49   3HG1  VAL   6          3HG1      VAL   6  -7.700 -11.258  -3.625
   50   1HG2  VAL   6          1HG2      VAL   6  -8.623 -14.548  -1.300
   51   2HG2  VAL   6          2HG2      VAL   6  -9.952 -14.136  -2.384
   52   3HG2  VAL   6          3HG2      VAL   6  -9.356 -12.945  -1.228
   53    H    ILE   7           H        ILE   7  -8.512 -13.355  -6.368
   54    HA   ILE   7           HA       ILE   7  -5.631 -12.941  -7.105
   55    HB   ILE   7           HB       ILE   7  -6.877 -14.636  -8.410
   56   1HG1  ILE   7          1HG1      ILE   7  -6.659 -12.189 -10.161
   57   2HG1  ILE   7          2HG1      ILE   7  -5.220 -12.931  -9.463
   58   1HG2  ILE   7          1HG2      ILE   7  -8.940 -12.611  -8.238
   59   2HG2  ILE   7          2HG2      ILE   7  -9.078 -14.305  -8.709
   60   3HG2  ILE   7          3HG2      ILE   7  -8.665 -13.086  -9.914
   61   1HD1  ILE   7          1HD1      ILE   7  -5.620 -13.862 -11.688
   62   2HD1  ILE   7          2HD1      ILE   7  -7.268 -14.302 -11.233
   63   3HD1  ILE   7          3HD1      ILE   7  -5.893 -15.108 -10.470
   64    H    VAL   8           H        VAL   8  -5.256 -11.025  -8.532
   65    HA   VAL   8           HA       VAL   8  -7.079  -8.776  -7.779
   66    HB   VAL   8           HB       VAL   8  -4.174  -8.922  -8.667
   67   1HG1  VAL   8          1HG1      VAL   8  -5.904  -6.562  -7.873
   68   2HG1  VAL   8          2HG1      VAL   8  -5.126  -6.826  -9.434
   69   3HG1  VAL   8          3HG1      VAL   8  -4.147  -6.495  -8.005
   70   1HG2  VAL   8          1HG2      VAL   8  -5.137  -7.915  -6.011
   71   2HG2  VAL   8          2HG2      VAL   8  -3.596  -8.664  -6.428
   72   3HG2  VAL   8          3HG2      VAL   8  -5.047  -9.655  -6.280
   73    H    LYS   9           H        LYS   9  -8.409  -8.094  -9.401
   74    HA   LYS   9           HA       LYS   9  -7.490  -8.449 -12.229
   75   1HB   LYS   9          1HB       LYS   9 -10.259  -8.361 -10.991
   76   2HB   LYS   9          2HB       LYS   9  -9.933  -8.583 -12.705
   77   1HG   LYS   9          1HG       LYS   9  -8.315 -10.459 -11.332
   78   2HG   LYS   9          2HG       LYS   9  -9.915 -10.546 -10.598
   79   1HD   LYS   9          1HD       LYS   9 -10.912 -10.757 -12.860
   80   2HD   LYS   9          2HD       LYS   9  -9.292 -10.753 -13.556
   81   1HE   LYS   9          1HE       LYS   9  -8.747 -12.773 -12.148
   82   2HE   LYS   9          2HE       LYS   9 -10.451 -12.828 -11.662
   83   1HZ   LYS   9          1HZ       LYS   9  -9.391 -12.916 -14.442
   84   2HZ   LYS   9          2HZ       LYS   9 -11.039 -12.818 -14.045
   85   3HZ   LYS   9          3HZ       LYS   9 -10.141 -14.193 -13.611
   86    H    LYS  10           H        LYS  10  -8.138  -4.984 -12.986
   87    HA   LYS  10           HA       LYS  10  -7.372  -6.068 -14.908
   88   1HB   LYS  10          1HB       LYS  10  -6.025  -7.175 -12.533
   89   2HB   LYS  10          2HB       LYS  10  -5.915  -8.203 -13.962
   90   1HG   LYS  10          1HG       LYS  10  -4.753  -6.602 -15.188
   91   2HG   LYS  10          2HG       LYS  10  -5.404  -5.260 -14.245
   92   1HD   LYS  10          1HD       LYS  10  -3.992  -5.791 -12.371
   93   2HD   LYS  10          2HD       LYS  10  -3.498  -7.319 -13.101
   94   1HE   LYS  10          1HE       LYS  10  -2.436  -6.033 -14.973
   95   2HE   LYS  10          2HE       LYS  10  -2.838  -4.531 -14.119
   96   1HZ   LYS  10          1HZ       LYS  10  -1.584  -5.237 -12.236
   97   2HZ   LYS  10          2HZ       LYS  10  -0.585  -5.447 -13.593
   98   3HZ   LYS  10          3HZ       LYS  10  -1.348  -6.789 -12.885
   99    H    SER  11           H        SER  11  -9.876  -6.695 -14.888
  100    HA   SER  11           HA       SER  11 -10.080  -9.687 -14.970
  101   1HB   SER  11          1HB       SER  11 -12.639  -8.848 -14.877
  102   2HB   SER  11          2HB       SER  11 -11.676  -9.040 -13.414
  103    HG   SER  11           HG       SER  11 -12.789  -6.973 -13.692
  104    HA   PRO  12           HA       PRO  12 -11.121  -9.744 -19.228
  105   1HB   PRO  12          1HB       PRO  12 -13.911 -10.633 -18.696
  106   2HB   PRO  12          2HB       PRO  12 -12.634 -11.442 -19.621
  107   1HG   PRO  12          1HG       PRO  12 -13.411 -12.290 -17.194
  108   2HG   PRO  12          2HG       PRO  12 -11.745 -12.443 -17.765
  109   1HD   PRO  12          1HD       PRO  12 -12.904 -10.546 -15.792
  110   2HD   PRO  12          2HD       PRO  12 -11.281 -11.264 -15.857
  111    H    LEU  13           H        LEU  13 -13.557  -8.298 -17.108
  112    HA   LEU  13           HA       LEU  13 -14.785  -6.720 -19.253
  113   1HB   LEU  13          1HB       LEU  13 -15.220  -7.437 -16.474
  114   2HB   LEU  13          2HB       LEU  13 -15.422  -5.698 -16.689
  115    HG   LEU  13           HG       LEU  13 -16.679  -7.580 -18.664
  116   1HD1  LEU  13          1HD1      LEU  13 -18.639  -7.835 -17.298
  117   2HD1  LEU  13          2HD1      LEU  13 -18.008  -6.727 -16.080
  118   3HD1  LEU  13          3HD1      LEU  13 -17.265  -8.312 -16.300
  119   1HD2  LEU  13          1HD2      LEU  13 -17.600  -4.934 -17.510
  120   2HD2  LEU  13          2HD2      LEU  13 -18.233  -5.751 -18.939
  121   3HD2  LEU  13          3HD2      LEU  13 -16.606  -5.072 -18.960
  122    H    GLY  14           H        GLY  14 -12.431  -6.179 -16.644
  123   1HA   GLY  14          1HA       GLY  14 -10.632  -4.503 -17.269
  124   2HA   GLY  14          2HA       GLY  14 -11.953  -3.450 -17.776
  125    H    GLY  15           H        GLY  15 -10.910  -1.960 -16.147
  126   1HA   GLY  15          1HA       GLY  15 -11.193  -0.840 -14.092
  127   2HA   GLY  15          2HA       GLY  15 -12.390  -2.059 -13.652
  128    H    TYR  16           H        TYR  16 -10.956  -1.539 -11.562
  129    HA   TYR  16           HA       TYR  16  -8.844  -3.668 -11.454
  130   1HB   TYR  16          1HB       TYR  16  -8.663  -0.839 -11.140
  131   2HB   TYR  16          2HB       TYR  16  -8.385  -1.558  -9.556
  132    HD1  TYR  16           HD1      TYR  16  -6.598  -3.294  -9.269
  133    HD2  TYR  16           HD2      TYR  16  -7.069  -1.065 -12.911
  134    HE1  TYR  16           HE1      TYR  16  -4.311  -3.950  -9.967
  135    HE2  TYR  16           HE2      TYR  16  -4.782  -1.721 -13.609
  136    HH   TYR  16           HH       TYR  16  -2.509  -2.605 -11.854
  137    H    GLY  17           H        GLY  17 -10.907  -4.838 -10.696
  138   1HA   GLY  17          1HA       GLY  17 -11.452  -4.277  -7.809
  139   2HA   GLY  17          2HA       GLY  17 -12.571  -5.127  -8.876
  140    H    VAL  18           H        VAL  18 -12.269  -6.711  -6.890
  141    HA   VAL  18           HA       VAL  18  -9.856  -8.426  -7.403
  142    HB   VAL  18           HB       VAL  18 -11.661  -8.032  -4.996
  143   1HG1  VAL  18          1HG1      VAL  18  -9.642  -9.392  -3.954
  144   2HG1  VAL  18          2HG1      VAL  18  -9.484 -10.004  -5.601
  145   3HG1  VAL  18          3HG1      VAL  18 -10.988 -10.243  -4.712
  146   1HG2  VAL  18          1HG2      VAL  18 -10.172  -6.486  -4.312
  147   2HG2  VAL  18          2HG2      VAL  18  -9.511  -6.529  -5.947
  148   3HG2  VAL  18          3HG2      VAL  18  -8.809  -7.542  -4.685
  149    H    PHE  19           H        PHE  19 -10.213 -10.769  -7.298
  150    HA   PHE  19           HA       PHE  19 -13.022 -11.556  -8.000
  151   1HB   PHE  19          1HB       PHE  19 -10.419 -11.888  -9.298
  152   2HB   PHE  19          2HB       PHE  19 -11.260 -13.424  -9.100
  153    HD1  PHE  19           HD1      PHE  19 -12.754 -14.055 -10.767
  154    HD2  PHE  19           HD2      PHE  19 -12.022  -9.876 -10.087
  155    HE1  PHE  19           HE1      PHE  19 -14.248 -13.484 -12.663
  156    HE2  PHE  19           HE2      PHE  19 -13.516  -9.306 -11.983
  157    HZ   PHE  19           HZ       PHE  19 -14.629 -11.110 -13.271
  158    H    ALA  20           H        ALA  20 -13.878 -13.054  -6.633
  159    HA   ALA  20           HA       ALA  20 -12.153 -14.284  -4.577
  160   1HB   ALA  20          1HB       ALA  20 -14.102 -14.226  -3.392
  161   2HB   ALA  20          2HB       ALA  20 -15.008 -14.988  -4.699
  162   3HB   ALA  20          3HB       ALA  20 -14.724 -13.247  -4.721
  163    H    ARG  21           H        ARG  21 -11.004 -15.937  -5.693
  164    HA   ARG  21           HA       ARG  21 -12.175 -17.808  -7.533
  165   1HB   ARG  21          1HB       ARG  21  -9.672 -17.227  -6.273
  166   2HB   ARG  21          2HB       ARG  21 -10.005 -18.943  -6.039
  167   1HG   ARG  21          1HG       ARG  21  -8.972 -18.961  -8.128
  168   2HG   ARG  21          2HG       ARG  21 -10.670 -18.859  -8.587
  169   1HD   ARG  21          1HD       ARG  21 -10.454 -16.711  -9.371
  170   2HD   ARG  21          2HD       ARG  21  -9.306 -16.259  -8.095
  171    HE   ARG  21           HE       ARG  21  -7.548 -16.993  -9.503
  172   1HH1  ARG  21          1HH1      ARG  21 -10.610 -18.249 -10.583
  173   2HH1  ARG  21          2HH1      ARG  21  -9.945 -18.935 -12.024
  174   1HH2  ARG  21          1HH2      ARG  21  -6.709 -17.891 -11.380
  175   2HH2  ARG  21          2HH2      ARG  21  -7.753 -18.735 -12.474
  176    H    LYS  22           H        LYS  22 -12.126 -17.577  -4.051
  177    HA   LYS  22           HA       LYS  22 -12.986 -20.365  -3.622
  178   1HB   LYS  22          1HB       LYS  22 -12.869 -17.994  -1.716
  179   2HB   LYS  22          2HB       LYS  22 -12.843 -19.697  -1.281
  180   1HG   LYS  22          1HG       LYS  22 -10.728 -19.333  -3.117
  181   2HG   LYS  22          2HG       LYS  22 -10.634 -17.998  -1.971
  182   1HD   LYS  22          1HD       LYS  22  -9.645 -19.429  -0.536
  183   2HD   LYS  22          2HD       LYS  22 -11.205 -20.236  -0.390
  184   1HE   LYS  22          1HE       LYS  22  -9.555 -20.941  -2.777
  185   2HE   LYS  22          2HE       LYS  22  -9.011 -21.559  -1.206
  186   1HZ   LYS  22          1HZ       LYS  22 -10.762 -22.915  -2.459
  187   2HZ   LYS  22          2HZ       LYS  22 -11.853 -21.687  -2.026
  188   3HZ   LYS  22          3HZ       LYS  22 -11.061 -22.583  -0.820
  189    H    SER  23           H        SER  23 -16.446 -19.551  -2.589
  190    HA   SER  23           HA       SER  23 -13.981 -21.119  -1.975
  191   1HB   SER  23          1HB       SER  23 -16.417 -22.135  -0.824
  192   2HB   SER  23          2HB       SER  23 -16.723 -21.692  -2.504
  193    HG   SER  23           HG       SER  23 -15.876 -23.867  -2.112
  194    H    PHE  24           H        PHE  24 -16.004 -18.676  -0.656
  195    HA   PHE  24           HA       PHE  24 -14.744 -19.106   2.023
  196   1HB   PHE  24          1HB       PHE  24 -15.813 -16.702   0.510
  197   2HB   PHE  24          2HB       PHE  24 -15.323 -16.615   2.201
  198    HD1  PHE  24           HD1      PHE  24 -12.976 -18.351   2.320
  199    HD2  PHE  24           HD2      PHE  24 -14.174 -15.574  -0.731
  200    HE1  PHE  24           HE1      PHE  24 -10.611 -18.098   1.621
  201    HE2  PHE  24           HE2      PHE  24 -11.807 -15.321  -1.429
  202    HZ   PHE  24           HZ       PHE  24 -10.026 -16.584  -0.253
  203    H    GLU  25           H        GLU  25 -16.048 -18.891   3.908
  204    HA   GLU  25           HA       GLU  25 -18.920 -19.507   3.493
  205   1HB   GLU  25          1HB       GLU  25 -17.041 -20.579   5.084
  206   2HB   GLU  25          2HB       GLU  25 -17.590 -19.305   6.171
  207   1HG   GLU  25          1HG       GLU  25 -19.987 -20.235   5.395
  208   2HG   GLU  25          2HG       GLU  25 -19.046 -21.709   5.171
  209    H    LYS  26           H        LYS  26 -19.683 -18.445   6.116
  210    HA   LYS  26           HA       LYS  26 -19.929 -15.574   5.355
  211   1HB   LYS  26          1HB       LYS  26 -21.913 -17.095   5.788
  212   2HB   LYS  26          2HB       LYS  26 -21.389 -17.200   7.465
  213   1HG   LYS  26          1HG       LYS  26 -21.505 -14.692   7.586
  214   2HG   LYS  26          2HG       LYS  26 -22.205 -14.696   5.967
  215   1HD   LYS  26          1HD       LYS  26 -24.190 -15.676   6.682
  216   2HD   LYS  26          2HD       LYS  26 -23.430 -16.437   8.080
  217   1HE   LYS  26          1HE       LYS  26 -23.285 -13.497   8.137
  218   2HE   LYS  26          2HE       LYS  26 -24.941 -14.132   8.195
  219   1HZ   LYS  26          1HZ       LYS  26 -22.650 -14.855   9.944
  220   2HZ   LYS  26          2HZ       LYS  26 -24.079 -15.769   9.874
  221   3HZ   LYS  26          3HZ       LYS  26 -24.128 -14.159  10.412
  222    H    GLY  27           H        GLY  27 -17.529 -15.496   6.193
  223   1HA   GLY  27          1HA       GLY  27 -16.755 -13.949   8.052
  224   2HA   GLY  27          2HA       GLY  27 -17.572 -15.057   9.154
  225    H    GLU  28           H        GLU  28 -14.972 -14.949   6.710
  226    HA   GLU  28           HA       GLU  28 -13.483 -16.943   8.375
  227   1HB   GLU  28          1HB       GLU  28 -14.719 -17.333   5.854
  228   2HB   GLU  28          2HB       GLU  28 -12.987 -17.244   5.536
  229   1HG   GLU  28          1HG       GLU  28 -13.971 -18.908   7.834
  230   2HG   GLU  28          2HG       GLU  28 -14.085 -19.551   6.196
  231    H    LEU  29           H        LEU  29 -13.436 -13.874   7.242
  232    HA   LEU  29           HA       LEU  29 -11.726 -12.281   6.949
  233   1HB   LEU  29          1HB       LEU  29 -10.888 -14.012   8.836
  234   2HB   LEU  29          2HB       LEU  29  -9.667 -14.318   7.634
  235    HG   LEU  29           HG       LEU  29 -10.298 -11.696   8.989
  236   1HD1  LEU  29          1HD1      LEU  29  -8.519 -13.729   9.585
  237   2HD1  LEU  29          2HD1      LEU  29  -8.396 -12.062  10.147
  238   3HD1  LEU  29          3HD1      LEU  29  -7.525 -12.572   8.700
  239   1HD2  LEU  29          1HD2      LEU  29  -9.992 -11.095   6.688
  240   2HD2  LEU  29          2HD2      LEU  29  -8.639 -12.214   6.513
  241   3HD2  LEU  29          3HD2      LEU  29  -8.466 -10.764   7.505
  242    H    VAL  30           H        VAL  30 -10.804 -11.665   5.024
  243    HA   VAL  30           HA       VAL  30 -10.104 -13.838   3.129
  244    HB   VAL  30           HB       VAL  30 -10.722 -10.875   2.804
  245   1HG1  VAL  30          1HG1      VAL  30  -9.475 -11.184   0.900
  246   2HG1  VAL  30          2HG1      VAL  30 -10.986 -11.882   0.314
  247   3HG1  VAL  30          3HG1      VAL  30  -9.701 -12.933   0.911
  248   1HG2  VAL  30          1HG2      VAL  30 -12.388 -13.131   3.150
  249   2HG2  VAL  30          2HG2      VAL  30 -12.485 -12.712   1.440
  250   3HG2  VAL  30          3HG2      VAL  30 -12.878 -11.507   2.667
  251    H    GLU  31           H        GLU  31  -8.906 -10.479   3.390
  252    HA   GLU  31           HA       GLU  31  -6.123 -11.573   3.570
  253   1HB   GLU  31          1HB       GLU  31  -7.340  -9.570   1.647
  254   2HB   GLU  31          2HB       GLU  31  -5.597  -9.695   1.887
  255   1HG   GLU  31          1HG       GLU  31  -7.248 -12.136   1.249
  256   2HG   GLU  31          2HG       GLU  31  -6.662 -11.080  -0.036
  257    H    GLU  32           H        GLU  32  -4.562  -9.952   4.373
  258    HA   GLU  32           HA       GLU  32  -5.791  -7.613   5.772
  259   1HB   GLU  32          1HB       GLU  32  -4.474  -8.308   7.797
  260   2HB   GLU  32          2HB       GLU  32  -5.698  -9.494   7.344
  261   1HG   GLU  32          1HG       GLU  32  -3.231 -10.013   5.923
  262   2HG   GLU  32          2HG       GLU  32  -2.930  -9.944   7.659
  263    H    CYS  33           H        CYS  33  -4.405  -5.824   5.859
  264    HA   CYS  33           HA       CYS  33  -1.543  -6.171   5.136
  265   1HB   CYS  33          1HB       CYS  33  -1.838  -4.513   3.280
  266   2HB   CYS  33          2HB       CYS  33  -2.766  -5.987   3.009
  267    HG   CYS  33           HG       CYS  33  -4.252  -3.758   2.661
  268    H    LEU  34           H        LEU  34  -0.681  -3.660   4.922
  269    HA   LEU  34           HA       LEU  34  -1.449  -2.417   7.515
  270   1HB   LEU  34          1HB       LEU  34   0.868  -2.054   5.595
  271   2HB   LEU  34          2HB       LEU  34   0.684  -1.146   7.092
  272    HG   LEU  34           HG       LEU  34   2.126  -2.940   7.634
  273   1HD1  LEU  34          1HD1      LEU  34  -0.450  -4.221   8.453
  274   2HD1  LEU  34          2HD1      LEU  34  -0.049  -2.619   9.072
  275   3HD1  LEU  34          3HD1      LEU  34   1.025  -3.982   9.390
  276   1HD2  LEU  34          1HD2      LEU  34   1.349  -4.195   5.473
  277   2HD2  LEU  34          2HD2      LEU  34   0.242  -5.014   6.575
  278   3HD2  LEU  34          3HD2      LEU  34   1.983  -5.122   6.833
  279    H    CYS  35           H        CYS  35  -1.303   0.119   7.417
  280    HA   CYS  35           HA       CYS  35  -2.292   1.232   4.841
  281   1HB   CYS  35          1HB       CYS  35  -3.763   1.188   7.499
  282   2HB   CYS  35          2HB       CYS  35  -4.234   2.226   6.154
  283    HG   CYS  35           HG       CYS  35  -4.639  -0.822   6.289
  284    H    ILE  36           H        ILE  36  -2.526   3.679   5.045
  285    HA   ILE  36           HA       ILE  36  -0.322   4.743   6.757
  286    HB   ILE  36           HB       ILE  36  -1.824   5.811   4.338
  287   1HG1  ILE  36          1HG1      ILE  36   1.093   5.060   4.560
  288   2HG1  ILE  36          2HG1      ILE  36  -0.139   3.881   4.117
  289   1HG2  ILE  36          1HG2      ILE  36  -1.072   7.621   5.880
  290   2HG2  ILE  36          2HG2      ILE  36  -0.199   7.645   4.347
  291   3HG2  ILE  36          3HG2      ILE  36   0.570   6.983   5.790
  292   1HD1  ILE  36          1HD1      ILE  36  -0.563   4.880   2.080
  293   2HD1  ILE  36          2HD1      ILE  36   1.133   5.326   2.266
  294   3HD1  ILE  36          3HD1      ILE  36  -0.132   6.488   2.663
  295    H    VAL  37           H        VAL  37  -0.725   6.593   8.096
  296    HA   VAL  37           HA       VAL  37  -3.626   7.206   8.561
  297    HB   VAL  37           HB       VAL  37  -1.340   6.967  10.555
  298   1HG1  VAL  37          1HG1      VAL  37  -4.282   7.606  10.815
  299   2HG1  VAL  37          2HG1      VAL  37  -2.907   8.514  11.446
  300   3HG1  VAL  37          3HG1      VAL  37  -3.349   6.967  12.169
  301   1HG2  VAL  37          1HG2      VAL  37  -1.880   4.769   9.786
  302   2HG2  VAL  37          2HG2      VAL  37  -3.608   5.121   9.782
  303   3HG2  VAL  37          3HG2      VAL  37  -2.743   4.966  11.312
  304    H    ARG  38           H        ARG  38  -3.232   9.072   7.092
  305    HA   ARG  38           HA       ARG  38  -1.524  11.213   8.298
  306   1HB   ARG  38          1HB       ARG  38  -2.135  10.223   5.616
  307   2HB   ARG  38          2HB       ARG  38  -2.374  11.966   5.739
  308   1HG   ARG  38          1HG       ARG  38   0.128  10.523   6.643
  309   2HG   ARG  38          2HG       ARG  38  -0.042  11.358   5.098
  310   1HD   ARG  38          1HD       ARG  38  -0.788  12.906   7.539
  311   2HD   ARG  38          2HD       ARG  38   0.935  12.603   7.269
  312    HE   ARG  38           HE       ARG  38  -0.416  13.432   4.834
  313   1HH1  ARG  38          1HH1      ARG  38   1.027  14.554   7.798
  314   2HH1  ARG  38          2HH1      ARG  38   1.400  16.115   7.153
  315   1HH2  ARG  38          1HH2      ARG  38   0.080  15.466   4.021
  316   2HH2  ARG  38          2HH2      ARG  38   0.869  16.629   5.032
  317    H    HIS  39           H        HIS  39  -2.451  13.262   8.706
  318    HA   HIS  39           HA       HIS  39  -5.217  13.394   9.408
  319   1HB   HIS  39          1HB       HIS  39  -3.151  15.535   8.773
  320   2HB   HIS  39          2HB       HIS  39  -4.680  15.840   9.599
  321    HD1  HIS  39           HD1      HIS  39  -1.744  16.158  10.872
  322    HD2  HIS  39           HD2      HIS  39  -4.372  12.982  11.493
  323    HE1  HIS  39           HE1      HIS  39  -1.073  15.092  13.070
  324    H    ASN  40           H        ASN  40  -6.449  15.500   8.358
  325    HA   ASN  40           HA       ASN  40  -6.916  14.723   5.545
  326   1HB   ASN  40          1HB       ASN  40  -8.527  15.329   7.618
  327   2HB   ASN  40          2HB       ASN  40  -8.365  16.940   6.927
  328   1HD2  ASN  40          1HD2      ASN  40  -8.045  15.863   4.137
  329   2HD2  ASN  40          2HD2      ASN  40  -9.593  15.345   3.671
  330    H    ASP  41           H        ASP  41  -7.914  17.674   5.198
  331    HA   ASP  41           HA       ASP  41  -7.075  19.644   4.233
  332   1HB   ASP  41          1HB       ASP  41  -4.604  18.921   5.851
  333   2HB   ASP  41          2HB       ASP  41  -5.071  20.527   5.302
  334    H    ASP  42           H        ASP  42  -3.917  19.679   3.833
  335    HA   ASP  42           HA       ASP  42  -3.767  19.232   1.111
  336   1HB   ASP  42          1HB       ASP  42  -1.713  18.670   3.280
  337   2HB   ASP  42          2HB       ASP  42  -1.324  18.874   1.572
  338    H    TRP  43           H        TRP  43  -3.828  16.776   3.624
  339    HA   TRP  43           HA       TRP  43  -2.829  14.576   2.053
  340   1HB   TRP  43          1HB       TRP  43  -2.935  14.518   4.481
  341   2HB   TRP  43          2HB       TRP  43  -4.671  14.823   4.460
  342    HD1  TRP  43           HD1      TRP  43  -6.145  12.765   4.616
  343    HE1  TRP  43           HE1      TRP  43  -5.838  10.236   4.195
  344    HE3  TRP  43           HE3      TRP  43  -1.368  12.727   2.798
  345    HZ2  TRP  43           HZ2      TRP  43  -3.817   8.455   3.201
  346    HZ3  TRP  43           HZ3      TRP  43  -0.294  10.610   2.130
  347    HH2  TRP  43           HH2      TRP  43  -1.507   8.469   2.353
  348    H    GLY  44           H        GLY  44  -6.203  15.382   2.992
  349   1HA   GLY  44          1HA       GLY  44  -7.477  13.499   1.317
  350   2HA   GLY  44          2HA       GLY  44  -8.222  15.003   1.858
  351    H    THR  45           H        THR  45  -5.985  16.558   0.534
  352    HA   THR  45           HA       THR  45  -7.275  16.796  -2.085
  353    HB   THR  45           HB       THR  45  -4.821  18.131  -0.898
  354    HG1  THR  45           HG1      THR  45  -6.185  19.191   0.267
  355   1HG2  THR  45          1HG2      THR  45  -6.194  19.870  -2.611
  356   2HG2  THR  45          2HG2      THR  45  -6.203  18.318  -3.452
  357   3HG2  THR  45          3HG2      THR  45  -4.673  19.046  -2.957
  358    H    ALA  46           H        ALA  46  -3.813  16.425  -1.198
  359    HA   ALA  46           HA       ALA  46  -2.869  15.648  -3.734
  360   1HB   ALA  46          1HB       ALA  46  -2.081  15.289  -0.874
  361   2HB   ALA  46          2HB       ALA  46  -1.188  16.047  -2.192
  362   3HB   ALA  46          3HB       ALA  46  -1.240  14.289  -2.059
  363    H    LEU  47           H        LEU  47  -3.694  13.441  -1.033
  364    HA   LEU  47           HA       LEU  47  -3.858  11.153  -2.912
  365   1HB   LEU  47          1HB       LEU  47  -4.085  11.508   0.094
  366   2HB   LEU  47          2HB       LEU  47  -4.193   9.944  -0.716
  367    HG   LEU  47           HG       LEU  47  -1.932  10.919  -1.812
  368   1HD1  LEU  47          1HD1      LEU  47  -1.378  12.809  -0.734
  369   2HD1  LEU  47          2HD1      LEU  47  -0.778  11.697   0.491
  370   3HD1  LEU  47          3HD1      LEU  47  -2.385  12.410   0.653
  371   1HD2  LEU  47          1HD2      LEU  47  -1.564   8.854  -1.067
  372   2HD2  LEU  47          2HD2      LEU  47  -2.588   9.095   0.344
  373   3HD2  LEU  47          3HD2      LEU  47  -0.918   9.667   0.357
  374    H    GLU  48           H        GLU  48  -5.889  12.950  -3.530
  375    HA   GLU  48           HA       GLU  48  -8.297  12.554  -2.011
  376   1HB   GLU  48          1HB       GLU  48  -9.347  13.451  -4.202
  377   2HB   GLU  48          2HB       GLU  48  -8.208  14.487  -3.350
  378   1HG   GLU  48          1HG       GLU  48  -7.937  14.318  -5.888
  379   2HG   GLU  48          2HG       GLU  48  -6.483  14.080  -4.936
  380    H    ASP  49           H        ASP  49  -7.560   9.968  -2.164
  381    HA   ASP  49           HA       ASP  49  -9.751   8.601  -3.318
  382   1HB   ASP  49          1HB       ASP  49  -7.661   9.384  -5.164
  383   2HB   ASP  49          2HB       ASP  49  -7.752   7.627  -5.078
  384    H    TYR  50           H        TYR  50  -9.592   6.301  -2.974
  385    HA   TYR  50           HA       TYR  50  -8.803   4.342  -1.922
  386   1HB   TYR  50          1HB       TYR  50  -6.034   5.516  -2.271
  387   2HB   TYR  50          2HB       TYR  50  -6.522   3.830  -2.374
  388    HD1  TYR  50           HD1      TYR  50  -5.268   6.273  -4.324
  389    HD2  TYR  50           HD2      TYR  50  -8.732   3.731  -4.198
  390    HE1  TYR  50           HE1      TYR  50  -5.541   6.520  -6.776
  391    HE2  TYR  50           HE2      TYR  50  -9.003   3.981  -6.648
  392    HH   TYR  50           HH       TYR  50  -7.746   4.567  -8.586
  393    H    LEU  51           H        LEU  51  -9.112   6.999  -0.334
  394    HA   LEU  51           HA       LEU  51  -7.223   6.370   1.896
  395   1HB   LEU  51          1HB       LEU  51  -8.909   8.776   1.139
  396   2HB   LEU  51          2HB       LEU  51  -8.068   8.664   2.681
  397    HG   LEU  51           HG       LEU  51  -6.819   8.659  -0.082
  398   1HD1  LEU  51          1HD1      LEU  51  -6.721  10.524   2.305
  399   2HD1  LEU  51          2HD1      LEU  51  -7.354  10.879   0.698
  400   3HD1  LEU  51          3HD1      LEU  51  -5.621  10.649   0.933
  401   1HD2  LEU  51          1HD2      LEU  51  -4.651   8.600   1.273
  402   2HD2  LEU  51          2HD2      LEU  51  -5.544   7.080   1.191
  403   3HD2  LEU  51          3HD2      LEU  51  -5.634   8.078   2.642
  404    H    PHE  52           H        PHE  52  -8.110   4.999   3.378
  405    HA   PHE  52           HA       PHE  52 -11.026   5.037   3.918
  406   1HB   PHE  52          1HB       PHE  52  -8.634   3.380   4.770
  407   2HB   PHE  52          2HB       PHE  52 -10.208   3.178   5.540
  408    HD1  PHE  52           HD1      PHE  52  -8.269   2.736   2.447
  409    HD2  PHE  52           HD2      PHE  52 -12.132   2.318   4.279
  410    HE1  PHE  52           HE1      PHE  52  -9.012   1.313   0.556
  411    HE2  PHE  52           HE2      PHE  52 -12.875   0.895   2.389
  412    HZ   PHE  52           HZ       PHE  52 -11.315   0.393   0.527
  413    H    SER  53           H        SER  53 -11.481   6.907   5.111
  414    HA   SER  53           HA       SER  53  -9.598   7.695   7.265
  415   1HB   SER  53          1HB       SER  53 -10.578   9.835   6.995
  416   2HB   SER  53          2HB       SER  53 -10.629   9.165   5.365
  417    HG   SER  53           HG       SER  53 -12.702   9.394   7.261
  418    H    ARG  54           H        ARG  54 -10.399   8.232   9.386
  419    HA   ARG  54           HA       ARG  54 -12.916   6.785  10.142
  420   1HB   ARG  54          1HB       ARG  54 -10.281   7.259  11.584
  421   2HB   ARG  54          2HB       ARG  54 -11.698   6.555  12.362
  422   1HG   ARG  54          1HG       ARG  54 -11.594   4.957  10.213
  423   2HG   ARG  54          2HG       ARG  54  -9.885   5.384  10.303
  424   1HD   ARG  54          1HD       ARG  54 -11.552   4.178  12.543
  425   2HD   ARG  54          2HD       ARG  54 -10.250   3.376  11.649
  426    HE   ARG  54           HE       ARG  54  -9.031   5.664  12.566
  427   1HH1  ARG  54          1HH1      ARG  54 -10.927   3.171  14.088
  428   2HH1  ARG  54          2HH1      ARG  54 -10.126   3.339  15.611
  429   1HH2  ARG  54          1HH2      ARG  54  -8.006   5.862  14.556
  430   2HH2  ARG  54          2HH2      ARG  54  -8.485   4.849  15.877
  431    H    LYS  55           H        LYS  55 -13.467   7.769  12.556
  432    HA   LYS  55           HA       LYS  55 -14.132  10.569  12.066
  433   1HB   LYS  55          1HB       LYS  55 -14.947   8.347  13.716
  434   2HB   LYS  55          2HB       LYS  55 -14.665   9.746  14.752
  435   1HG   LYS  55          1HG       LYS  55 -16.006  10.850  12.604
  436   2HG   LYS  55          2HG       LYS  55 -16.788   9.280  12.777
  437   1HD   LYS  55          1HD       LYS  55 -17.807   9.895  14.702
  438   2HD   LYS  55          2HD       LYS  55 -16.321  10.585  15.353
  439   1HE   LYS  55          1HE       LYS  55 -16.686  12.670  14.188
  440   2HE   LYS  55          2HE       LYS  55 -18.029  11.975  13.260
  441   1HZ   LYS  55          1HZ       LYS  55 -18.731  13.256  15.269
  442   2HZ   LYS  55          2HZ       LYS  55 -17.950  12.093  16.230
  443   3HZ   LYS  55          3HZ       LYS  55 -19.268  11.645  15.256
  444    H    ASN  56           H        ASN  56 -11.879  11.351  11.974
  445    HA   ASN  56           HA       ASN  56 -10.286  11.281  14.454
  446   1HB   ASN  56          1HB       ASN  56 -11.977  13.033  14.848
  447   2HB   ASN  56          2HB       ASN  56 -10.388  13.771  14.646
  448   1HD2  ASN  56          1HD2      ASN  56 -10.649  15.660  13.442
  449   2HD2  ASN  56          2HD2      ASN  56 -11.630  15.810  12.066
  450    H    MET  57           H        MET  57 -10.156  10.747  11.372
  451    HA   MET  57           HA       MET  57  -8.276  12.675  10.304
  452   1HB   MET  57          1HB       MET  57  -6.230  11.333  10.641
  453   2HB   MET  57          2HB       MET  57  -6.968  11.718  12.195
  454   1HG   MET  57          1HG       MET  57  -8.145   9.292  11.244
  455   2HG   MET  57          2HG       MET  57  -6.395   9.136  11.092
  456   1HE   MET  57          1HE       MET  57  -5.516  11.139  13.973
  457   2HE   MET  57          2HE       MET  57  -4.909  10.160  12.638
  458   3HE   MET  57          3HE       MET  57  -4.846   9.538  14.287
  459    H    SER  58           H        SER  58  -6.758  11.177   8.616
  460    HA   SER  58           HA       SER  58  -8.705   9.388   7.203
  461   1HB   SER  58          1HB       SER  58  -6.768  11.381   5.979
  462   2HB   SER  58          2HB       SER  58  -8.014  10.466   5.130
  463    HG   SER  58           HG       SER  58  -8.282  12.603   6.934
  464    H    ALA  59           H        ALA  59  -7.740   7.624   6.054
  465    HA   ALA  59           HA       ALA  59  -4.791   7.271   6.444
  466   1HB   ALA  59          1HB       ALA  59  -5.428   5.788   8.063
  467   2HB   ALA  59          2HB       ALA  59  -5.891   4.743   6.719
  468   3HB   ALA  59          3HB       ALA  59  -7.098   5.766   7.497
  469    H    MET  60           H        MET  60  -4.114   5.205   5.088
  470    HA   MET  60           HA       MET  60  -5.552   5.318   2.453
  471   1HB   MET  60          1HB       MET  60  -3.219   6.408   2.764
  472   2HB   MET  60          2HB       MET  60  -2.607   4.761   2.893
  473   1HG   MET  60          1HG       MET  60  -3.135   4.250   0.682
  474   2HG   MET  60          2HG       MET  60  -4.395   5.480   0.592
  475   1HE   MET  60          1HE       MET  60  -2.505   7.216  -1.989
  476   2HE   MET  60          2HE       MET  60  -3.892   7.617  -0.975
  477   3HE   MET  60          3HE       MET  60  -3.690   5.974  -1.583
  478    H    ALA  61           H        ALA  61  -5.521   3.314   1.220
  479    HA   ALA  61           HA       ALA  61  -5.529   0.901   2.928
  480   1HB   ALA  61          1HB       ALA  61  -6.088   0.200   0.288
  481   2HB   ALA  61          2HB       ALA  61  -6.655   1.867   0.392
  482   3HB   ALA  61          3HB       ALA  61  -7.289   0.649   1.499
  483    H    LEU  62           H        LEU  62  -3.265   0.564   3.301
  484    HA   LEU  62           HA       LEU  62  -1.150  -0.358   2.804
  485   1HB   LEU  62          1HB       LEU  62  -0.930   0.842   0.169
  486   2HB   LEU  62          2HB       LEU  62  -1.721   1.961   1.275
  487    HG   LEU  62           HG       LEU  62   0.983   0.637   1.636
  488   1HD1  LEU  62          1HD1      LEU  62   1.518   2.519   0.455
  489   2HD1  LEU  62          2HD1      LEU  62   1.295   3.321   2.009
  490   3HD1  LEU  62          3HD1      LEU  62  -0.016   3.306   0.830
  491   1HD2  LEU  62          1HD2      LEU  62   0.928   2.247   3.719
  492   2HD2  LEU  62          2HD2      LEU  62   0.199   0.645   3.835
  493   3HD2  LEU  62          3HD2      LEU  62  -0.819   2.061   3.570
  494    H    GLY  63           H        GLY  63  -2.518  -2.443   2.473
  495   1HA   GLY  63          1HA       GLY  63  -1.500  -3.838   0.197
  496   2HA   GLY  63          2HA       GLY  63  -2.744  -4.452   1.284
  497    H    PHE  64           H        PHE  64  -4.261  -5.196  -0.173
  498    HA   PHE  64           HA       PHE  64  -5.002  -3.605  -2.537
  499   1HB   PHE  64          1HB       PHE  64  -6.051  -6.191  -1.324
  500   2HB   PHE  64          2HB       PHE  64  -6.455  -5.592  -2.932
  501    HD1  PHE  64           HD1      PHE  64  -3.784  -6.993  -0.804
  502    HD2  PHE  64           HD2      PHE  64  -4.836  -5.654  -4.747
  503    HE1  PHE  64           HE1      PHE  64  -1.728  -8.043  -1.709
  504    HE2  PHE  64           HE2      PHE  64  -2.780  -6.705  -5.653
  505    HZ   PHE  64           HZ       PHE  64  -1.226  -7.899  -4.134
  506    H    GLY  65           H        GLY  65  -5.574  -2.107  -0.236
  507   1HA   GLY  65          1HA       GLY  65  -8.401  -2.527   0.464
  508   2HA   GLY  65          2HA       GLY  65  -7.356  -1.258   1.099
  509    H    ALA  66           H        ALA  66  -6.544  -0.663  -1.800
  510    HA   ALA  66           HA       ALA  66  -8.697   1.291  -2.297
  511   1HB   ALA  66          1HB       ALA  66  -6.184   1.700  -2.389
  512   2HB   ALA  66          2HB       ALA  66  -7.062   2.218  -3.828
  513   3HB   ALA  66          3HB       ALA  66  -6.150   0.708  -3.847
  514    H    ILE  67           H        ILE  67  -7.038  -1.252  -4.189
  515    HA   ILE  67           HA       ILE  67  -8.431  -1.242  -6.554
  516    HB   ILE  67           HB       ILE  67  -8.063  -3.775  -6.488
  517   1HG1  ILE  67          1HG1      ILE  67  -6.586  -4.465  -4.503
  518   2HG1  ILE  67          2HG1      ILE  67  -7.227  -3.056  -3.669
  519   1HG2  ILE  67          1HG2      ILE  67  -5.748  -2.030  -5.604
  520   2HG2  ILE  67          2HG2      ILE  67  -6.369  -2.114  -7.253
  521   3HG2  ILE  67          3HG2      ILE  67  -5.636  -3.538  -6.512
  522   1HD1  ILE  67          1HD1      ILE  67  -8.405  -5.566  -3.764
  523   2HD1  ILE  67          2HD1      ILE  67  -9.327  -4.633  -4.945
  524   3HD1  ILE  67          3HD1      ILE  67  -9.202  -4.073  -3.276
  525    H    PHE  68           H        PHE  68  -9.776  -2.216  -3.450
  526    HA   PHE  68           HA       PHE  68 -11.980  -3.772  -4.275
  527   1HB   PHE  68          1HB       PHE  68 -11.413  -1.818  -2.053
  528   2HB   PHE  68          2HB       PHE  68 -13.011  -2.552  -2.182
  529    HD1  PHE  68           HD1      PHE  68 -12.715  -5.230  -2.941
  530    HD2  PHE  68           HD2      PHE  68 -10.040  -2.901  -0.518
  531    HE1  PHE  68           HE1      PHE  68 -11.836  -7.308  -1.914
  532    HE2  PHE  68           HE2      PHE  68  -9.162  -4.980   0.509
  533    HZ   PHE  68           HZ       PHE  68 -10.060  -7.184  -0.189
  534    H    ASN  69           H        ASN  69 -14.036  -3.250  -5.085
  535    HA   ASN  69           HA       ASN  69 -14.422  -0.393  -5.924
  536   1HB   ASN  69          1HB       ASN  69 -15.316  -2.995  -7.221
  537   2HB   ASN  69          2HB       ASN  69 -15.564  -1.380  -7.886
  538   1HD2  ASN  69          1HD2      ASN  69 -14.055  -3.335  -9.329
  539   2HD2  ASN  69          2HD2      ASN  69 -12.431  -2.830  -9.371
  540    H    HIS  70           H        HIS  70 -16.915  -0.179  -6.579
  541    HA   HIS  70           HA       HIS  70 -18.495  -1.012  -4.181
  542   1HB   HIS  70          1HB       HIS  70 -18.287   1.393  -4.618
  543   2HB   HIS  70          2HB       HIS  70 -18.817   1.163  -6.284
  544    HD1  HIS  70           HD1      HIS  70 -20.078   1.635  -2.851
  545    HD2  HIS  70           HD2      HIS  70 -21.624   0.350  -6.502
  546    HE1  HIS  70           HE1      HIS  70 -22.600   1.687  -2.618
  547    H    SER  71           H        SER  71 -20.633  -1.934  -4.553
  548    HA   SER  71           HA       SER  71 -21.447  -2.541  -7.323
  549   1HB   SER  71          1HB       SER  71 -19.752  -4.233  -6.882
  550   2HB   SER  71          2HB       SER  71 -20.496  -4.631  -5.334
  551    HG   SER  71           HG       SER  71 -20.979  -5.885  -7.439
  552    H    LYS  72           H        LYS  72 -22.491  -1.362  -4.637
  553    HA   LYS  72           HA       LYS  72 -24.543  -1.360  -3.460
  554   1HB   LYS  72          1HB       LYS  72 -25.034  -1.285  -6.055
  555   2HB   LYS  72          2HB       LYS  72 -25.642  -2.919  -5.792
  556   1HG   LYS  72          1HG       LYS  72 -27.490  -1.356  -5.552
  557   2HG   LYS  72          2HG       LYS  72 -27.105  -2.020  -3.965
  558   1HD   LYS  72          1HD       LYS  72 -26.180  -0.033  -3.206
  559   2HD   LYS  72          2HD       LYS  72 -25.730   0.497  -4.827
  560   1HE   LYS  72          1HE       LYS  72 -28.394   0.493  -5.156
  561   2HE   LYS  72          2HE       LYS  72 -28.345   0.767  -3.404
  562   1HZ   LYS  72          1HZ       LYS  72 -28.172   2.853  -4.677
  563   2HZ   LYS  72          2HZ       LYS  72 -26.757   2.277  -5.419
  564   3HZ   LYS  72          3HZ       LYS  72 -26.782   2.562  -3.745
  565    H    ASP  73           H        ASP  73 -22.694  -3.810  -3.364
  566    HA   ASP  73           HA       ASP  73 -24.348  -5.461  -1.668
  567   1HB   ASP  73          1HB       ASP  73 -24.382  -7.437  -3.216
  568   2HB   ASP  73          2HB       ASP  73 -25.301  -6.072  -3.851
  569    HA   PRO  74           HA       PRO  74 -19.655  -5.729  -1.566
  570   1HB   PRO  74          1HB       PRO  74 -19.470  -5.044   1.119
  571   2HB   PRO  74          2HB       PRO  74 -19.330  -3.888  -0.216
  572   1HG   PRO  74          1HG       PRO  74 -21.655  -4.490   1.539
  573   2HG   PRO  74          2HG       PRO  74 -21.110  -2.941   0.880
  574   1HD   PRO  74          1HD       PRO  74 -23.214  -4.316  -0.134
  575   2HD   PRO  74          2HD       PRO  74 -22.169  -3.283  -1.132
  576    H    ASN  75           H        ASN  75 -19.915  -8.038  -1.722
  577    HA   ASN  75           HA       ASN  75 -21.067  -9.716   0.280
  578   1HB   ASN  75          1HB       ASN  75 -18.835 -10.147  -1.742
  579   2HB   ASN  75          2HB       ASN  75 -19.651 -11.450  -0.877
  580   1HD2  ASN  75          1HD2      ASN  75 -19.668 -10.754  -3.846
  581   2HD2  ASN  75          2HD2      ASN  75 -21.311 -10.603  -4.242
  582    H    ALA  76           H        ALA  76 -17.976  -8.093   0.081
  583    HA   ALA  76           HA       ALA  76 -17.194  -9.358   2.684
  584   1HB   ALA  76          1HB       ALA  76 -14.822  -8.703   1.525
  585   2HB   ALA  76          2HB       ALA  76 -15.789  -9.011   0.083
  586   3HB   ALA  76          3HB       ALA  76 -15.594 -10.272   1.300
  587    H    ARG  77           H        ARG  77 -16.901  -7.844   4.275
  588    HA   ARG  77           HA       ARG  77 -16.808  -4.973   3.497
  589   1HB   ARG  77          1HB       ARG  77 -18.261  -6.386   5.328
  590   2HB   ARG  77          2HB       ARG  77 -16.925  -5.835   6.338
  591   1HG   ARG  77          1HG       ARG  77 -17.844  -3.785   6.442
  592   2HG   ARG  77          2HG       ARG  77 -17.738  -3.648   4.688
  593   1HD   ARG  77          1HD       ARG  77 -19.998  -3.772   4.576
  594   2HD   ARG  77          2HD       ARG  77 -19.925  -5.397   5.281
  595    HE   ARG  77           HE       ARG  77 -19.516  -3.608   7.413
  596   1HH1  ARG  77          1HH1      ARG  77 -21.996  -4.285   5.066
  597   2HH1  ARG  77          2HH1      ARG  77 -23.276  -3.774   6.110
  598   1HH2  ARG  77          1HH2      ARG  77 -21.192  -2.952   8.748
  599   2HH2  ARG  77          2HH2      ARG  77 -22.827  -3.025   8.180
  600    H    HIS  78           H        HIS  78 -15.494  -3.785   5.523
  601    HA   HIS  78           HA       HIS  78 -12.747  -4.979   5.405
  602   1HB   HIS  78          1HB       HIS  78 -12.041  -2.559   5.604
  603   2HB   HIS  78          2HB       HIS  78 -12.957  -2.913   4.141
  604    HD1  HIS  78           HD1      HIS  78 -14.681  -1.192   3.687
  605    HD2  HIS  78           HD2      HIS  78 -14.092  -1.696   7.782
  606    HE1  HIS  78           HE1      HIS  78 -16.254   0.424   4.839
  607    H    GLU  79           H        GLU  79 -11.401  -4.623   7.307
  608    HA   GLU  79           HA       GLU  79 -12.887  -3.992   9.827
  609   1HB   GLU  79          1HB       GLU  79 -12.857  -6.443   9.375
  610   2HB   GLU  79          2HB       GLU  79 -11.102  -6.387   9.251
  611   1HG   GLU  79          1HG       GLU  79 -11.809  -7.136  11.494
  612   2HG   GLU  79          2HG       GLU  79 -10.961  -5.593  11.577
  613    H    LEU  80           H        LEU  80 -11.702  -2.541  11.014
  614    HA   LEU  80           HA       LEU  80  -8.799  -2.247  10.371
  615   1HB   LEU  80          1HB       LEU  80 -11.001  -0.486  11.444
  616   2HB   LEU  80          2HB       LEU  80  -9.314  -0.035  11.693
  617    HG   LEU  80           HG       LEU  80 -10.429  -0.744   8.970
  618   1HD1  LEU  80          1HD1      LEU  80 -11.677   1.182   9.595
  619   2HD1  LEU  80          2HD1      LEU  80 -10.326   1.806   8.649
  620   3HD1  LEU  80          3HD1      LEU  80 -10.292   1.908  10.407
  621   1HD2  LEU  80          1HD2      LEU  80  -8.410   0.538   8.236
  622   2HD2  LEU  80          2HD2      LEU  80  -8.004  -0.897   9.177
  623   3HD2  LEU  80          3HD2      LEU  80  -7.937   0.697   9.928
  624    H    THR  81           H        THR  81  -7.302  -2.787  11.906
  625    HA   THR  81           HA       THR  81  -7.959  -4.179  14.299
  626    HB   THR  81           HB       THR  81  -5.460  -3.413  14.773
  627    HG1  THR  81           HG1      THR  81  -4.518  -2.404  13.148
  628   1HG2  THR  81          1HG2      THR  81  -4.895  -4.942  12.610
  629   2HG2  THR  81          2HG2      THR  81  -6.621  -5.271  12.765
  630   3HG2  THR  81          3HG2      THR  81  -5.536  -5.607  14.114
  631    H    ALA  82           H        ALA  82  -6.525  -3.055  16.363
  632    HA   ALA  82           HA       ALA  82  -8.344  -1.060  17.392
  633   1HB   ALA  82          1HB       ALA  82  -5.598  -1.587  18.501
  634   2HB   ALA  82          2HB       ALA  82  -6.776  -2.899  18.487
  635   3HB   ALA  82          3HB       ALA  82  -7.127  -1.409  19.362
  636    H    GLY  83           H        GLY  83  -8.084   0.597  15.640
  637   1HA   GLY  83          1HA       GLY  83  -7.010   2.943  16.108
  638   2HA   GLY  83          2HA       GLY  83  -5.506   2.085  15.771
  639    H    LEU  84           H        LEU  84  -4.836   2.247  13.690
  640    HA   LEU  84           HA       LEU  84  -6.660   1.950  11.436
  641   1HB   LEU  84          1HB       LEU  84  -7.053   4.284  12.385
  642   2HB   LEU  84          2HB       LEU  84  -5.394   4.667  11.927
  643    HG   LEU  84           HG       LEU  84  -5.934   4.052   9.575
  644   1HD1  LEU  84          1HD1      LEU  84  -7.719   2.643   9.416
  645   2HD1  LEU  84          2HD1      LEU  84  -8.660   4.135   9.386
  646   3HD1  LEU  84          3HD1      LEU  84  -8.454   3.252  10.899
  647   1HD2  LEU  84          1HD2      LEU  84  -7.783   5.971   9.373
  648   2HD2  LEU  84          2HD2      LEU  84  -6.113   6.347   9.801
  649   3HD2  LEU  84          3HD2      LEU  84  -7.342   6.231  11.061
  650    H    LYS  85           H        LYS  85  -4.272   0.608  12.126
  651    HA   LYS  85           HA       LYS  85  -2.327   1.679  10.108
  652   1HB   LYS  85          1HB       LYS  85  -2.067   0.299  12.773
  653   2HB   LYS  85          2HB       LYS  85  -0.752   0.201  11.603
  654   1HG   LYS  85          1HG       LYS  85  -0.718   2.684  11.469
  655   2HG   LYS  85          2HG       LYS  85  -1.980   2.750  12.698
  656   1HD   LYS  85          1HD       LYS  85  -0.434   1.421  14.205
  657   2HD   LYS  85          2HD       LYS  85   0.833   1.671  13.005
  658   1HE   LYS  85          1HE       LYS  85  -0.643   4.115  13.838
  659   2HE   LYS  85          2HE       LYS  85   0.417   3.391  15.062
  660   1HZ   LYS  85          1HZ       LYS  85   1.239   3.843  12.242
  661   2HZ   LYS  85          2HZ       LYS  85   2.231   3.409  13.551
  662   3HZ   LYS  85          3HZ       LYS  85   1.547   4.962  13.483
  663    H    ARG  86           H        ARG  86  -4.342  -0.989  11.014
  664    HA   ARG  86           HA       ARG  86  -3.121  -2.617   8.811
  665   1HB   ARG  86          1HB       ARG  86  -3.307  -3.105  11.637
  666   2HB   ARG  86          2HB       ARG  86  -4.322  -4.280  10.801
  667   1HG   ARG  86          1HG       ARG  86  -2.278  -4.564   9.210
  668   2HG   ARG  86          2HG       ARG  86  -1.363  -3.797  10.508
  669   1HD   ARG  86          1HD       ARG  86  -3.076  -6.293  10.806
  670   2HD   ARG  86          2HD       ARG  86  -1.304  -6.252  10.761
  671    HE   ARG  86           HE       ARG  86  -1.984  -4.399  12.721
  672   1HH1  ARG  86          1HH1      ARG  86  -2.669  -7.763  12.143
  673   2HH1  ARG  86          2HH1      ARG  86  -2.809  -8.137  13.825
  674   1HH2  ARG  86          1HH2      ARG  86  -2.172  -4.908  14.898
  675   2HH2  ARG  86          2HH2      ARG  86  -2.530  -6.534  15.377
  676    H    MET  87           H        MET  87  -4.629  -3.788   7.542
  677    HA   MET  87           HA       MET  87  -7.516  -3.159   8.082
  678   1HB   MET  87          1HB       MET  87  -5.737  -2.996   5.708
  679   2HB   MET  87          2HB       MET  87  -7.352  -3.630   5.397
  680   1HG   MET  87          1HG       MET  87  -6.843  -1.067   6.929
  681   2HG   MET  87          2HG       MET  87  -7.145  -1.111   5.192
  682   1HE   MET  87          1HE       MET  87 -10.468  -0.507   4.866
  683   2HE   MET  87          2HE       MET  87  -9.977  -2.082   4.244
  684   3HE   MET  87          3HE       MET  87  -8.829  -0.744   4.258
  685    H    ARG  88           H        ARG  88  -9.040  -4.812   7.360
  686    HA   ARG  88           HA       ARG  88  -7.931  -7.514   6.785
  687   1HB   ARG  88          1HB       ARG  88  -9.136  -6.507   9.295
  688   2HB   ARG  88          2HB       ARG  88  -9.825  -8.025   8.719
  689   1HG   ARG  88          1HG       ARG  88  -7.552  -8.991   8.572
  690   2HG   ARG  88          2HG       ARG  88  -6.879  -7.480   9.187
  691   1HD   ARG  88          1HD       ARG  88  -7.496  -7.960  11.335
  692   2HD   ARG  88          2HD       ARG  88  -9.078  -8.587  10.828
  693    HE   ARG  88           HE       ARG  88  -7.195 -10.433   9.868
  694   1HH1  ARG  88          1HH1      ARG  88  -8.110  -9.118  12.959
  695   2HH1  ARG  88          2HH1      ARG  88  -7.662 -10.547  13.823
  696   1HH2  ARG  88          1HH2      ARG  88  -6.621 -12.277  11.012
  697   2HH2  ARG  88          2HH2      ARG  88  -6.825 -12.324  12.732
  698    H    ILE  89           H        ILE  89  -9.113  -8.071   4.969
  699    HA   ILE  89           HA       ILE  89 -11.828  -6.983   4.590
  700    HB   ILE  89           HB       ILE  89  -9.966  -8.745   2.958
  701   1HG1  ILE  89          1HG1      ILE  89 -10.555  -6.211   1.787
  702   2HG1  ILE  89          2HG1      ILE  89 -10.117  -5.928   3.469
  703   1HG2  ILE  89          1HG2      ILE  89 -12.336  -9.169   2.378
  704   2HG2  ILE  89          2HG2      ILE  89 -11.503  -8.315   1.078
  705   3HG2  ILE  89          3HG2      ILE  89 -12.586  -7.437   2.158
  706   1HD1  ILE  89          1HD1      ILE  89  -8.159  -7.597   2.960
  707   2HD1  ILE  89          2HD1      ILE  89  -8.027  -5.922   2.423
  708   3HD1  ILE  89          3HD1      ILE  89  -8.486  -7.183   1.277
  709    H    PHE  90           H        PHE  90 -13.536  -8.055   5.466
  710    HA   PHE  90           HA       PHE  90 -13.325 -11.007   5.887
  711   1HB   PHE  90          1HB       PHE  90 -14.417  -8.689   7.308
  712   2HB   PHE  90          2HB       PHE  90 -15.581 -10.011   7.200
  713    HD1  PHE  90           HD1      PHE  90 -14.745 -12.376   7.813
  714    HD2  PHE  90           HD2      PHE  90 -12.657  -8.777   8.874
  715    HE1  PHE  90           HE1      PHE  90 -13.500 -13.616   9.561
  716    HE2  PHE  90           HE2      PHE  90 -11.411 -10.016  10.624
  717    HZ   PHE  90           HZ       PHE  90 -11.824 -12.442  10.955
  718    H    THR  91           H        THR  91 -15.364 -12.251   5.505
  719    HA   THR  91           HA       THR  91 -16.798 -11.209   3.095
  720    HB   THR  91           HB       THR  91 -17.300 -13.744   2.909
  721    HG1  THR  91           HG1      THR  91 -15.756 -14.992   4.096
  722   1HG2  THR  91          1HG2      THR  91 -15.195 -12.183   2.033
  723   2HG2  THR  91          2HG2      THR  91 -15.526 -13.831   1.500
  724   3HG2  THR  91          3HG2      THR  91 -14.372 -13.541   2.802
  725    H    ILE  92           H        ILE  92 -18.392 -10.001   4.357
  726    HA   ILE  92           HA       ILE  92 -19.935 -10.964   6.509
  727    HB   ILE  92           HB       ILE  92 -21.604  -9.288   5.634
  728   1HG1  ILE  92          1HG1      ILE  92 -19.684  -8.711   3.399
  729   2HG1  ILE  92          2HG1      ILE  92 -20.898  -9.973   3.184
  730   1HG2  ILE  92          1HG2      ILE  92 -19.821  -8.429   6.987
  731   2HG2  ILE  92          2HG2      ILE  92 -19.940  -7.359   5.590
  732   3HG2  ILE  92          3HG2      ILE  92 -18.663  -8.573   5.665
  733   1HD1  ILE  92          1HD1      ILE  92 -22.276  -8.276   2.566
  734   2HD1  ILE  92          2HD1      ILE  92 -21.227  -7.050   3.279
  735   3HD1  ILE  92          3HD1      ILE  92 -22.375  -7.926   4.292
  736    H    LYS  93           H        LYS  93 -20.041 -11.851   3.136
  737    HA   LYS  93           HA       LYS  93 -22.347 -13.666   3.739
  738   1HB   LYS  93          1HB       LYS  93 -21.838 -12.010   1.237
  739   2HB   LYS  93          2HB       LYS  93 -23.202 -13.101   1.478
  740   1HG   LYS  93          1HG       LYS  93 -23.438 -11.589   3.707
  741   2HG   LYS  93          2HG       LYS  93 -22.709 -10.405   2.623
  742   1HD   LYS  93          1HD       LYS  93 -24.573 -11.497   0.970
  743   2HD   LYS  93          2HD       LYS  93 -25.393 -11.657   2.524
  744   1HE   LYS  93          1HE       LYS  93 -25.782  -9.419   2.634
  745   2HE   LYS  93          2HE       LYS  93 -24.101  -9.043   2.212
  746   1HZ   LYS  93          1HZ       LYS  93 -26.037 -10.101   0.230
  747   2HZ   LYS  93          2HZ       LYS  93 -24.544  -9.346  -0.063
  748   3HZ   LYS  93          3HZ       LYS  93 -25.860  -8.434   0.502
  749    HA   PRO  94           HA       PRO  94 -19.656 -16.830   2.236
  750   1HB   PRO  94          1HB       PRO  94 -22.045 -18.048   1.047
  751   2HB   PRO  94          2HB       PRO  94 -20.921 -18.728   2.221
  752   1HG   PRO  94          1HG       PRO  94 -23.400 -17.932   2.896
  753   2HG   PRO  94          2HG       PRO  94 -22.027 -17.819   4.000
  754   1HD   PRO  94          1HD       PRO  94 -23.420 -15.676   2.491
  755   2HD   PRO  94          2HD       PRO  94 -22.595 -15.606   4.063
  756    H    ILE  95           H        ILE  95 -18.435 -16.773   0.393
  757    HA   ILE  95           HA       ILE  95 -19.715 -15.719  -2.098
  758    HB   ILE  95           HB       ILE  95 -16.850 -15.855  -1.088
  759   1HG1  ILE  95          1HG1      ILE  95 -18.519 -13.407  -1.673
  760   2HG1  ILE  95          2HG1      ILE  95 -18.548 -14.191  -0.094
  761   1HG2  ILE  95          1HG2      ILE  95 -16.730 -16.035  -3.473
  762   2HG2  ILE  95          2HG2      ILE  95 -16.429 -14.338  -3.096
  763   3HG2  ILE  95          3HG2      ILE  95 -18.011 -14.840  -3.693
  764   1HD1  ILE  95          1HD1      ILE  95 -15.893 -14.044  -0.404
  765   2HD1  ILE  95          2HD1      ILE  95 -16.821 -12.707   0.275
  766   3HD1  ILE  95          3HD1      ILE  95 -16.345 -12.677  -1.423
  767    H    ALA  96           H        ALA  96 -19.692 -16.981  -3.949
  768    HA   ALA  96           HA       ALA  96 -18.827 -19.794  -3.670
  769   1HB   ALA  96          1HB       ALA  96 -21.042 -18.997  -4.622
  770   2HB   ALA  96          2HB       ALA  96 -20.144 -20.071  -5.694
  771   3HB   ALA  96          3HB       ALA  96 -20.143 -18.332  -5.986
  772    H    ILE  97           H        ILE  97 -17.570 -20.773  -5.511
  773    HA   ILE  97           HA       ILE  97 -15.145 -19.286  -6.028
  774    HB   ILE  97           HB       ILE  97 -16.313 -21.875  -7.111
  775   1HG1  ILE  97          1HG1      ILE  97 -14.021 -22.012  -5.316
  776   2HG1  ILE  97          2HG1      ILE  97 -15.386 -21.187  -4.568
  777   1HG2  ILE  97          1HG2      ILE  97 -13.425 -21.718  -7.122
  778   2HG2  ILE  97          2HG2      ILE  97 -14.106 -20.403  -8.080
  779   3HG2  ILE  97          3HG2      ILE  97 -14.518 -22.076  -8.459
  780   1HD1  ILE  97          1HD1      ILE  97 -16.720 -23.065  -4.611
  781   2HD1  ILE  97          2HD1      ILE  97 -15.150 -23.865  -4.542
  782   3HD1  ILE  97          3HD1      ILE  97 -15.980 -23.684  -6.087
  783    H    GLY  98           H        GLY  98 -15.136 -17.608  -7.484
  784   1HA   GLY  98          1HA       GLY  98 -15.039 -17.133  -9.932
  785   2HA   GLY  98          2HA       GLY  98 -16.543 -18.040 -10.089
  786    H    GLU  99           H        GLU  99 -15.700 -15.631  -7.608
  787    HA   GLU  99           HA       GLU  99 -17.956 -13.938  -8.647
  788   1HB   GLU  99          1HB       GLU  99 -17.034 -14.661  -5.848
  789   2HB   GLU  99          2HB       GLU  99 -18.176 -13.355  -6.159
  790   1HG   GLU  99          1HG       GLU  99 -18.707 -16.038  -7.382
  791   2HG   GLU  99          2HG       GLU  99 -19.039 -15.815  -5.664
  792    H    GLU 100           H        GLU 100 -17.659 -11.637  -7.380
  793    HA   GLU 100           HA       GLU 100 -14.794 -10.827  -7.758
  794   1HB   GLU 100          1HB       GLU 100 -16.462 -10.133  -9.552
  795   2HB   GLU 100          2HB       GLU 100 -17.282  -9.175  -8.319
  796   1HG   GLU 100          1HG       GLU 100 -14.789  -8.278  -7.914
  797   2HG   GLU 100          2HG       GLU 100 -14.622  -8.737  -9.608
  798    H    ILE 101           H        ILE 101 -13.931  -9.960  -5.912
  799    HA   ILE 101           HA       ILE 101 -15.723  -9.302  -3.657
  800    HB   ILE 101           HB       ILE 101 -12.696  -9.271  -3.953
  801   1HG1  ILE 101          1HG1      ILE 101 -14.557 -11.412  -2.881
  802   2HG1  ILE 101          2HG1      ILE 101 -13.670 -11.494  -4.403
  803   1HG2  ILE 101          1HG2      ILE 101 -12.572  -9.083  -1.617
  804   2HG2  ILE 101          2HG2      ILE 101 -14.239  -9.613  -1.391
  805   3HG2  ILE 101          3HG2      ILE 101 -13.903  -7.999  -2.016
  806   1HD1  ILE 101          1HD1      ILE 101 -12.520 -11.420  -1.600
  807   2HD1  ILE 101          2HD1      ILE 101 -11.540 -11.187  -3.049
  808   3HD1  ILE 101          3HD1      ILE 101 -12.377 -12.717  -2.787
  809    H    THR 102           H        THR 102 -16.352  -7.254  -3.229
  810    HA   THR 102           HA       THR 102 -14.644  -4.942  -3.916
  811    HB   THR 102           HB       THR 102 -16.628  -3.972  -5.219
  812    HG1  THR 102           HG1      THR 102 -17.419  -6.686  -5.297
  813   1HG2  THR 102          1HG2      THR 102 -15.953  -4.985  -7.252
  814   2HG2  THR 102          2HG2      THR 102 -15.585  -6.518  -6.461
  815   3HG2  THR 102          3HG2      THR 102 -14.541  -5.120  -6.203
  816    H    ILE 103           H        ILE 103 -15.140  -3.170  -2.562
  817    HA   ILE 103           HA       ILE 103 -17.491  -3.536  -0.733
  818    HB   ILE 103           HB       ILE 103 -16.049  -2.612   1.034
  819   1HG1  ILE 103          1HG1      ILE 103 -13.490  -2.699  -0.195
  820   2HG1  ILE 103          2HG1      ILE 103 -14.523  -1.715  -1.232
  821   1HG2  ILE 103          1HG2      ILE 103 -14.165  -4.568  -0.125
  822   2HG2  ILE 103          2HG2      ILE 103 -15.842  -5.109  -0.064
  823   3HG2  ILE 103          3HG2      ILE 103 -15.023  -4.608   1.415
  824   1HD1  ILE 103          1HD1      ILE 103 -13.704  -1.261   1.614
  825   2HD1  ILE 103          2HD1      ILE 103 -15.277  -0.664   1.085
  826   3HD1  ILE 103          3HD1      ILE 103 -13.808  -0.108   0.284
  827    H    SER 104           H        SER 104 -18.638  -1.632  -0.190
  828    HA   SER 104           HA       SER 104 -18.371   0.580  -2.109
  829   1HB   SER 104          1HB       SER 104 -20.550  -0.384  -1.483
  830   2HB   SER 104          2HB       SER 104 -20.254   0.006   0.211
  831    HG   SER 104           HG       SER 104 -21.342   1.729  -0.411
  832    H    TYR 105           H        TYR 105 -19.137   2.779  -0.625
  833    HA   TYR 105           HA       TYR 105 -16.902   3.103   1.355
  834   1HB   TYR 105          1HB       TYR 105 -18.022   5.241  -0.488
  835   2HB   TYR 105          2HB       TYR 105 -16.520   5.293   0.430
  836    HD1  TYR 105           HD1      TYR 105 -15.453   2.554  -0.123
  837    HD2  TYR 105           HD2      TYR 105 -17.296   5.427  -2.730
  838    HE1  TYR 105           HE1      TYR 105 -14.247   1.574  -2.057
  839    HE2  TYR 105           HE2      TYR 105 -16.091   4.448  -4.662
  840    HH   TYR 105           HH       TYR 105 -14.672   1.480  -4.630
  841    H    GLY 106           H        GLY 106 -19.774   4.963   0.287
  842   1HA   GLY 106          1HA       GLY 106 -21.629   4.771   2.163
  843   2HA   GLY 106          2HA       GLY 106 -20.377   5.543   3.135
  844    H    ASP 107           H        ASP 107 -22.653   6.947   2.916
  845    HA   ASP 107           HA       ASP 107 -23.262   8.558   0.764
  846   1HB   ASP 107          1HB       ASP 107 -23.986  10.189   2.516
  847   2HB   ASP 107          2HB       ASP 107 -24.426   8.531   2.927
  848    H    ASP 108           H        ASP 108 -20.442   8.874   2.875
  849    HA   ASP 108           HA       ASP 108 -19.692  11.533   2.092
  850   1HB   ASP 108          1HB       ASP 108 -18.662   9.243   3.599
  851   2HB   ASP 108          2HB       ASP 108 -17.379  10.128   2.774
  852    H    TYR 109           H        TYR 109 -18.703   8.319   0.853
  853    HA   TYR 109           HA       TYR 109 -17.298   9.707  -1.394
  854   1HB   TYR 109          1HB       TYR 109 -16.744   7.515   0.373
  855   2HB   TYR 109          2HB       TYR 109 -16.839   6.877  -1.268
  856    HD1  TYR 109           HD1      TYR 109 -14.606   6.533  -1.928
  857    HD2  TYR 109           HD2      TYR 109 -15.724  10.244  -0.076
  858    HE1  TYR 109           HE1      TYR 109 -12.354   7.452  -2.411
  859    HE2  TYR 109           HE2      TYR 109 -13.472  11.163  -0.559
  860    HH   TYR 109           HH       TYR 109 -10.897   9.485  -1.160
  861    H    TRP 110           H        TRP 110 -18.541   9.818  -3.215
  862    HA   TRP 110           HA       TRP 110 -19.985   9.189  -4.956
  863   1HB   TRP 110          1HB       TRP 110 -18.389   7.439  -5.295
  864   2HB   TRP 110          2HB       TRP 110 -18.949   6.546  -3.889
  865    HD1  TRP 110           HD1      TRP 110 -21.148   5.125  -4.102
  866    HE1  TRP 110           HE1      TRP 110 -22.483   4.281  -6.144
  867    HE3  TRP 110           HE3      TRP 110 -19.115   8.055  -7.756
  868    HZ2  TRP 110           HZ2      TRP 110 -22.661   4.786  -8.955
  869    HZ3  TRP 110           HZ3      TRP 110 -19.883   7.854 -10.104
  870    HH2  TRP 110           HH2      TRP 110 -21.652   6.225 -10.708
  871    H    LEU 111           H        LEU 111 -20.737   6.465  -2.771
  872    HA   LEU 111           HA       LEU 111 -23.489   6.405  -3.138
  873   1HB   LEU 111          1HB       LEU 111 -21.714   5.024  -1.699
  874   2HB   LEU 111          2HB       LEU 111 -22.346   6.017  -0.389
  875    HG   LEU 111           HG       LEU 111 -24.619   5.242  -0.846
  876   1HD1  LEU 111          1HD1      LEU 111 -23.263   3.918  -3.191
  877   2HD1  LEU 111          2HD1      LEU 111 -24.723   4.910  -3.175
  878   3HD1  LEU 111          3HD1      LEU 111 -24.765   3.265  -2.536
  879   1HD2  LEU 111          1HD2      LEU 111 -24.376   3.086   0.053
  880   2HD2  LEU 111          2HD2      LEU 111 -22.848   3.852   0.486
  881   3HD2  LEU 111          3HD2      LEU 111 -22.925   2.754  -0.892
  882    H    SER 112           H        SER 112 -25.263   7.136  -1.657
  883    HA   SER 112           HA       SER 112 -24.693   9.570  -0.064
  884   1HB   SER 112          1HB       SER 112 -25.547  11.027  -1.612
  885   2HB   SER 112          2HB       SER 112 -25.208   9.731  -2.760
  886    HG   SER 112           HG       SER 112 -27.267   9.300  -2.914
  887    H    ARG 113           H        ARG 113 -25.855   9.233   1.781
  888    HA   ARG 113           HA       ARG 113 -27.570   8.479   3.225
  889   1HB   ARG 113          1HB       ARG 113 -28.446  10.315   1.426
  890   2HB   ARG 113          2HB       ARG 113 -29.543   8.985   1.052
  891   1HG   ARG 113          1HG       ARG 113 -30.702  10.095   2.753
  892   2HG   ARG 113          2HG       ARG 113 -29.832   8.856   3.660
  893   1HD   ARG 113          1HD       ARG 113 -27.944  10.712   3.786
  894   2HD   ARG 113          2HD       ARG 113 -29.310  11.810   3.509
  895    HE   ARG 113           HE       ARG 113 -30.073   9.880   5.472
  896   1HH1  ARG 113          1HH1      ARG 113 -27.930  12.591   5.053
  897   2HH1  ARG 113          2HH1      ARG 113 -27.960  13.014   6.729
  898   1HH2  ARG 113          1HH2      ARG 113 -30.096  10.449   7.643
  899   2HH2  ARG 113          2HH2      ARG 113 -29.176  11.813   8.186
  900    HA   PRO 114           HA       PRO 114 -28.272   4.601   0.613
  901   1HB   PRO 114          1HB       PRO 114 -26.293   2.994   1.618
  902   2HB   PRO 114          2HB       PRO 114 -26.054   4.042   0.207
  903   1HG   PRO 114          1HG       PRO 114 -25.234   4.450   3.040
  904   2HG   PRO 114          2HG       PRO 114 -24.370   4.851   1.549
  905   1HD   PRO 114          1HD       PRO 114 -25.743   6.673   3.072
  906   2HD   PRO 114          2HD       PRO 114 -25.437   6.861   1.333
  907    H    ARG 115           H        ARG 115 -29.473   2.857   1.489
  908    HA   ARG 115           HA       ARG 115 -29.561   2.682   4.483
  909   1HB   ARG 115          1HB       ARG 115 -31.748   2.836   2.394
  910   2HB   ARG 115          2HB       ARG 115 -32.064   2.243   4.025
  911   1HG   ARG 115          1HG       ARG 115 -30.894   4.954   3.323
  912   2HG   ARG 115          2HG       ARG 115 -32.545   4.656   3.864
  913   1HD   ARG 115          1HD       ARG 115 -31.201   3.426   5.868
  914   2HD   ARG 115          2HD       ARG 115 -30.020   4.678   5.437
  915    HE   ARG 115           HE       ARG 115 -32.763   5.680   5.583
  916   1HH1  ARG 115          1HH1      ARG 115 -29.860   4.970   7.368
  917   2HH1  ARG 115          2HH1      ARG 115 -30.223   6.104   8.622
  918   1HH2  ARG 115          1HH2      ARG 115 -33.212   7.145   7.223
  919   2HH2  ARG 115          2HH2      ARG 115 -32.105   7.327   8.543
  920    H    LEU 116           H        LEU 116 -30.152   1.030   1.384
  921    HA   LEU 116           HA       LEU 116 -30.208  -1.275   0.857
  922   1HB   LEU 116          1HB       LEU 116 -28.052  -0.672   2.785
  923   2HB   LEU 116          2HB       LEU 116 -28.484  -2.380   2.705
  924    HG   LEU 116           HG       LEU 116 -28.439  -1.777   0.059
  925   1HD1  LEU 116          1HD1      LEU 116 -26.073  -0.483   0.064
  926   2HD1  LEU 116          2HD1      LEU 116 -26.798   0.247   1.497
  927   3HD1  LEU 116          3HD1      LEU 116 -27.615   0.364  -0.062
  928   1HD2  LEU 116          1HD2      LEU 116 -27.210  -3.569   1.434
  929   2HD2  LEU 116          2HD2      LEU 116 -25.896  -2.401   1.568
  930   3HD2  LEU 116          3HD2      LEU 116 -26.394  -2.990  -0.018
  931    H    THR 117           H        THR 117 -32.297  -0.396   2.685
  932    HA   THR 117           HA       THR 117 -32.663  -2.925   4.256
  933    HB   THR 117           HB       THR 117 -33.576  -0.122   4.996
  934    HG1  THR 117           HG1      THR 117 -31.659   0.162   5.756
  935   1HG2  THR 117          1HG2      THR 117 -34.755  -2.228   5.911
  936   2HG2  THR 117          2HG2      THR 117 -34.174  -1.055   7.093
  937   3HG2  THR 117          3HG2      THR 117 -33.257  -2.531   6.791
  938    H    GLN 118           H        GLN 118 -34.886  -3.636   4.413
  939    HA   GLN 118           HA       GLN 118 -36.743  -2.333   2.447
  940   1HB   GLN 118          1HB       GLN 118 -35.504  -4.890   2.431
  941   2HB   GLN 118          2HB       GLN 118 -37.203  -5.166   2.815
  942   1HG   GLN 118          1HG       GLN 118 -36.370  -3.353   0.548
  943   2HG   GLN 118          2HG       GLN 118 -36.561  -5.091   0.317
  944   1HE2  GLN 118          1HE2      GLN 118 -38.459  -4.730  -1.080
  945   2HE2  GLN 118          2HE2      GLN 118 -39.950  -4.264  -0.417
  946    H    ASN 119           H        ASN 119 -38.862  -2.076   3.168
  947    HA   ASN 119           HA       ASN 119 -39.653  -3.384   5.733
  948   1HB   ASN 119          1HB       ASN 119 -40.405  -1.150   6.540
  949   2HB   ASN 119          2HB       ASN 119 -38.672  -1.165   6.214
  950   1HD2  ASN 119          1HD2      ASN 119 -37.942   0.511   4.891
  951   2HD2  ASN 119          2HD2      ASN 119 -38.916   1.411   3.833
  952   1H    GLY 201          1H        GLY 201 -21.059  36.159  -9.164
  953   2H    GLY 201          2H        GLY 201 -19.881  35.072  -8.601
  954   3H    GLY 201          3H        GLY 201 -20.748  36.032  -7.499
  955   1HA   GLY 201          1HA       GLY 201 -22.812  34.896  -8.163
  956   2HA   GLY 201          2HA       GLY 201 -21.833  33.837  -9.179
  957    H    LYS 202           H        LYS 202 -23.417  32.931  -6.960
  958    HA   LYS 202           HA       LYS 202 -21.237  31.963  -5.139
  959   1HB   LYS 202          1HB       LYS 202 -23.327  33.661  -4.518
  960   2HB   LYS 202          2HB       LYS 202 -23.988  32.087  -4.075
  961   1HG   LYS 202          1HG       LYS 202 -22.816  32.258  -2.152
  962   2HG   LYS 202          2HG       LYS 202 -21.359  32.031  -3.120
  963   1HD   LYS 202          1HD       LYS 202 -22.642  34.745  -2.763
  964   2HD   LYS 202          2HD       LYS 202 -21.430  34.128  -1.640
  965   1HE   LYS 202          1HE       LYS 202 -19.774  33.976  -3.396
  966   2HE   LYS 202          2HE       LYS 202 -20.989  34.320  -4.641
  967   1HZ   LYS 202          1HZ       LYS 202 -20.312  36.133  -2.380
  968   2HZ   LYS 202          2HZ       LYS 202 -21.388  36.465  -3.651
  969   3HZ   LYS 202          3HZ       LYS 202 -19.725  36.318  -3.962
  970    H    ALA 203           H        ALA 203 -20.986  29.807  -5.594
  971    HA   ALA 203           HA       ALA 203 -21.536  27.560  -6.071
  972   1HB   ALA 203          1HB       ALA 203 -22.669  28.078  -3.852
  973   2HB   ALA 203          2HB       ALA 203 -23.427  26.776  -4.770
  974   3HB   ALA 203          3HB       ALA 203 -24.149  28.385  -4.760
  975    HA   PRO 204           HA       PRO 204 -23.771  28.757  -9.896
  976   1HB   PRO 204          1HB       PRO 204 -22.341  26.342 -10.879
  977   2HB   PRO 204          2HB       PRO 204 -22.387  27.975 -11.567
  978   1HG   PRO 204          1HG       PRO 204 -20.217  27.000 -10.321
  979   2HG   PRO 204          2HG       PRO 204 -20.656  28.713 -10.264
  980   1HD   PRO 204          1HD       PRO 204 -20.934  26.616  -8.171
  981   2HD   PRO 204          2HD       PRO 204 -20.594  28.351  -8.001
  982    H    ARG 205           H        ARG 205 -23.274  25.478  -8.570
  983    HA   ARG 205           HA       ARG 205 -26.132  24.880  -9.264
  984   1HB   ARG 205          1HB       ARG 205 -23.601  23.583  -9.953
  985   2HB   ARG 205          2HB       ARG 205 -24.719  22.463  -9.175
  986   1HG   ARG 205          1HG       ARG 205 -25.824  22.287 -11.129
  987   2HG   ARG 205          2HG       ARG 205 -26.264  23.989 -10.990
  988   1HD   ARG 205          1HD       ARG 205 -24.711  24.631 -12.546
  989   2HD   ARG 205          2HD       ARG 205 -23.496  23.493 -11.933
  990    HE   ARG 205           HE       ARG 205 -25.595  21.962 -13.074
  991   1HH1  ARG 205          1HH1      ARG 205 -23.157  24.245 -14.057
  992   2HH1  ARG 205          2HH1      ARG 205 -23.022  23.583 -15.649
  993   1HH2  ARG 205          1HH2      ARG 205 -25.401  21.120 -15.147
  994   2HH2  ARG 205          2HH2      ARG 205 -24.282  21.827 -16.263
  995    H    LYS 206           H        LYS 206 -24.678  25.812  -6.713
  996    HA   LYS 206           HA       LYS 206 -24.747  25.309  -4.404
  997   1HB   LYS 206          1HB       LYS 206 -27.176  24.391  -5.770
  998   2HB   LYS 206          2HB       LYS 206 -26.882  23.518  -4.266
  999   1HG   LYS 206          1HG       LYS 206 -26.617  25.698  -3.090
 1000   2HG   LYS 206          2HG       LYS 206 -27.009  26.531  -4.594
 1001   1HD   LYS 206          1HD       LYS 206 -28.812  24.569  -3.142
 1002   2HD   LYS 206          2HD       LYS 206 -29.007  26.322  -3.159
 1003   1HE   LYS 206          1HE       LYS 206 -28.942  25.949  -5.805
 1004   2HE   LYS 206          2HE       LYS 206 -29.521  24.337  -5.342
 1005   1HZ   LYS 206          1HZ       LYS 206 -31.096  25.590  -3.806
 1006   2HZ   LYS 206          2HZ       LYS 206 -31.449  25.646  -5.467
 1007   3HZ   LYS 206          3HZ       LYS 206 -30.713  26.976  -4.710
 1008    H    GLN 207           H        GLN 207 -22.674  23.969  -5.064
 1009    HA   GLN 207           HA       GLN 207 -23.050  21.041  -4.938
 1010   1HB   GLN 207          1HB       GLN 207 -20.996  23.020  -5.668
 1011   2HB   GLN 207          2HB       GLN 207 -20.340  21.625  -4.812
 1012   1HG   GLN 207          1HG       GLN 207 -22.237  21.360  -7.156
 1013   2HG   GLN 207          2HG       GLN 207 -20.484  21.393  -7.349
 1014   1HE2  GLN 207          1HE2      GLN 207 -19.424  19.799  -5.491
 1015   2HE2  GLN 207          2HE2      GLN 207 -20.114  18.248  -5.475
 1016    H    LEU 208           H        LEU 208 -23.616  20.422  -2.841
 1017    HA   LEU 208           HA       LEU 208 -22.676  21.679  -0.439
 1018   1HB   LEU 208          1HB       LEU 208 -24.484  19.691  -1.252
 1019   2HB   LEU 208          2HB       LEU 208 -23.339  18.843  -0.212
 1020    HG   LEU 208           HG       LEU 208 -25.204  19.768   1.113
 1021   1HD1  LEU 208          1HD1      LEU 208 -22.591  19.871   1.750
 1022   2HD1  LEU 208          2HD1      LEU 208 -23.849  20.463   2.836
 1023   3HD1  LEU 208          3HD1      LEU 208 -22.958  21.594   1.817
 1024   1HD2  LEU 208          1HD2      LEU 208 -25.878  21.976   1.017
 1025   2HD2  LEU 208          2HD2      LEU 208 -25.302  21.783  -0.639
 1026   3HD2  LEU 208          3HD2      LEU 208 -24.273  22.555   0.568
 1027    H    ALA 209           H        ALA 209 -20.367  21.826  -0.503
 1028    HA   ALA 209           HA       ALA 209 -18.642  19.582  -1.085
 1029   1HB   ALA 209          1HB       ALA 209 -17.804  21.807  -1.322
 1030   2HB   ALA 209          2HB       ALA 209 -16.984  21.173   0.106
 1031   3HB   ALA 209          3HB       ALA 209 -18.356  22.267   0.289
 1032    H    THR 210           H        THR 210 -17.660  18.128   0.353
 1033    HA   THR 210           HA       THR 210 -18.605  18.238   3.201
 1034    HB   THR 210           HB       THR 210 -18.237  15.632   2.843
 1035    HG1  THR 210           HG1      THR 210 -18.852  15.201   0.598
 1036   1HG2  THR 210          1HG2      THR 210 -20.599  16.806   1.396
 1037   2HG2  THR 210          2HG2      THR 210 -20.409  17.072   3.129
 1038   3HG2  THR 210          3HG2      THR 210 -20.545  15.431   2.499
 1039    H    LYS 211           H        LYS 211 -16.559  19.396   3.690
 1040    HA   LYS 211           HA       LYS 211 -14.012  18.004   3.208
 1041   1HB   LYS 211          1HB       LYS 211 -14.812  20.474   4.792
 1042   2HB   LYS 211          2HB       LYS 211 -13.148  19.994   4.463
 1043   1HG   LYS 211          1HG       LYS 211 -15.170  20.423   2.256
 1044   2HG   LYS 211          2HG       LYS 211 -14.158  21.729   2.872
 1045   1HD   LYS 211          1HD       LYS 211 -12.420  19.547   2.437
 1046   2HD   LYS 211          2HD       LYS 211 -13.468  19.619   1.020
 1047   1HE   LYS 211          1HE       LYS 211 -12.199  22.134   2.113
 1048   2HE   LYS 211          2HE       LYS 211 -11.318  21.082   0.989
 1049   1HZ   LYS 211          1HZ       LYS 211 -12.687  22.797  -0.142
 1050   2HZ   LYS 211          2HZ       LYS 211 -14.078  22.098   0.536
 1051   3HZ   LYS 211          3HZ       LYS 211 -13.130  21.212  -0.560
 1052    H    ALA 212           H        ALA 212 -15.084  16.061   4.500
 1053    HA   ALA 212           HA       ALA 212 -13.856  16.050   7.157
 1054   1HB   ALA 212          1HB       ALA 212 -16.210  15.449   8.139
 1055   2HB   ALA 212          2HB       ALA 212 -16.834  16.237   6.690
 1056   3HB   ALA 212          3HB       ALA 212 -15.842  17.146   7.829
 1057    H    ALA 213           H        ALA 213 -12.953  14.037   7.164
 1058    HA   ALA 213           HA       ALA 213 -12.694  11.713   6.839
 1059   1HB   ALA 213          1HB       ALA 213 -14.710  11.924   8.364
 1060   2HB   ALA 213          2HB       ALA 213 -14.698  10.454   7.391
 1061   3HB   ALA 213          3HB       ALA 213 -15.730  11.808   6.930
 1062    H    ARG 214           H        ARG 214 -13.438   9.859   5.314
 1063    HA   ARG 214           HA       ARG 214 -14.506  10.892   2.726
 1064   1HB   ARG 214          1HB       ARG 214 -11.788   9.836   3.397
 1065   2HB   ARG 214          2HB       ARG 214 -12.468   9.376   1.837
 1066   1HG   ARG 214          1HG       ARG 214 -12.385  11.520   1.017
 1067   2HG   ARG 214          2HG       ARG 214 -12.700  12.245   2.594
 1068   1HD   ARG 214          1HD       ARG 214 -10.373  11.660   3.295
 1069   2HD   ARG 214          2HD       ARG 214 -10.069  11.037   1.662
 1070    HE   ARG 214           HE       ARG 214 -10.277  13.852   2.406
 1071   1HH1  ARG 214          1HH1      ARG 214 -10.774  11.513  -0.123
 1072   2HH1  ARG 214          2HH1      ARG 214 -10.624  12.684  -1.387
 1073   1HH2  ARG 214          1HH2      ARG 214 -10.086  15.354   0.749
 1074   2HH2  ARG 214          2HH2      ARG 214 -10.237  14.843  -0.899
 1075   1HN   MLZ 215          1HN       MLZ 215 -12.838   7.810   3.301
 1076    HA   MLZ 215           HA       MLZ 215 -15.217   6.342   2.403
 1077   1HB   MLZ 215          1HB       MLZ 215 -12.360   5.991   2.668
 1078   2HB   MLZ 215          2HB       MLZ 215 -13.189   4.624   3.412
 1079   1HG   MLZ 215          1HG       MLZ 215 -14.281   5.513   0.803
 1080   2HG   MLZ 215          2HG       MLZ 215 -14.024   3.880   1.418
 1081   1HD   MLZ 215          1HD       MLZ 215 -11.789   5.721   0.518
 1082   2HD   MLZ 215          2HD       MLZ 215 -11.647   4.019   0.955
 1083   1HE   MLZ 215          1HE       MLZ 215 -13.287   5.080  -1.377
 1084   2HE   MLZ 215          2HE       MLZ 215 -13.032   3.374  -0.964
 1085    HZ   MLZ 215           HZ       MLZ 215 -10.688   3.635  -1.262
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -11.553   5.146  -3.595
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -12.430   3.657  -3.262
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -10.687   3.616  -3.505
 1089    H    SER 216           H        SER 216 -16.771   5.604   3.786
 1090    HA   SER 216           HA       SER 216 -17.797   4.817   5.764
 1091   1HB   SER 216          1HB       SER 216 -15.801   6.798   6.922
 1092   2HB   SER 216          2HB       SER 216 -17.341   7.247   6.188
 1093    HG   SER 216           HG       SER 216 -17.595   7.074   8.408
 1094    H    ALA 217           H        ALA 217 -16.572   4.642   8.384
 1095    HA   ALA 217           HA       ALA 217 -15.258   2.065   8.134
 1096   1HB   ALA 217          1HB       ALA 217 -13.467   3.637   7.414
 1097   2HB   ALA 217          2HB       ALA 217 -13.042   2.836   8.927
 1098   3HB   ALA 217          3HB       ALA 217 -13.624   4.501   8.943
 1099    HA   PRO 218           HA       PRO 218 -16.868   1.770  12.220
 1100   1HB   PRO 218          1HB       PRO 218 -14.488   0.101  12.870
 1101   2HB   PRO 218          2HB       PRO 218 -16.209  -0.311  12.973
 1102   1HG   PRO 218          1HG       PRO 218 -14.613  -1.292  11.053
 1103   2HG   PRO 218          2HG       PRO 218 -16.323  -0.937  10.773
 1104   1HD   PRO 218          1HD       PRO 218 -13.910   0.562   9.895
 1105   2HD   PRO 218          2HD       PRO 218 -15.482   0.371   9.092
 1106    H    ALA 219           H        ALA 219 -15.702   1.732  14.625
 1107    HA   ALA 219           HA       ALA 219 -13.333   3.443  14.806
 1108   1HB   ALA 219          1HB       ALA 219 -15.081   5.043  14.135
 1109   2HB   ALA 219          2HB       ALA 219 -14.620   5.342  15.811
 1110   3HB   ALA 219          3HB       ALA 219 -16.118   4.486  15.448
 1111    H    THR 220           H        THR 220 -12.361   2.481  16.548
 1112    HA   THR 220           HA       THR 220 -14.019   2.003  18.995
 1113    HB   THR 220           HB       THR 220 -13.730  -0.088  17.693
 1114    HG1  THR 220           HG1      THR 220 -13.625  -0.113  20.009
 1115   1HG2  THR 220          1HG2      THR 220 -11.671   0.521  16.506
 1116   2HG2  THR 220          2HG2      THR 220 -11.433  -0.991  17.384
 1117   3HG2  THR 220          3HG2      THR 220 -10.774   0.514  18.025
 1118    H    GLY 221           H        GLY 221 -11.978   0.988  20.598
 1119   1HA   GLY 221          1HA       GLY 221 -10.118   1.641  21.872
 1120   2HA   GLY 221          2HA       GLY 221  -9.510   2.445  20.425
 1121   1H    MET   1          1H        MET   1  -0.581 -12.255   7.677
 1122   2H    MET   1          2H        MET   1   0.159 -11.401   6.410
 1123   3H    MET   1          3H        MET   1  -0.503 -10.560   7.728
 1124    HA   MET   1           HA       MET   1   2.015 -10.824   7.702
 1125   1HB   MET   1          1HB       MET   1  -0.072 -11.105   9.742
 1126   2HB   MET   1          2HB       MET   1   1.468 -11.780  10.268
 1127   1HG   MET   1          1HG       MET   1   2.126  -9.674  10.736
 1128   2HG   MET   1          2HG       MET   1   2.143  -9.376   8.999
 1129   1HE   MET   1          1HE       MET   1  -0.268  -6.798   8.410
 1130   2HE   MET   1          2HE       MET   1   0.575  -8.169   7.688
 1131   3HE   MET   1          3HE       MET   1   1.459  -7.020   8.692
 1132    H    PHE   2           H        PHE   2   3.726 -12.314   8.125
 1133    HA   PHE   2           HA       PHE   2   4.793 -14.415   7.973
 1134   1HB   PHE   2          1HB       PHE   2   3.830 -14.586  10.199
 1135   2HB   PHE   2          2HB       PHE   2   2.262 -15.019   9.531
 1136    HD1  PHE   2           HD1      PHE   2   1.840 -17.228  10.208
 1137    HD2  PHE   2           HD2      PHE   2   5.693 -16.201   8.612
 1138    HE1  PHE   2           HE1      PHE   2   2.486 -19.622  10.230
 1139    HE2  PHE   2           HE2      PHE   2   6.339 -18.596   8.633
 1140    HZ   PHE   2           HZ       PHE   2   4.736 -20.306   9.442
 1141    H    ASN   3           H        ASN   3   4.065 -14.099   5.563
 1142    HA   ASN   3           HA       ASN   3   1.959 -15.991   4.701
 1143   1HB   ASN   3          1HB       ASN   3   3.857 -14.163   3.181
 1144   2HB   ASN   3          2HB       ASN   3   2.453 -14.981   2.496
 1145   1HD2  ASN   3          1HD2      ASN   3   0.358 -14.082   2.921
 1146   2HD2  ASN   3          2HD2      ASN   3   0.135 -12.628   3.769
 1147    H    ASP   4           H        ASP   4   3.812 -17.508   5.917
 1148    HA   ASP   4           HA       ASP   4   5.333 -19.280   5.624
 1149   1HB   ASP   4          1HB       ASP   4   3.491 -20.013   4.233
 1150   2HB   ASP   4          2HB       ASP   4   4.034 -18.991   2.904
 1151    H    ARG   5           H        ARG   5   5.705 -18.239   2.265
 1152    HA   ARG   5           HA       ARG   5   8.493 -18.412   2.172
 1153   1HB   ARG   5          1HB       ARG   5   6.627 -16.501   0.717
 1154   2HB   ARG   5          2HB       ARG   5   8.235 -16.970   0.168
 1155   1HG   ARG   5          1HG       ARG   5   6.976 -19.402   0.669
 1156   2HG   ARG   5          2HG       ARG   5   5.707 -18.416  -0.058
 1157   1HD   ARG   5          1HD       ARG   5   6.738 -18.400  -2.099
 1158   2HD   ARG   5          2HD       ARG   5   8.348 -18.195  -1.382
 1159    HE   ARG   5           HE       ARG   5   7.645 -20.753  -0.622
 1160   1HH1  ARG   5          1HH1      ARG   5   7.722 -19.067  -3.667
 1161   2HH1  ARG   5          2HH1      ARG   5   8.043 -20.501  -4.578
 1162   1HH2  ARG   5          1HH2      ARG   5   8.061 -22.601  -1.828
 1163   2HH2  ARG   5          2HH2      ARG   5   8.234 -22.487  -3.547
 1164    H    VAL   6           H        VAL   6   6.506 -15.667   3.262
 1165    HA   VAL   6           HA       VAL   6   8.950 -14.456   4.434
 1166    HB   VAL   6           HB       VAL   6   7.154 -13.137   2.364
 1167   1HG1  VAL   6          1HG1      VAL   6   9.264 -11.448   2.730
 1168   2HG1  VAL   6          2HG1      VAL   6   9.047 -12.061   4.370
 1169   3HG1  VAL   6          3HG1      VAL   6   7.709 -11.263   3.543
 1170   1HG2  VAL   6          1HG2      VAL   6   8.707 -14.551   1.246
 1171   2HG2  VAL   6          2HG2      VAL   6  10.010 -14.125   2.356
 1172   3HG2  VAL   6          3HG2      VAL   6   9.429 -12.943   1.184
 1173    H    ILE   7           H        ILE   7   8.481 -13.344   6.307
 1174    HA   ILE   7           HA       ILE   7   5.585 -12.953   6.982
 1175    HB   ILE   7           HB       ILE   7   6.816 -14.635   8.321
 1176   1HG1  ILE   7          1HG1      ILE   7   6.542 -12.184  10.058
 1177   2HG1  ILE   7          2HG1      ILE   7   5.124 -12.941   9.333
 1178   1HG2  ILE   7          1HG2      ILE   7   8.868 -12.591   8.182
 1179   2HG2  ILE   7          2HG2      ILE   7   9.012 -14.283   8.661
 1180   3HG2  ILE   7          3HG2      ILE   7   8.565 -13.063   9.854
 1181   1HD1  ILE   7          1HD1      ILE   7   5.488 -13.862  11.569
 1182   2HD1  ILE   7          2HD1      ILE   7   7.147 -14.288  11.149
 1183   3HD1  ILE   7          3HD1      ILE   7   5.798 -15.109  10.361
 1184    H    VAL   8           H        VAL   8   5.163 -11.037   8.397
 1185    HA   VAL   8           HA       VAL   8   6.982  -8.775   7.675
 1186    HB   VAL   8           HB       VAL   8   4.060  -8.942   8.503
 1187   1HG1  VAL   8          1HG1      VAL   8   5.787  -6.570   7.739
 1188   2HG1  VAL   8          2HG1      VAL   8   4.979  -6.836   9.283
 1189   3HG1  VAL   8          3HG1      VAL   8   4.027  -6.518   7.833
 1190   1HG2  VAL   8          1HG2      VAL   8   5.070  -7.934   5.865
 1191   2HG2  VAL   8          2HG2      VAL   8   3.527  -8.695   6.252
 1192   3HG2  VAL   8          3HG2      VAL   8   4.990  -9.675   6.137
 1193    H    LYS   9           H        LYS   9   8.273  -8.077   9.322
 1194    HA   LYS   9           HA       LYS   9   7.299  -8.432  12.132
 1195   1HB   LYS   9          1HB       LYS   9  10.090  -8.319  10.946
 1196   2HB   LYS   9          2HB       LYS   9   9.734  -8.542  12.657
 1197   1HG   LYS   9          1HG       LYS   9   8.159 -10.437  11.257
 1198   2HG   LYS   9          2HG       LYS   9   9.776 -10.512  10.557
 1199   1HD   LYS   9          1HD       LYS   9  10.727 -10.715  12.845
 1200   2HD   LYS   9          2HD       LYS   9   9.091 -10.718  13.503
 1201   1HE   LYS   9          1HE       LYS   9   8.592 -12.746  12.090
 1202   2HE   LYS   9          2HE       LYS   9  10.307 -12.787  11.639
 1203   1HZ   LYS   9          1HZ       LYS   9   9.190 -12.876  14.396
 1204   2HZ   LYS   9          2HZ       LYS   9  10.846 -12.767  14.033
 1205   3HZ   LYS   9          3HZ       LYS   9   9.968 -14.150  13.585
 1206    H    LYS  10           H        LYS  10   7.902  -4.960  12.892
 1207    HA   LYS  10           HA       LYS  10   7.106  -6.044  14.800
 1208   1HB   LYS  10          1HB       LYS  10   5.816  -7.171  12.402
 1209   2HB   LYS  10          2HB       LYS  10   5.686  -8.194  13.832
 1210   1HG   LYS  10          1HG       LYS  10   4.485  -6.599  15.028
 1211   2HG   LYS  10          2HG       LYS  10   5.144  -5.255  14.095
 1212   1HD   LYS  10          1HD       LYS  10   3.776  -5.803  12.193
 1213   2HD   LYS  10          2HD       LYS  10   3.280  -7.333  12.918
 1214   1HE   LYS  10          1HE       LYS  10   2.169  -6.051  14.764
 1215   2HE   LYS  10          2HE       LYS  10   2.576  -4.548  13.914
 1216   1HZ   LYS  10          1HZ       LYS  10   1.368  -5.269  12.008
 1217   2HZ   LYS  10          2HZ       LYS  10   0.342  -5.484  13.344
 1218   3HZ   LYS  10          3HZ       LYS  10   1.131  -6.821  12.656
 1219    H    SER  11           H        SER  11   9.615  -6.651  14.835
 1220    HA   SER  11           HA       SER  11   9.842  -9.641  14.930
 1221   1HB   SER  11          1HB       SER  11  12.394  -8.781  14.886
 1222   2HB   SER  11          2HB       SER  11  11.464  -8.984  13.404
 1223    HG   SER  11           HG       SER  11  12.554  -6.908  13.699
 1224    HA   PRO  12           HA       PRO  12  10.795  -9.677  19.208
 1225   1HB   PRO  12          1HB       PRO  12  13.602 -10.545  18.736
 1226   2HB   PRO  12          2HB       PRO  12  12.313 -11.361  19.637
 1227   1HG   PRO  12          1HG       PRO  12  13.148 -12.209  17.229
 1228   2HG   PRO  12          2HG       PRO  12  11.471 -12.374  17.766
 1229   1HD   PRO  12          1HD       PRO  12  12.655 -10.474  15.811
 1230   2HD   PRO  12          2HD       PRO  12  11.037 -11.205  15.846
 1231    H    LEU  13           H        LEU  13  13.262  -8.217  17.134
 1232    HA   LEU  13           HA       LEU  13  14.432  -6.623  19.299
 1233   1HB   LEU  13          1HB       LEU  13  14.931  -7.344  16.533
 1234   2HB   LEU  13          2HB       LEU  13  15.114  -5.603  16.746
 1235    HG   LEU  13           HG       LEU  13  16.345  -7.469  18.752
 1236   1HD1  LEU  13          1HD1      LEU  13  18.335  -7.711  17.428
 1237   2HD1  LEU  13          2HD1      LEU  13  17.720  -6.612  16.194
 1238   3HD1  LEU  13          3HD1      LEU  13  16.986  -8.202  16.402
 1239   1HD2  LEU  13          1HD2      LEU  13  17.268  -4.817  17.610
 1240   2HD2  LEU  13          2HD2      LEU  13  17.878  -5.625  19.054
 1241   3HD2  LEU  13          3HD2      LEU  13  16.245  -4.960  19.039
 1242    H    GLY  14           H        GLY  14  12.128  -6.108  16.641
 1243   1HA   GLY  14          1HA       GLY  14  10.303  -4.445  17.224
 1244   2HA   GLY  14          2HA       GLY  14  11.604  -3.380  17.755
 1245    H    GLY  15           H        GLY  15  10.584  -1.903  16.100
 1246   1HA   GLY  15          1HA       GLY  15  10.899  -0.787  14.049
 1247   2HA   GLY  15          2HA       GLY  15  12.115  -1.997  13.637
 1248    H    TYR  16           H        TYR  16  10.720  -1.495  11.517
 1249    HA   TYR  16           HA       TYR  16   8.629  -3.640  11.372
 1250   1HB   TYR  16          1HB       TYR  16   8.426  -0.810  11.044
 1251   2HB   TYR  16          2HB       TYR  16   8.191  -1.541   9.457
 1252    HD1  TYR  16           HD1      TYR  16   6.425  -3.292   9.139
 1253    HD2  TYR  16           HD2      TYR  16   6.803  -1.050  12.782
 1254    HE1  TYR  16           HE1      TYR  16   4.129  -3.966   9.791
 1255    HE2  TYR  16           HE2      TYR  16   4.507  -1.724  13.435
 1256    HH   TYR  16           HH       TYR  16   2.278  -2.631  11.637
 1257    H    GLY  17           H        GLY  17  10.722  -4.802  10.661
 1258   1HA   GLY  17          1HA       GLY  17  11.313  -4.240   7.784
 1259   2HA   GLY  17          2HA       GLY  17  12.419  -5.079   8.874
 1260    H    VAL  18           H        VAL  18  12.165  -6.668   6.897
 1261    HA   VAL  18           HA       VAL  18   9.762  -8.404   7.355
 1262    HB   VAL  18           HB       VAL  18  11.614  -8.000   4.986
 1263   1HG1  VAL  18          1HG1      VAL  18   9.629  -9.380   3.906
 1264   2HG1  VAL  18          2HG1      VAL  18   9.442  -9.989   5.550
 1265   3HG1  VAL  18          3HG1      VAL  18  10.967 -10.217   4.694
 1266   1HG2  VAL  18          1HG2      VAL  18  10.127  -6.468   4.266
 1267   2HG2  VAL  18          2HG2      VAL  18   9.433  -6.513   5.887
 1268   3HG2  VAL  18          3HG2      VAL  18   8.766  -7.535   4.614
 1269    H    PHE  19           H        PHE  19  10.141 -10.743   7.265
 1270    HA   PHE  19           HA       PHE  19  12.942 -11.503   8.028
 1271   1HB   PHE  19          1HB       PHE  19  10.316 -11.854   9.272
 1272   2HB   PHE  19          2HB       PHE  19  11.173 -13.384   9.096
 1273    HD1  PHE  19           HD1      PHE  19  12.638 -13.997  10.795
 1274    HD2  PHE  19           HD2      PHE  19  11.885  -9.827  10.088
 1275    HE1  PHE  19           HE1      PHE  19  14.087 -13.409  12.720
 1276    HE2  PHE  19           HE2      PHE  19  13.335  -9.239  12.012
 1277    HZ   PHE  19           HZ       PHE  19  14.436 -11.030  13.328
 1278    H    ALA  20           H        ALA  20  13.839 -12.999   6.683
 1279    HA   ALA  20           HA       ALA  20  12.167 -14.248   4.595
 1280   1HB   ALA  20          1HB       ALA  20  14.139 -14.179   3.449
 1281   2HB   ALA  20          2HB       ALA  20  15.025 -14.929   4.777
 1282   3HB   ALA  20          3HB       ALA  20  14.727 -13.191   4.787
 1283    H    ARG  21           H        ARG  21  11.007 -15.907   5.692
 1284    HA   ARG  21           HA       ARG  21  12.159 -17.761   7.561
 1285   1HB   ARG  21          1HB       ARG  21   9.676 -17.208   6.247
 1286   2HB   ARG  21          2HB       ARG  21  10.028 -18.922   6.025
 1287   1HG   ARG  21          1HG       ARG  21   8.949 -18.943   8.094
 1288   2HG   ARG  21          2HG       ARG  21  10.638 -18.826   8.587
 1289   1HD   ARG  21          1HD       ARG  21  10.389 -16.677   9.359
 1290   2HD   ARG  21          2HD       ARG  21   9.265 -16.238   8.059
 1291    HE   ARG  21           HE       ARG  21   7.483 -16.983   9.433
 1292   1HH1  ARG  21          1HH1      ARG  21  10.533 -18.210  10.579
 1293   2HH1  ARG  21          2HH1      ARG  21   9.844 -18.897  12.008
 1294   1HH2  ARG  21          1HH2      ARG  21   6.613 -17.883  11.295
 1295   2HH2  ARG  21          2HH2      ARG  21   7.642 -18.715  12.413
 1296    H    LYS  22           H        LYS  22  12.178 -17.543   4.078
 1297    HA   LYS  22           HA       LYS  22  13.069 -20.326   3.674
 1298   1HB   LYS  22          1HB       LYS  22  12.972 -17.961   1.759
 1299   2HB   LYS  22          2HB       LYS  22  12.972 -19.667   1.329
 1300   1HG   LYS  22          1HG       LYS  22  10.815 -19.315   3.120
 1301   2HG   LYS  22          2HG       LYS  22  10.730 -17.980   1.970
 1302   1HD   LYS  22          1HD       LYS  22   9.785 -19.425   0.517
 1303   2HD   LYS  22          2HD       LYS  22  11.355 -20.220   0.407
 1304   1HE   LYS  22          1HE       LYS  22   9.662 -20.932   2.761
 1305   2HE   LYS  22          2HE       LYS  22   9.155 -21.559   1.181
 1306   1HZ   LYS  22          1HZ       LYS  22  10.892 -22.897   2.474
 1307   2HZ   LYS  22          2HZ       LYS  22  11.981 -21.661   2.060
 1308   3HZ   LYS  22          3HZ       LYS  22  11.221 -22.567   0.841
 1309    H    SER  23           H        SER  23  16.543 -19.485   2.710
 1310    HA   SER  23           HA       SER  23  14.104 -21.078   2.050
 1311   1HB   SER  23          1HB       SER  23  16.573 -22.075   0.953
 1312   2HB   SER  23          2HB       SER  23  16.840 -21.624   2.638
 1313    HG   SER  23           HG       SER  23  16.020 -23.807   2.235
 1314    H    PHE  24           H        PHE  24  16.134 -18.619   0.767
 1315    HA   PHE  24           HA       PHE  24  14.932 -19.067  -1.935
 1316   1HB   PHE  24          1HB       PHE  24  15.951 -16.650  -0.409
 1317   2HB   PHE  24          2HB       PHE  24  15.495 -16.573  -2.110
 1318    HD1  PHE  24           HD1      PHE  24  13.166 -18.328  -2.272
 1319    HD2  PHE  24           HD2      PHE  24  14.277 -15.532   0.795
 1320    HE1  PHE  24           HE1      PHE  24  10.784 -18.093  -1.623
 1321    HE2  PHE  24           HE2      PHE  24  11.895 -15.298   1.443
 1322    HZ   PHE  24           HZ       PHE  24  10.149 -16.578   0.235
 1323    H    GLU  25           H        GLU  25  16.274 -18.846  -3.795
 1324    HA   GLU  25           HA       GLU  25  19.142 -19.437  -3.319
 1325   1HB   GLU  25          1HB       GLU  25  17.305 -20.529  -4.946
 1326   2HB   GLU  25          2HB       GLU  25  17.868 -19.254  -6.026
 1327   1HG   GLU  25          1HG       GLU  25  20.254 -20.162  -5.196
 1328   2HG   GLU  25          2HG       GLU  25  19.321 -21.643  -4.988
 1329    H    LYS  26           H        LYS  26  19.951 -18.376  -5.928
 1330    HA   LYS  26           HA       LYS  26  20.157 -15.501  -5.171
 1331   1HB   LYS  26          1HB       LYS  26  22.161 -17.009  -5.559
 1332   2HB   LYS  26          2HB       LYS  26  21.671 -17.121  -7.248
 1333   1HG   LYS  26          1HG       LYS  26  21.771 -14.612  -7.372
 1334   2HG   LYS  26          2HG       LYS  26  22.437 -14.606  -5.739
 1335   1HD   LYS  26          1HD       LYS  26  24.445 -15.571  -6.409
 1336   2HD   LYS  26          2HD       LYS  26  23.720 -16.343  -7.820
 1337   1HE   LYS  26          1HE       LYS  26  23.553 -13.403  -7.890
 1338   2HE   LYS  26          2HE       LYS  26  25.214 -14.025  -7.912
 1339   1HZ   LYS  26          1HZ       LYS  26  22.966 -14.772  -9.705
 1340   2HZ   LYS  26          2HZ       LYS  26  24.401 -15.675  -9.603
 1341   3HZ   LYS  26          3HZ       LYS  26  24.447 -14.066 -10.144
 1342    H    GLY  27           H        GLY  27  17.773 -15.445  -6.059
 1343   1HA   GLY  27          1HA       GLY  27  17.026 -13.911  -7.937
 1344   2HA   GLY  27          2HA       GLY  27  17.874 -15.015  -9.019
 1345    H    GLU  28           H        GLU  28  15.224 -14.922  -6.630
 1346    HA   GLU  28           HA       GLU  28  13.786 -16.933  -8.319
 1347   1HB   GLU  28          1HB       GLU  28  14.973 -17.306  -5.772
 1348   2HB   GLU  28          2HB       GLU  28  13.233 -17.231  -5.491
 1349   1HG   GLU  28          1HG       GLU  28  14.279 -18.891  -7.763
 1350   2HG   GLU  28          2HG       GLU  28  14.365 -19.529  -6.121
 1351    H    LEU  29           H        LEU  29  13.696 -13.860  -7.194
 1352    HA   LEU  29           HA       LEU  29  11.960 -12.282  -6.944
 1353   1HB   LEU  29          1HB       LEU  29  11.173 -14.028  -8.855
 1354   2HB   LEU  29          2HB       LEU  29   9.922 -14.342  -7.661
 1355    HG   LEU  29           HG       LEU  29  10.571 -11.715  -9.013
 1356   1HD1  LEU  29          1HD1      LEU  29   8.820 -13.763  -9.643
 1357   2HD1  LEU  29          2HD1      LEU  29   8.697 -12.098 -10.211
 1358   3HD1  LEU  29          3HD1      LEU  29   7.798 -12.611  -8.783
 1359   1HD2  LEU  29          1HD2      LEU  29  10.211 -11.110  -6.720
 1360   2HD2  LEU  29          2HD2      LEU  29   8.865 -12.240  -6.571
 1361   3HD2  LEU  29          3HD2      LEU  29   8.699 -10.795  -7.569
 1362    H    VAL  30           H        VAL  30  10.995 -11.671  -5.039
 1363    HA   VAL  30           HA       VAL  30  10.272 -13.840  -3.131
 1364    HB   VAL  30           HB       VAL  30  10.859 -10.871  -2.825
 1365   1HG1  VAL  30          1HG1      VAL  30   9.577 -11.186  -0.945
 1366   2HG1  VAL  30          2HG1      VAL  30  11.081 -11.869  -0.327
 1367   3HG1  VAL  30          3HG1      VAL  30   9.817 -12.933  -0.947
 1368   1HG2  VAL  30          1HG2      VAL  30  12.551 -13.115  -3.129
 1369   2HG2  VAL  30          2HG2      VAL  30  12.610 -12.690  -1.418
 1370   3HG2  VAL  30          3HG2      VAL  30  13.018 -11.486  -2.640
 1371    H    GLU  31           H        GLU  31   9.054 -10.493  -3.448
 1372    HA   GLU  31           HA       GLU  31   6.285 -11.611  -3.683
 1373   1HB   GLU  31          1HB       GLU  31   7.444  -9.593  -1.741
 1374   2HB   GLU  31          2HB       GLU  31   5.708  -9.733  -2.017
 1375   1HG   GLU  31          1HG       GLU  31   7.366 -12.158  -1.338
 1376   2HG   GLU  31          2HG       GLU  31   6.744 -11.103  -0.069
 1377    H    GLU  32           H        GLU  32   4.727 -10.005  -4.523
 1378    HA   GLU  32           HA       GLU  32   5.965  -7.660  -5.903
 1379   1HB   GLU  32          1HB       GLU  32   4.695  -8.372  -7.952
 1380   2HB   GLU  32          2HB       GLU  32   5.919  -9.546  -7.471
 1381   1HG   GLU  32          1HG       GLU  32   3.428 -10.081  -6.100
 1382   2HG   GLU  32          2HG       GLU  32   3.163 -10.020  -7.842
 1383    H    CYS  33           H        CYS  33   4.565  -5.882  -6.023
 1384    HA   CYS  33           HA       CYS  33   1.692  -6.251  -5.360
 1385   1HB   CYS  33          1HB       CYS  33   1.936  -4.586  -3.502
 1386   2HB   CYS  33          2HB       CYS  33   2.870  -6.052  -3.208
 1387    HG   CYS  33           HG       CYS  33   4.330  -3.809  -2.836
 1388    H    LEU  34           H        LEU  34   0.806  -3.747  -5.171
 1389    HA   LEU  34           HA       LEU  34   1.629  -2.502  -7.748
 1390   1HB   LEU  34          1HB       LEU  34  -0.742  -2.155  -5.882
 1391   2HB   LEU  34          2HB       LEU  34  -0.535  -1.251  -7.377
 1392    HG   LEU  34           HG       LEU  34  -1.962  -3.061  -7.942
 1393   1HD1  LEU  34          1HD1      LEU  34   0.651  -4.320  -8.703
 1394   2HD1  LEU  34          2HD1      LEU  34   0.249  -2.723  -9.334
 1395   3HD1  LEU  34          3HD1      LEU  34  -0.805  -4.096  -9.672
 1396   1HD2  LEU  34          1HD2      LEU  34  -1.208  -4.301  -5.761
 1397   2HD2  LEU  34          2HD2      LEU  34  -0.071  -5.113  -6.839
 1398   3HD2  LEU  34          3HD2      LEU  34  -1.806  -5.238  -7.130
 1399    H    CYS  35           H        CYS  35   1.449   0.029  -7.663
 1400    HA   CYS  35           HA       CYS  35   2.375   1.159  -5.071
 1401   1HB   CYS  35          1HB       CYS  35   3.900   1.119  -7.697
 1402   2HB   CYS  35          2HB       CYS  35   4.334   2.164  -6.345
 1403    HG   CYS  35           HG       CYS  35   4.767  -0.880  -6.463
 1404    H    ILE  36           H        ILE  36   2.589   3.608  -5.277
 1405    HA   ILE  36           HA       ILE  36   0.415   4.646  -7.040
 1406    HB   ILE  36           HB       ILE  36   1.858   5.735  -4.591
 1407   1HG1  ILE  36          1HG1      ILE  36  -1.048   4.958  -4.870
 1408   2HG1  ILE  36          2HG1      ILE  36   0.184   3.790  -4.399
 1409   1HG2  ILE  36          1HG2      ILE  36   1.122   7.533  -6.152
 1410   2HG2  ILE  36          2HG2      ILE  36   0.218   7.554  -4.639
 1411   3HG2  ILE  36          3HG2      ILE  36  -0.516   6.882  -6.095
 1412   1HD1  ILE  36          1HD1      ILE  36   0.558   4.799  -2.353
 1413   2HD1  ILE  36          2HD1      ILE  36  -1.138   5.230  -2.577
 1414   3HD1  ILE  36          3HD1      ILE  36   0.126   6.402  -2.950
 1415    H    VAL  37           H        VAL  37   0.831   6.497  -8.374
 1416    HA   VAL  37           HA       VAL  37   3.735   7.132  -8.780
 1417    HB   VAL  37           HB       VAL  37   1.492   6.869 -10.819
 1418   1HG1  VAL  37          1HG1      VAL  37   4.433   7.533 -11.022
 1419   2HG1  VAL  37          2HG1      VAL  37   3.064   8.427 -11.684
 1420   3HG1  VAL  37          3HG1      VAL  37   3.533   6.882 -12.393
 1421   1HG2  VAL  37          1HG2      VAL  37   2.035   4.678 -10.034
 1422   2HG2  VAL  37          2HG2      VAL  37   3.759   5.044  -9.996
 1423   3HG2  VAL  37          3HG2      VAL  37   2.928   4.878 -11.542
 1424    H    ARG  38           H        ARG  38   3.295   8.999  -7.324
 1425    HA   ARG  38           HA       ARG  38   1.595  11.122  -8.572
 1426   1HB   ARG  38          1HB       ARG  38   2.158  10.143  -5.876
 1427   2HB   ARG  38          2HB       ARG  38   2.392  11.887  -5.995
 1428   1HG   ARG  38          1HG       ARG  38  -0.086  10.424  -6.948
 1429   2HG   ARG  38          2HG       ARG  38   0.046  11.265  -5.403
 1430   1HD   ARG  38          1HD       ARG  38   0.827  12.812  -7.834
 1431   2HD   ARG  38          2HD       ARG  38  -0.902  12.496  -7.599
 1432    HE   ARG  38           HE       ARG  38   0.396  13.341  -5.139
 1433   1HH1  ARG  38          1HH1      ARG  38  -0.994  14.444  -8.134
 1434   2HH1  ARG  38          2HH1      ARG  38  -1.393  16.004  -7.502
 1435   1HH2  ARG  38          1HH2      ARG  38  -0.132  15.374  -4.341
 1436   2HH2  ARG  38          2HH2      ARG  38  -0.910  16.528  -5.372
 1437    H    HIS  39           H        HIS  39   2.513  13.179  -8.967
 1438    HA   HIS  39           HA       HIS  39   5.291  13.331  -9.612
 1439   1HB   HIS  39          1HB       HIS  39   3.196  15.457  -9.026
 1440   2HB   HIS  39          2HB       HIS  39   4.738  15.773  -9.820
 1441    HD1  HIS  39           HD1      HIS  39   1.827  16.062 -11.156
 1442    HD2  HIS  39           HD2      HIS  39   4.493  12.906 -11.713
 1443    HE1  HIS  39           HE1      HIS  39   1.211  14.985 -13.364
 1444    H    ASN  40           H        ASN  40   6.484  15.451  -8.543
 1445    HA   ASN  40           HA       ASN  40   6.900  14.686  -5.718
 1446   1HB   ASN  40          1HB       ASN  40   8.548  15.299  -7.760
 1447   2HB   ASN  40          2HB       ASN  40   8.360  16.913  -7.079
 1448   1HD2  ASN  40          1HD2      ASN  40   7.990  15.838  -4.290
 1449   2HD2  ASN  40          2HD2      ASN  40   9.532  15.335  -3.791
 1450    H    ASP  41           H        ASP  41   7.866  17.646  -5.360
 1451    HA   ASP  41           HA       ASP  41   6.991  19.612  -4.418
 1452   1HB   ASP  41          1HB       ASP  41   4.559  18.863  -6.084
 1453   2HB   ASP  41          2HB       ASP  41   5.001  20.474  -5.531
 1454    H    ASP  42           H        ASP  42   3.825  19.621  -4.083
 1455    HA   ASP  42           HA       ASP  42   3.622  19.180  -1.363
 1456   1HB   ASP  42          1HB       ASP  42   1.618  18.595  -3.573
 1457   2HB   ASP  42          2HB       ASP  42   1.193  18.801  -1.874
 1458    H    TRP  43           H        TRP  43   3.755  16.718  -3.867
 1459    HA   TRP  43           HA       TRP  43   2.743  14.514  -2.311
 1460   1HB   TRP  43          1HB       TRP  43   2.899  14.450  -4.736
 1461   2HB   TRP  43          2HB       TRP  43   4.632  14.770  -4.680
 1462    HD1  TRP  43           HD1      TRP  43   6.125  12.721  -4.796
 1463    HE1  TRP  43           HE1      TRP  43   5.831  10.193  -4.378
 1464    HE3  TRP  43           HE3      TRP  43   1.309  12.657  -3.099
 1465    HZ2  TRP  43           HZ2      TRP  43   3.812   8.389  -3.445
 1466    HZ3  TRP  43           HZ3      TRP  43   0.233  10.524  -2.455
 1467    HH2  TRP  43           HH2      TRP  43   1.476   8.392  -2.630
 1468    H    GLY  44           H        GLY  44   6.128  15.345  -3.183
 1469   1HA   GLY  44          1HA       GLY  44   7.383  13.477  -1.476
 1470   2HA   GLY  44          2HA       GLY  44   8.126  14.986  -2.006
 1471    H    THR  45           H        THR  45   5.849  16.526  -0.733
 1472    HA   THR  45           HA       THR  45   7.085  16.781   1.910
 1473    HB   THR  45           HB       THR  45   4.643  18.096   0.668
 1474    HG1  THR  45           HG1      THR  45   6.022  19.162  -0.470
 1475   1HG2  THR  45          1HG2      THR  45   5.965  19.851   2.404
 1476   2HG2  THR  45          2HG2      THR  45   5.969  18.304   3.251
 1477   3HG2  THR  45          3HG2      THR  45   4.445  19.015   2.722
 1478    H    ALA  46           H        ALA  46   3.644  16.380   0.954
 1479    HA   ALA  46           HA       ALA  46   2.654  15.602   3.472
 1480   1HB   ALA  46          1HB       ALA  46   1.928  15.228   0.598
 1481   2HB   ALA  46          2HB       ALA  46   1.001  15.983   1.894
 1482   3HB   ALA  46          3HB       ALA  46   1.071  14.225   1.768
 1483    H    LEU  47           H        LEU  47   3.556  13.395   0.795
 1484    HA   LEU  47           HA       LEU  47   3.705  11.123   2.693
 1485   1HB   LEU  47          1HB       LEU  47   3.977  11.461  -0.314
 1486   2HB   LEU  47          2HB       LEU  47   4.085   9.901   0.503
 1487    HG   LEU  47           HG       LEU  47   1.797  10.866   1.590
 1488   1HD1  LEU  47          1HD1      LEU  47   1.247  12.746   0.452
 1489   2HD1  LEU  47          2HD1      LEU  47   0.685  11.620  -0.778
 1490   3HD1  LEU  47          3HD1      LEU  47   2.289  12.344  -0.909
 1491   1HD2  LEU  47          1HD2      LEU  47   1.454   8.785   0.797
 1492   2HD2  LEU  47          2HD2      LEU  47   2.510   9.038  -0.590
 1493   3HD2  LEU  47          3HD2      LEU  47   0.837   9.599  -0.638
 1494    H    GLU  48           H        GLU  48   5.701  12.929   3.338
 1495    HA   GLU  48           HA       GLU  48   8.144  12.546   1.868
 1496   1HB   GLU  48          1HB       GLU  48   9.139  13.460   4.081
 1497   2HB   GLU  48          2HB       GLU  48   8.012  14.482   3.204
 1498   1HG   GLU  48          1HG       GLU  48   7.685  14.322   5.738
 1499   2HG   GLU  48          2HG       GLU  48   6.255  14.064   4.754
 1500    H    ASP  49           H        ASP  49   7.425   9.959   2.014
 1501    HA   ASP  49           HA       ASP  49   9.603   8.612   3.218
 1502   1HB   ASP  49          1HB       ASP  49   7.468   9.382   5.020
 1503   2HB   ASP  49          2HB       ASP  49   7.574   7.624   4.944
 1504    H    TYR  50           H        TYR  50   9.469   6.310   2.878
 1505    HA   TYR  50           HA       TYR  50   8.718   4.341   1.817
 1506   1HB   TYR  50          1HB       TYR  50   5.933   5.493   2.105
 1507   2HB   TYR  50          2HB       TYR  50   6.432   3.811   2.223
 1508    HD1  TYR  50           HD1      TYR  50   5.118   6.249   4.140
 1509    HD2  TYR  50           HD2      TYR  50   8.604   3.737   4.089
 1510    HE1  TYR  50           HE1      TYR  50   5.338   6.504   6.596
 1511    HE2  TYR  50           HE2      TYR  50   8.823   3.994   6.545
 1512    HH   TYR  50           HH       TYR  50   7.523   4.574   8.456
 1513    H    LEU  51           H        LEU  51   9.038   6.997   0.227
 1514    HA   LEU  51           HA       LEU  51   7.200   6.345  -2.039
 1515   1HB   LEU  51          1HB       LEU  51   8.850   8.767  -1.255
 1516   2HB   LEU  51          2HB       LEU  51   8.042   8.645  -2.813
 1517    HG   LEU  51           HG       LEU  51   6.737   8.636  -0.077
 1518   1HD1  LEU  51          1HD1      LEU  51   6.673  10.494  -2.471
 1519   2HD1  LEU  51          2HD1      LEU  51   7.269  10.858  -0.852
 1520   3HD1  LEU  51          3HD1      LEU  51   5.544  10.613  -1.122
 1521   1HD2  LEU  51          1HD2      LEU  51   4.598   8.553  -1.476
 1522   2HD2  LEU  51          2HD2      LEU  51   5.502   7.042  -1.371
 1523   3HD2  LEU  51          3HD2      LEU  51   5.613   8.037  -2.823
 1524    H    PHE  52           H        PHE  52   8.129   4.976  -3.497
 1525    HA   PHE  52           HA       PHE  52  11.055   5.037  -3.979
 1526   1HB   PHE  52          1HB       PHE  52   8.695   3.359  -4.874
 1527   2HB   PHE  52          2HB       PHE  52  10.286   3.168  -5.612
 1528    HD1  PHE  52           HD1      PHE  52   8.288   2.718  -2.558
 1529    HD2  PHE  52           HD2      PHE  52  12.191   2.327  -4.309
 1530    HE1  PHE  52           HE1      PHE  52   9.004   1.307  -0.648
 1531    HE2  PHE  52           HE2      PHE  52  12.906   0.916  -2.399
 1532    HZ   PHE  52           HZ       PHE  52  11.313   0.406  -0.569
 1533    H    SER  53           H        SER  53  11.516   6.911  -5.165
 1534    HA   SER  53           HA       SER  53   9.674   7.675  -7.363
 1535   1HB   SER  53          1HB       SER  53  10.631   9.824  -7.080
 1536   2HB   SER  53          2HB       SER  53  10.654   9.159  -5.446
 1537    HG   SER  53           HG       SER  53  12.763   9.400  -7.300
 1538    H    ARG  54           H        ARG  54  10.514   8.213  -9.468
 1539    HA   ARG  54           HA       ARG  54  13.060   6.788 -10.170
 1540   1HB   ARG  54          1HB       ARG  54  10.450   7.231 -11.665
 1541   2HB   ARG  54          2HB       ARG  54  11.888   6.537 -12.411
 1542   1HG   ARG  54          1HG       ARG  54  11.754   4.946 -10.260
 1543   2HG   ARG  54          2HG       ARG  54  10.044   5.358 -10.386
 1544   1HD   ARG  54          1HD       ARG  54  11.767   4.160 -12.588
 1545   2HD   ARG  54          2HD       ARG  54  10.453   3.349 -11.718
 1546    HE   ARG  54           HE       ARG  54   9.233   5.625 -12.668
 1547   1HH1  ARG  54          1HH1      ARG  54  11.181   3.144 -14.143
 1548   2HH1  ARG  54          2HH1      ARG  54  10.411   3.301 -15.683
 1549   1HH2  ARG  54          1HH2      ARG  54   8.248   5.809 -14.679
 1550   2HH2  ARG  54          2HH2      ARG  54   8.763   4.797 -15.987
 1551    H    LYS  55           H        LYS  55  13.653   7.764 -12.571
 1552    HA   LYS  55           HA       LYS  55  14.289  10.574 -12.085
 1553   1HB   LYS  55          1HB       LYS  55  15.151   8.353 -13.706
 1554   2HB   LYS  55          2HB       LYS  55  14.878   9.748 -14.751
 1555   1HG   LYS  55          1HG       LYS  55  16.164  10.869 -12.577
 1556   2HG   LYS  55          2HG       LYS  55  16.964   9.304 -12.730
 1557   1HD   LYS  55          1HD       LYS  55  18.017   9.923 -14.635
 1558   2HD   LYS  55          2HD       LYS  55  16.539  10.599 -15.319
 1559   1HE   LYS  55          1HE       LYS  55  16.863  12.689 -14.152
 1560   2HE   LYS  55          2HE       LYS  55  18.192  12.009 -13.194
 1561   1HZ   LYS  55          1HZ       LYS  55  18.924  13.290 -15.193
 1562   2HZ   LYS  55          2HZ       LYS  55  18.173  12.118 -16.166
 1563   3HZ   LYS  55          3HZ       LYS  55  19.474  11.684 -15.164
 1564    H    ASN  56           H        ASN  56  12.020  11.338 -12.030
 1565    HA   ASN  56           HA       ASN  56  10.481  11.246 -14.545
 1566   1HB   ASN  56          1HB       ASN  56  12.165  13.011 -14.910
 1567   2HB   ASN  56          2HB       ASN  56  10.566  13.737 -14.743
 1568   1HD2  ASN  56          1HD2      ASN  56  10.787  15.631 -13.540
 1569   2HD2  ASN  56          2HD2      ASN  56  11.738  15.794 -12.144
 1570    H    MET  57           H        MET  57  10.281  10.723 -11.472
 1571    HA   MET  57           HA       MET  57   8.372  12.637 -10.443
 1572   1HB   MET  57          1HB       MET  57   6.346  11.276 -10.818
 1573   2HB   MET  57          2HB       MET  57   7.113  11.662 -12.358
 1574   1HG   MET  57          1HG       MET  57   8.291   9.249 -11.375
 1575   2HG   MET  57          2HG       MET  57   6.540   9.078 -11.259
 1576   1HE   MET  57          1HE       MET  57   5.704  11.066 -14.163
 1577   2HE   MET  57          2HE       MET  57   5.078  10.086 -12.838
 1578   3HE   MET  57          3HE       MET  57   5.053   9.459 -14.487
 1579    H    SER  58           H        SER  58   6.836  11.130  -8.783
 1580    HA   SER  58           HA       SER  58   8.766   9.361  -7.323
 1581   1HB   SER  58          1HB       SER  58   6.788  11.341  -6.146
 1582   2HB   SER  58          2HB       SER  58   8.023  10.439  -5.268
 1583    HG   SER  58           HG       SER  58   8.311  12.573  -7.073
 1584    H    ALA  59           H        ALA  59   7.791   7.595  -6.188
 1585    HA   ALA  59           HA       ALA  59   4.855   7.213  -6.639
 1586   1HB   ALA  59          1HB       ALA  59   5.538   5.731  -8.239
 1587   2HB   ALA  59          2HB       ALA  59   5.982   4.694  -6.883
 1588   3HB   ALA  59          3HB       ALA  59   7.196   5.725  -7.639
 1589    H    MET  60           H        MET  60   4.168   5.146  -5.291
 1590    HA   MET  60           HA       MET  60   5.550   5.276  -2.628
 1591   1HB   MET  60          1HB       MET  60   3.220   6.350  -2.991
 1592   2HB   MET  60          2HB       MET  60   2.619   4.698  -3.127
 1593   1HG   MET  60          1HG       MET  60   3.106   4.195  -0.904
 1594   2HG   MET  60          2HG       MET  60   4.353   5.436  -0.791
 1595   1HE   MET  60          1HE       MET  60   2.397   7.163   1.745
 1596   2HE   MET  60          2HE       MET  60   3.800   7.573   0.759
 1597   3HE   MET  60          3HE       MET  60   3.600   5.930   1.367
 1598    H    ALA  61           H        ALA  61   5.509   3.275  -1.391
 1599    HA   ALA  61           HA       ALA  61   5.575   0.858  -3.089
 1600   1HB   ALA  61          1HB       ALA  61   6.084   0.170  -0.436
 1601   2HB   ALA  61          2HB       ALA  61   6.639   1.841  -0.534
 1602   3HB   ALA  61          3HB       ALA  61   7.306   0.625  -1.624
 1603    H    LEU  62           H        LEU  62   3.320   0.502  -3.509
 1604    HA   LEU  62           HA       LEU  62   1.204  -0.436  -3.052
 1605   1HB   LEU  62          1HB       LEU  62   0.920   0.771  -0.426
 1606   2HB   LEU  62          2HB       LEU  62   1.723   1.893  -1.519
 1607    HG   LEU  62           HG       LEU  62  -0.962   0.544  -1.931
 1608   1HD1  LEU  62          1HD1      LEU  62  -1.540   2.425  -0.770
 1609   2HD1  LEU  62          2HD1      LEU  62  -1.288   3.225  -2.320
 1610   3HD1  LEU  62          3HD1      LEU  62  -0.005   3.222  -1.111
 1611   1HD2  LEU  62          1HD2      LEU  62  -0.877   2.148  -4.020
 1612   2HD2  LEU  62          2HD2      LEU  62  -0.132   0.552  -4.114
 1613   3HD2  LEU  62          3HD2      LEU  62   0.868   1.977  -3.834
 1614    H    GLY  63           H        GLY  63   2.582  -2.508  -2.687
 1615   1HA   GLY  63          1HA       GLY  63   1.529  -3.906  -0.428
 1616   2HA   GLY  63          2HA       GLY  63   2.800  -4.512  -1.488
 1617    H    PHE  64           H        PHE  64   4.292  -5.239   0.002
 1618    HA   PHE  64           HA       PHE  64   4.971  -3.636   2.376
 1619   1HB   PHE  64          1HB       PHE  64   6.067  -6.216   1.193
 1620   2HB   PHE  64          2HB       PHE  64   6.432  -5.609   2.807
 1621    HD1  PHE  64           HD1      PHE  64   3.817  -7.038   0.628
 1622    HD2  PHE  64           HD2      PHE  64   4.777  -5.680   4.589
 1623    HE1  PHE  64           HE1      PHE  64   1.751  -8.104   1.494
 1624    HE2  PHE  64           HE2      PHE  64   2.711  -6.745   5.455
 1625    HZ   PHE  64           HZ       PHE  64   1.199  -7.957   3.907
 1626    H    GLY  65           H        GLY  65   5.578  -2.140   0.083
 1627   1HA   GLY  65          1HA       GLY  65   8.423  -2.538  -0.557
 1628   2HA   GLY  65          2HA       GLY  65   7.380  -1.279  -1.217
 1629    H    ALA  66           H        ALA  66   6.503  -0.683   1.663
 1630    HA   ALA  66           HA       ALA  66   8.629   1.290   2.199
 1631   1HB   ALA  66          1HB       ALA  66   6.112   1.678   2.237
 1632   2HB   ALA  66          2HB       ALA  66   6.956   2.208   3.692
 1633   3HB   ALA  66          3HB       ALA  66   6.056   0.691   3.697
 1634    H    ILE  67           H        ILE  67   6.953  -1.260   4.063
 1635    HA   ILE  67           HA       ILE  67   8.296  -1.233   6.456
 1636    HB   ILE  67           HB       ILE  67   7.951  -3.768   6.391
 1637   1HG1  ILE  67          1HG1      ILE  67   6.521  -4.477   4.377
 1638   2HG1  ILE  67          2HG1      ILE  67   7.168  -3.065   3.552
 1639   1HG2  ILE  67          1HG2      ILE  67   5.640  -2.046   5.454
 1640   2HG2  ILE  67          2HG2      ILE  67   6.227  -2.120   7.115
 1641   3HG2  ILE  67          3HG2      ILE  67   5.523  -3.552   6.363
 1642   1HD1  ILE  67          1HD1      ILE  67   8.364  -5.564   3.679
 1643   2HD1  ILE  67          2HD1      ILE  67   9.254  -4.621   4.876
 1644   3HD1  ILE  67          3HD1      ILE  67   9.159  -4.067   3.203
 1645    H    PHE  68           H        PHE  68   9.714  -2.204   3.384
 1646    HA   PHE  68           HA       PHE  68  11.913  -3.740   4.259
 1647   1HB   PHE  68          1HB       PHE  68  11.375  -1.797   2.019
 1648   2HB   PHE  68          2HB       PHE  68  12.977  -2.517   2.184
 1649    HD1  PHE  68           HD1      PHE  68  12.687  -5.195   2.944
 1650    HD2  PHE  68           HD2      PHE  68  10.044  -2.896   0.460
 1651    HE1  PHE  68           HE1      PHE  68  11.847  -7.283   1.905
 1652    HE2  PHE  68           HE2      PHE  68   9.204  -4.985  -0.579
 1653    HZ   PHE  68           HZ       PHE  68  10.106  -7.178   0.144
 1654    H    ASN  69           H        ASN  69  13.949  -3.197   5.108
 1655    HA   ASN  69           HA       ASN  69  14.291  -0.334   5.945
 1656   1HB   ASN  69          1HB       ASN  69  15.179  -2.925   7.269
 1657   2HB   ASN  69          2HB       ASN  69  15.401  -1.307   7.934
 1658   1HD2  ASN  69          1HD2      ASN  69  13.879  -3.266   9.353
 1659   2HD2  ASN  69          2HD2      ASN  69  12.252  -2.781   9.361
 1660    H    HIS  70           H        HIS  70  16.770  -0.100   6.654
 1661    HA   HIS  70           HA       HIS  70  18.405  -0.927   4.290
 1662   1HB   HIS  70          1HB       HIS  70  18.167   1.478   4.716
 1663   2HB   HIS  70          2HB       HIS  70  18.665   1.258   6.394
 1664    HD1  HIS  70           HD1      HIS  70  19.994   1.731   2.985
 1665    HD2  HIS  70           HD2      HIS  70  21.474   0.469   6.671
 1666    HE1  HIS  70           HE1      HIS  70  22.519   1.804   2.805
 1667    H    SER  71           H        SER  71  20.543  -1.829   4.709
 1668    HA   SER  71           HA       SER  71  21.307  -2.420   7.497
 1669   1HB   SER  71          1HB       SER  71  19.632  -4.128   7.027
 1670   2HB   SER  71          2HB       SER  71  20.412  -4.524   5.496
 1671    HG   SER  71           HG       SER  71  20.862  -5.769   7.613
 1672    H    LYS  72           H        LYS  72  22.394  -1.241   4.829
 1673    HA   LYS  72           HA       LYS  72  24.469  -1.225   3.695
 1674   1HB   LYS  72          1HB       LYS  72  24.906  -1.138   6.300
 1675   2HB   LYS  72          2HB       LYS  72  25.533  -2.768   6.054
 1676   1HG   LYS  72          1HG       LYS  72  27.373  -1.190   5.848
 1677   2HG   LYS  72          2HG       LYS  72  27.026  -1.862   4.255
 1678   1HD   LYS  72          1HD       LYS  72  26.100   0.115   3.471
 1679   2HD   LYS  72          2HD       LYS  72  25.613   0.646   5.081
 1680   1HE   LYS  72          1HE       LYS  72  28.269   0.665   5.465
 1681   2HE   LYS  72          2HE       LYS  72  28.254   0.934   3.711
 1682   1HZ   LYS  72          1HZ       LYS  72  28.038   3.022   4.974
 1683   2HZ   LYS  72          2HZ       LYS  72  26.613   2.436   5.689
 1684   3HZ   LYS  72          3HZ       LYS  72  26.670   2.717   4.015
 1685    H    ASP  73           H        ASP  73  22.644  -3.691   3.568
 1686    HA   ASP  73           HA       ASP  73  24.346  -5.332   1.911
 1687   1HB   ASP  73          1HB       ASP  73  24.364  -7.304   3.466
 1688   2HB   ASP  73          2HB       ASP  73  25.258  -5.930   4.116
 1689    HA   PRO  74           HA       PRO  74  19.658  -5.640   1.714
 1690   1HB   PRO  74          1HB       PRO  74  19.523  -4.964  -0.977
 1691   2HB   PRO  74          2HB       PRO  74  19.346  -3.805   0.352
 1692   1HG   PRO  74          1HG       PRO  74  21.711  -4.392  -1.353
 1693   2HG   PRO  74          2HG       PRO  74  21.140  -2.847  -0.710
 1694   1HD   PRO  74          1HD       PRO  74  23.234  -4.201   0.351
 1695   2HD   PRO  74          2HD       PRO  74  22.160  -3.174   1.325
 1696    H    ASN  75           H        ASN  75  19.934  -7.946   1.882
 1697    HA   ASN  75           HA       ASN  75  21.141  -9.620  -0.090
 1698   1HB   ASN  75          1HB       ASN  75  18.871 -10.064   1.886
 1699   2HB   ASN  75          2HB       ASN  75  19.716 -11.362   1.042
 1700   1HD2  ASN  75          1HD2      ASN  75  19.666 -10.658   4.008
 1701   2HD2  ASN  75          2HD2      ASN  75  21.299 -10.492   4.438
 1702    H    ALA  76           H        ALA  76  18.033  -8.022   0.039
 1703    HA   ALA  76           HA       ALA  76  17.317  -9.301  -2.577
 1704   1HB   ALA  76          1HB       ALA  76  14.914  -8.663  -1.467
 1705   2HB   ALA  76          2HB       ALA  76  15.855  -8.959  -0.005
 1706   3HB   ALA  76          3HB       ALA  76  15.695 -10.225  -1.223
 1707    H    ARG  77           H        ARG  77  17.042  -7.794  -4.177
 1708    HA   ARG  77           HA       ARG  77  16.910  -4.921  -3.409
 1709   1HB   ARG  77          1HB       ARG  77  18.412  -6.328  -5.205
 1710   2HB   ARG  77          2HB       ARG  77  17.092  -5.791  -6.245
 1711   1HG   ARG  77          1HG       ARG  77  17.997  -3.733  -6.335
 1712   2HG   ARG  77          2HG       ARG  77  17.853  -3.592  -4.584
 1713   1HD   ARG  77          1HD       ARG  77  20.111  -3.697  -4.425
 1714   2HD   ARG  77          2HD       ARG  77  20.067  -5.324  -5.128
 1715    HE   ARG  77           HE       ARG  77  19.686  -3.545  -7.272
 1716   1HH1  ARG  77          1HH1      ARG  77  22.123  -4.194  -4.872
 1717   2HH1  ARG  77          2HH1      ARG  77  23.420  -3.676  -5.891
 1718   1HH2  ARG  77          1HH2      ARG  77  21.385  -2.879  -8.575
 1719   2HH2  ARG  77          2HH2      ARG  77  23.008  -2.936  -7.973
 1720    H    HIS  78           H        HIS  78  15.629  -3.750  -5.466
 1721    HA   HIS  78           HA       HIS  78  12.889  -4.967  -5.399
 1722   1HB   HIS  78          1HB       HIS  78  12.169  -2.552  -5.623
 1723   2HB   HIS  78          2HB       HIS  78  13.055  -2.896  -4.139
 1724    HD1  HIS  78           HD1      HIS  78  14.757  -1.159  -3.654
 1725    HD2  HIS  78           HD2      HIS  78  14.257  -1.680  -7.759
 1726    HE1  HIS  78           HE1      HIS  78  16.340   0.466  -4.778
 1727    H    GLU  79           H        GLU  79  11.578  -4.630  -7.330
 1728    HA   GLU  79           HA       GLU  79  13.114  -3.989  -9.817
 1729   1HB   GLU  79          1HB       GLU  79  13.099  -6.437  -9.362
 1730   2HB   GLU  79          2HB       GLU  79  11.339  -6.400  -9.274
 1731   1HG   GLU  79          1HG       GLU  79  12.097  -7.149 -11.501
 1732   2HG   GLU  79          2HG       GLU  79  11.234  -5.615 -11.607
 1733    H    LEU  80           H        LEU  80  11.940  -2.554 -11.037
 1734    HA   LEU  80           HA       LEU  80   9.022  -2.281 -10.454
 1735   1HB   LEU  80          1HB       LEU  80  11.231  -0.506 -11.487
 1736   2HB   LEU  80          2HB       LEU  80   9.546  -0.070 -11.773
 1737    HG   LEU  80           HG       LEU  80  10.611  -0.761  -9.025
 1738   1HD1  LEU  80          1HD1      LEU  80  11.855   1.173  -9.630
 1739   2HD1  LEU  80          2HD1      LEU  80  10.480   1.788  -8.713
 1740   3HD1  LEU  80          3HD1      LEU  80  10.481   1.885 -10.472
 1741   1HD2  LEU  80          1HD2      LEU  80   8.567   0.506  -8.336
 1742   2HD2  LEU  80          2HD2      LEU  80   8.191  -0.935  -9.281
 1743   3HD2  LEU  80          3HD2      LEU  80   8.128   0.657 -10.038
 1744    H    THR  81           H        THR  81   7.562  -2.839 -12.019
 1745    HA   THR  81           HA       THR  81   8.281  -4.232 -14.392
 1746    HB   THR  81           HB       THR  81   5.785  -3.488 -14.921
 1747    HG1  THR  81           HG1      THR  81   4.801  -2.482 -13.319
 1748   1HG2  THR  81          1HG2      THR  81   5.189  -5.016 -12.767
 1749   2HG2  THR  81          2HG2      THR  81   6.920  -5.330 -12.884
 1750   3HG2  THR  81          3HG2      THR  81   5.866  -5.679 -14.254
 1751    H    ALA  82           H        ALA  82   6.879  -3.126 -16.490
 1752    HA   ALA  82           HA       ALA  82   8.702  -1.118 -17.487
 1753   1HB   ALA  82          1HB       ALA  82   5.984  -1.671 -18.651
 1754   2HB   ALA  82          2HB       ALA  82   7.173  -2.973 -18.610
 1755   3HB   ALA  82          3HB       ALA  82   7.529  -1.482 -19.481
 1756    H    GLY  83           H        GLY  83   8.392   0.542 -15.746
 1757   1HA   GLY  83          1HA       GLY  83   7.308   2.877 -16.244
 1758   2HA   GLY  83          2HA       GLY  83   5.806   2.007 -15.934
 1759    H    LEU  84           H        LEU  84   5.092   2.170 -13.868
 1760    HA   LEU  84           HA       LEU  84   6.871   1.893 -11.577
 1761   1HB   LEU  84          1HB       LEU  84   7.264   4.229 -12.523
 1762   2HB   LEU  84          2HB       LEU  84   5.593   4.599 -12.101
 1763    HG   LEU  84           HG       LEU  84   6.090   3.996  -9.736
 1764   1HD1  LEU  84          1HD1      LEU  84   7.883   2.602  -9.536
 1765   2HD1  LEU  84          2HD1      LEU  84   8.810   4.101  -9.492
 1766   3HD1  LEU  84          3HD1      LEU  84   8.642   3.213 -11.006
 1767   1HD2  LEU  84          1HD2      LEU  84   7.918   5.929  -9.503
 1768   2HD2  LEU  84          2HD2      LEU  84   6.255   6.290  -9.965
 1769   3HD2  LEU  84          3HD2      LEU  84   7.510   6.181 -11.200
 1770    H    LYS  85           H        LYS  85   4.509   0.530 -12.311
 1771    HA   LYS  85           HA       LYS  85   2.515   1.592 -10.334
 1772   1HB   LYS  85          1HB       LYS  85   2.321   0.202 -13.003
 1773   2HB   LYS  85          2HB       LYS  85   0.982   0.094 -11.860
 1774   1HG   LYS  85          1HG       LYS  85   0.925   2.579 -11.733
 1775   2HG   LYS  85          2HG       LYS  85   2.212   2.652 -12.937
 1776   1HD   LYS  85          1HD       LYS  85   0.707   1.305 -14.473
 1777   2HD   LYS  85          2HD       LYS  85  -0.586   1.549 -13.299
 1778   1HE   LYS  85          1HE       LYS  85   0.887   4.003 -14.108
 1779   2HE   LYS  85          2HE       LYS  85  -0.141   3.266 -15.351
 1780   1HZ   LYS  85          1HZ       LYS  85  -1.025   3.719 -12.550
 1781   2HZ   LYS  85          2HZ       LYS  85  -1.987   3.273 -13.878
 1782   3HZ   LYS  85          3HZ       LYS  85  -1.317   4.832 -13.800
 1783    H    ARG  86           H        ARG  86   4.570  -1.062 -11.192
 1784    HA   ARG  86           HA       ARG  86   3.316  -2.694  -9.011
 1785   1HB   ARG  86          1HB       ARG  86   3.565  -3.189 -11.830
 1786   2HB   ARG  86          2HB       ARG  86   4.572  -4.354 -10.971
 1787   1HG   ARG  86          1HG       ARG  86   2.498  -4.650  -9.421
 1788   2HG   ARG  86          2HG       ARG  86   1.603  -3.895 -10.740
 1789   1HD   ARG  86          1HD       ARG  86   3.343  -6.377 -10.996
 1790   2HD   ARG  86          2HD       ARG  86   1.570  -6.352 -10.989
 1791    HE   ARG  86           HE       ARG  86   2.276  -4.497 -12.939
 1792   1HH1  ARG  86          1HH1      ARG  86   2.976  -7.854 -12.337
 1793   2HH1  ARG  86          2HH1      ARG  86   3.154  -8.231 -14.015
 1794   1HH2  ARG  86          1HH2      ARG  86   2.512  -5.011 -15.110
 1795   2HH2  ARG  86          2HH2      ARG  86   2.894  -6.634 -15.576
 1796    H    MET  87           H        MET  87   4.807  -3.850  -7.708
 1797    HA   MET  87           HA       MET  87   7.699  -3.197  -8.190
 1798   1HB   MET  87          1HB       MET  87   5.871  -3.044  -5.853
 1799   2HB   MET  87          2HB       MET  87   7.485  -3.663  -5.508
 1800   1HG   MET  87          1HG       MET  87   6.986  -1.109  -7.058
 1801   2HG   MET  87          2HG       MET  87   7.252  -1.145  -5.315
 1802   1HE   MET  87          1HE       MET  87  10.562  -0.512  -4.921
 1803   2HE   MET  87          2HE       MET  87  10.072  -2.090  -4.305
 1804   3HE   MET  87          3HE       MET  87   8.913  -0.761  -4.347
 1805    H    ARG  88           H        ARG  88   9.224  -4.835  -7.432
 1806    HA   ARG  88           HA       ARG  88   8.126  -7.545  -6.872
 1807   1HB   ARG  88          1HB       ARG  88   9.371  -6.535  -9.360
 1808   2HB   ARG  88          2HB       ARG  88  10.063  -8.044  -8.767
 1809   1HG   ARG  88          1HG       ARG  88   7.795  -9.031  -8.661
 1810   2HG   ARG  88          2HG       ARG  88   7.122  -7.528  -9.295
 1811   1HD   ARG  88          1HD       ARG  88   7.785  -8.008 -11.429
 1812   2HD   ARG  88          2HD       ARG  88   9.359  -8.624 -10.890
 1813    HE   ARG  88           HE       ARG  88   7.476 -10.480  -9.961
 1814   1HH1  ARG  88          1HH1      ARG  88   8.443  -9.165 -13.036
 1815   2HH1  ARG  88          2HH1      ARG  88   8.025 -10.600 -13.905
 1816   1HH2  ARG  88          1HH2      ARG  88   6.941 -12.332 -11.111
 1817   2HH2  ARG  88          2HH2      ARG  88   7.181 -12.381 -12.826
 1818    H    ILE  89           H        ILE  89   9.274  -8.087  -5.033
 1819    HA   ILE  89           HA       ILE  89  11.971  -6.977  -4.597
 1820    HB   ILE  89           HB       ILE  89  10.090  -8.750  -3.000
 1821   1HG1  ILE  89          1HG1      ILE  89  10.633  -6.207  -1.824
 1822   2HG1  ILE  89          2HG1      ILE  89  10.227  -5.933  -3.516
 1823   1HG2  ILE  89          1HG2      ILE  89  12.451  -9.152  -2.370
 1824   2HG2  ILE  89          2HG2      ILE  89  11.584  -8.302  -1.090
 1825   3HG2  ILE  89          3HG2      ILE  89  12.682  -7.417  -2.150
 1826   1HD1  ILE  89          1HD1      ILE  89   8.274  -7.617  -3.042
 1827   2HD1  ILE  89          2HD1      ILE  89   8.116  -5.942  -2.513
 1828   3HD1  ILE  89          3HD1      ILE  89   8.563  -7.195  -1.354
 1829    H    PHE  90           H        PHE  90  13.706  -8.037  -5.435
 1830    HA   PHE  90           HA       PHE  90  13.527 -10.992  -5.852
 1831   1HB   PHE  90          1HB       PHE  90  14.628  -8.668  -7.257
 1832   2HB   PHE  90          2HB       PHE  90  15.801  -9.980  -7.122
 1833    HD1  PHE  90           HD1      PHE  90  14.997 -12.353  -7.745
 1834    HD2  PHE  90           HD2      PHE  90  12.903  -8.775  -8.859
 1835    HE1  PHE  90           HE1      PHE  90  13.802 -13.607  -9.518
 1836    HE2  PHE  90           HE2      PHE  90  11.706 -10.028 -10.633
 1837    HZ   PHE  90           HZ       PHE  90  12.153 -12.446 -10.961
 1838    H    THR  91           H        THR  91  15.568 -12.217  -5.425
 1839    HA   THR  91           HA       THR  91  16.943 -11.156  -2.989
 1840    HB   THR  91           HB       THR  91  17.463 -13.687  -2.785
 1841    HG1  THR  91           HG1      THR  91  15.953 -14.951  -4.000
 1842   1HG2  THR  91          1HG2      THR  91  15.327 -12.140  -1.958
 1843   2HG2  THR  91          2HG2      THR  91  15.660 -13.784  -1.412
 1844   3HG2  THR  91          3HG2      THR  91  14.531 -13.507  -2.738
 1845    H    ILE  92           H        ILE  92  18.553  -9.938  -4.221
 1846    HA   ILE  92           HA       ILE  92  20.148 -10.895  -6.339
 1847    HB   ILE  92           HB       ILE  92  21.785  -9.202  -5.433
 1848   1HG1  ILE  92          1HG1      ILE  92  19.815  -8.636  -3.241
 1849   2HG1  ILE  92          2HG1      ILE  92  21.034  -9.886  -2.997
 1850   1HG2  ILE  92          1HG2      ILE  92  20.023  -8.362  -6.826
 1851   2HG2  ILE  92          2HG2      ILE  92  20.104  -7.288  -5.430
 1852   3HG2  ILE  92          3HG2      ILE  92  18.839  -8.512  -5.528
 1853   1HD1  ILE  92          1HD1      ILE  92  22.384  -8.177  -2.356
 1854   2HD1  ILE  92          2HD1      ILE  92  21.341  -6.961  -3.094
 1855   3HD1  ILE  92          3HD1      ILE  92  22.517  -7.830  -4.080
 1856    H    LYS  93           H        LYS  93  20.192 -11.771  -2.961
 1857    HA   LYS  93           HA       LYS  93  22.525 -13.568  -3.511
 1858   1HB   LYS  93          1HB       LYS  93  21.951 -11.911  -1.025
 1859   2HB   LYS  93          2HB       LYS  93  23.328 -12.992  -1.234
 1860   1HG   LYS  93          1HG       LYS  93  23.598 -11.483  -3.463
 1861   2HG   LYS  93          2HG       LYS  93  22.836 -10.301  -2.398
 1862   1HD   LYS  93          1HD       LYS  93  24.675 -11.373  -0.704
 1863   2HD   LYS  93          2HD       LYS  93  25.528 -11.531  -2.239
 1864   1HE   LYS  93          1HE       LYS  93  25.902  -9.291  -2.348
 1865   2HE   LYS  93          2HE       LYS  93  24.209  -8.925  -1.962
 1866   1HZ   LYS  93          1HZ       LYS  93  26.112  -9.963   0.063
 1867   2HZ   LYS  93          2HZ       LYS  93  24.607  -9.220   0.323
 1868   3HZ   LYS  93          3HZ       LYS  93  25.926  -8.298  -0.218
 1869    HA   PRO  94           HA       PRO  94  19.818 -16.742  -2.060
 1870   1HB   PRO  94          1HB       PRO  94  22.219 -17.953  -0.807
 1871   2HB   PRO  94          2HB       PRO  94  21.112 -18.640  -2.007
 1872   1HG   PRO  94          1HG       PRO  94  23.597 -17.824  -2.632
 1873   2HG   PRO  94          2HG       PRO  94  22.245 -17.726  -3.766
 1874   1HD   PRO  94          1HD       PRO  94  23.589 -15.567  -2.236
 1875   2HD   PRO  94          2HD       PRO  94  22.795 -15.507  -3.823
 1876    H    ILE  95           H        ILE  95  18.570 -16.698  -0.237
 1877    HA   ILE  95           HA       ILE  95  19.790 -15.628   2.276
 1878    HB   ILE  95           HB       ILE  95  16.947 -15.790   1.208
 1879   1HG1  ILE  95          1HG1      ILE  95  18.584 -13.327   1.820
 1880   2HG1  ILE  95          2HG1      ILE  95  18.652 -14.115   0.244
 1881   1HG2  ILE  95          1HG2      ILE  95  16.782 -15.962   3.592
 1882   2HG2  ILE  95          2HG2      ILE  95  16.473 -14.270   3.202
 1883   3HG2  ILE  95          3HG2      ILE  95  18.047 -14.756   3.833
 1884   1HD1  ILE  95          1HD1      ILE  95  15.990 -13.989   0.498
 1885   2HD1  ILE  95          2HD1      ILE  95  16.921 -12.646  -0.165
 1886   3HD1  ILE  95          3HD1      ILE  95  16.409 -12.615   1.522
 1887    H    ALA  96           H        ALA  96  19.740 -16.884   4.130
 1888    HA   ALA  96           HA       ALA  96  18.903 -19.705   3.842
 1889   1HB   ALA  96          1HB       ALA  96  21.091 -18.887   4.836
 1890   2HB   ALA  96          2HB       ALA  96  20.181 -19.966   5.894
 1891   3HB   ALA  96          3HB       ALA  96  20.160 -18.226   6.180
 1892    H    ILE  97           H        ILE  97  17.617 -20.690   5.659
 1893    HA   ILE  97           HA       ILE  97  15.170 -19.219   6.122
 1894    HB   ILE  97           HB       ILE  97  16.336 -21.797   7.236
 1895   1HG1  ILE  97          1HG1      ILE  97  14.082 -21.961   5.393
 1896   2HG1  ILE  97          2HG1      ILE  97  15.457 -21.127   4.671
 1897   1HG2  ILE  97          1HG2      ILE  97  13.447 -21.665   7.188
 1898   2HG2  ILE  97          2HG2      ILE  97  14.098 -20.342   8.155
 1899   3HG2  ILE  97          3HG2      ILE  97  14.516 -22.010   8.548
 1900   1HD1  ILE  97          1HD1      ILE  97  16.805 -22.991   4.749
 1901   2HD1  ILE  97          2HD1      ILE  97  15.244 -23.805   4.650
 1902   3HD1  ILE  97          3HD1      ILE  97  16.040 -23.612   6.211
 1903    H    GLY  98           H        GLY  98  15.117 -17.539   7.572
 1904   1HA   GLY  98          1HA       GLY  98  14.965 -17.059  10.017
 1905   2HA   GLY  98          2HA       GLY  98  16.474 -17.953  10.207
 1906    H    GLU  99           H        GLU  99  15.663 -15.557   7.704
 1907    HA   GLU  99           HA       GLU  99  17.881 -13.843   8.783
 1908   1HB   GLU  99          1HB       GLU  99  17.024 -14.582   5.967
 1909   2HB   GLU  99          2HB       GLU  99  18.149 -13.265   6.298
 1910   1HG   GLU  99          1HG       GLU  99  18.676 -15.940   7.539
 1911   2HG   GLU  99          2HG       GLU  99  19.042 -15.720   5.828
 1912    H    GLU 100           H        GLU 100  17.591 -11.548   7.504
 1913    HA   GLU 100           HA       GLU 100  14.713 -10.761   7.819
 1914   1HB   GLU 100          1HB       GLU 100  16.337 -10.049   9.646
 1915   2HB   GLU 100          2HB       GLU 100  17.175  -9.088   8.426
 1916   1HG   GLU 100          1HG       GLU 100  14.685  -8.213   7.968
 1917   2HG   GLU 100          2HG       GLU 100  14.486  -8.668   9.660
 1918    H    ILE 101           H        ILE 101  13.882  -9.908   5.952
 1919    HA   ILE 101           HA       ILE 101  15.712  -9.243   3.732
 1920    HB   ILE 101           HB       ILE 101  12.681  -9.233   3.968
 1921   1HG1  ILE 101          1HG1      ILE 101  14.581 -11.362   2.941
 1922   2HG1  ILE 101          2HG1      ILE 101  13.663 -11.446   4.444
 1923   1HG2  ILE 101          1HG2      ILE 101  12.603  -9.053   1.629
 1924   2HG2  ILE 101          2HG2      ILE 101  14.278  -9.570   1.439
 1925   3HG2  ILE 101          3HG2      ILE 101  13.917  -7.956   2.053
 1926   1HD1  ILE 101          1HD1      ILE 101  12.572 -11.389   1.619
 1927   2HD1  ILE 101          2HD1      ILE 101  11.560 -11.161   3.046
 1928   3HD1  ILE 101          3HD1      ILE 101  12.415 -12.685   2.805
 1929    H    THR 102           H        THR 102  16.338  -7.188   3.312
 1930    HA   THR 102           HA       THR 102  14.594  -4.890   3.957
 1931    HB   THR 102           HB       THR 102  16.541  -3.898   5.298
 1932    HG1  THR 102           HG1      THR 102  17.353  -6.605   5.400
 1933   1HG2  THR 102          1HG2      THR 102  15.831  -4.912   7.320
 1934   2HG2  THR 102          2HG2      THR 102  15.493  -6.449   6.525
 1935   3HG2  THR 102          3HG2      THR 102  14.443  -5.061   6.242
 1936    H    ILE 103           H        ILE 103  15.103  -3.116   2.609
 1937    HA   ILE 103           HA       ILE 103  17.494  -3.468   0.830
 1938    HB   ILE 103           HB       ILE 103  16.081  -2.560  -0.969
 1939   1HG1  ILE 103          1HG1      ILE 103  13.497  -2.665   0.207
 1940   2HG1  ILE 103          2HG1      ILE 103  14.501  -1.670   1.262
 1941   1HG2  ILE 103          1HG2      ILE 103  14.189  -4.529   0.157
 1942   2HG2  ILE 103          2HG2      ILE 103  15.872  -5.056   0.132
 1943   3HG2  ILE 103          3HG2      ILE 103  15.080  -4.565  -1.365
 1944   1HD1  ILE 103          1HD1      ILE 103  13.737  -1.231  -1.602
 1945   2HD1  ILE 103          2HD1      ILE 103  15.294  -0.619  -1.042
 1946   3HD1  ILE 103          3HD1      ILE 103  13.803  -0.073  -0.273
 1947    H    SER 104           H        SER 104  18.636  -1.555   0.305
 1948    HA   SER 104           HA       SER 104  18.310   0.660   2.212
 1949   1HB   SER 104          1HB       SER 104  20.511  -0.288   1.634
 1950   2HB   SER 104          2HB       SER 104  20.245   0.095  -0.067
 1951    HG   SER 104           HG       SER 104  21.307   1.829   0.572
 1952    H    TYR 105           H        TYR 105  19.089   2.860   0.738
 1953    HA   TYR 105           HA       TYR 105  16.893   3.161  -1.290
 1954   1HB   TYR 105          1HB       TYR 105  17.956   5.314   0.571
 1955   2HB   TYR 105          2HB       TYR 105  16.473   5.351  -0.378
 1956    HD1  TYR 105           HD1      TYR 105  15.418   2.603   0.160
 1957    HD2  TYR 105           HD2      TYR 105  17.183   5.499   2.796
 1958    HE1  TYR 105           HE1      TYR 105  14.181   1.619   2.071
 1959    HE2  TYR 105           HE2      TYR 105  15.946   4.516   4.706
 1960    HH   TYR 105           HH       TYR 105  14.553   1.536   4.653
 1961    H    GLY 106           H        GLY 106  19.725   5.048  -0.165
 1962   1HA   GLY 106          1HA       GLY 106  21.624   4.869  -1.992
 1963   2HA   GLY 106          2HA       GLY 106  20.387   5.623  -3.003
 1964    H    ASP 107           H        ASP 107  22.641   7.047  -2.745
 1965    HA   ASP 107           HA       ASP 107  23.194   8.673  -0.582
 1966   1HB   ASP 107          1HB       ASP 107  23.940  10.302  -2.325
 1967   2HB   ASP 107          2HB       ASP 107  24.403   8.647  -2.721
 1968    H    ASP 108           H        ASP 108  20.417   8.956  -2.754
 1969    HA   ASP 108           HA       ASP 108  19.628  11.612  -1.993
 1970   1HB   ASP 108          1HB       ASP 108  18.647   9.309  -3.514
 1971   2HB   ASP 108          2HB       ASP 108  17.340  10.186  -2.719
 1972    H    TYR 109           H        TYR 109  18.654   8.391  -0.758
 1973    HA   TYR 109           HA       TYR 109  17.177   9.775   1.448
 1974   1HB   TYR 109          1HB       TYR 109  16.678   7.573  -0.323
 1975   2HB   TYR 109          2HB       TYR 109  16.744   6.941   1.321
 1976    HD1  TYR 109           HD1      TYR 109  14.501   6.580   1.936
 1977    HD2  TYR 109           HD2      TYR 109  15.626  10.295   0.096
 1978    HE1  TYR 109           HE1      TYR 109  12.233   7.482   2.369
 1979    HE2  TYR 109           HE2      TYR 109  13.357  11.197   0.530
 1980    HH   TYR 109           HH       TYR 109  10.784   9.500   1.084
 1981    H    TRP 110           H        TRP 110  18.380   9.900   3.293
 1982    HA   TRP 110           HA       TRP 110  19.795   9.290   5.066
 1983   1HB   TRP 110          1HB       TRP 110  18.206   7.527   5.377
 1984   2HB   TRP 110          2HB       TRP 110  18.803   6.635   3.985
 1985    HD1  TRP 110           HD1      TRP 110  21.008   5.233   4.248
 1986    HE1  TRP 110           HE1      TRP 110  22.307   4.406   6.320
 1987    HE3  TRP 110           HE3      TRP 110  18.876   8.156   7.851
 1988    HZ2  TRP 110           HZ2      TRP 110  22.423   4.920   9.133
 1989    HZ3  TRP 110           HZ3      TRP 110  19.597   7.968  10.214
 1990    HH2  TRP 110           HH2      TRP 110  21.366   6.356  10.859
 1991    H    LEU 111           H        LEU 111  20.613   6.566   2.905
 1992    HA   LEU 111           HA       LEU 111  23.356   6.526   3.322
 1993   1HB   LEU 111          1HB       LEU 111  21.624   5.131   1.856
 1994   2HB   LEU 111          2HB       LEU 111  22.276   6.124   0.557
 1995    HG   LEU 111           HG       LEU 111  24.544   5.370   1.065
 1996   1HD1  LEU 111          1HD1      LEU 111  23.151   4.039   3.384
 1997   2HD1  LEU 111          2HD1      LEU 111  24.602   5.041   3.397
 1998   3HD1  LEU 111          3HD1      LEU 111  24.671   3.397   2.761
 1999   1HD2  LEU 111          1HD2      LEU 111  24.338   3.210   0.167
 2000   2HD2  LEU 111          2HD2      LEU 111  22.813   3.961  -0.300
 2001   3HD2  LEU 111          3HD2      LEU 111  22.871   2.868   1.082
 2002    H    SER 112           H        SER 112  25.155   7.272   1.883
 2003    HA   SER 112           HA       SER 112  24.599   9.697   0.271
 2004   1HB   SER 112          1HB       SER 112  25.410  11.166   1.830
 2005   2HB   SER 112          2HB       SER 112  25.057   9.876   2.977
 2006    HG   SER 112           HG       SER 112  27.115   9.456   3.175
 2007    H    ARG 113           H        ARG 113  25.802   9.365  -1.549
 2008    HA   ARG 113           HA       ARG 113  27.552   8.620  -2.955
 2009   1HB   ARG 113          1HB       ARG 113  28.376  10.468  -1.143
 2010   2HB   ARG 113          2HB       ARG 113  29.475   9.149  -0.743
 2011   1HG   ARG 113          1HG       ARG 113  30.660  10.264  -2.423
 2012   2HG   ARG 113          2HG       ARG 113  29.820   9.016  -3.343
 2013   1HD   ARG 113          1HD       ARG 113  27.919  10.855  -3.515
 2014   2HD   ARG 113          2HD       ARG 113  29.269  11.965  -3.213
 2015    HE   ARG 113           HE       ARG 113  30.090  10.036  -5.154
 2016   1HH1  ARG 113          1HH1      ARG 113  27.916  12.731  -4.787
 2017   2HH1  ARG 113          2HH1      ARG 113  27.977  13.149  -6.464
 2018   1HH2  ARG 113          1HH2      ARG 113  30.152  10.600  -7.326
 2019   2HH2  ARG 113          2HH2      ARG 113  29.232  11.954  -7.892
 2020    HA   PRO 114           HA       PRO 114  28.232   4.756  -0.317
 2021   1HB   PRO 114          1HB       PRO 114  26.288   3.130  -1.358
 2022   2HB   PRO 114          2HB       PRO 114  26.011   4.179   0.045
 2023   1HG   PRO 114          1HG       PRO 114  25.246   4.572  -2.806
 2024   2HG   PRO 114          2HG       PRO 114  24.348   4.971  -1.335
 2025   1HD   PRO 114          1HD       PRO 114  25.737   6.800  -2.834
 2026   2HD   PRO 114          2HD       PRO 114  25.394   6.990  -1.102
 2027    H    ARG 115           H        ARG 115  29.465   3.019  -1.163
 2028    HA   ARG 115           HA       ARG 115  29.614   2.836  -4.154
 2029   1HB   ARG 115          1HB       ARG 115  31.759   3.015  -2.021
 2030   2HB   ARG 115          2HB       ARG 115  32.114   2.421  -3.643
 2031   1HG   ARG 115          1HG       ARG 115  30.907   5.124  -2.974
 2032   2HG   ARG 115          2HG       ARG 115  32.572   4.838  -3.480
 2033   1HD   ARG 115          1HD       ARG 115  31.279   3.591  -5.508
 2034   2HD   ARG 115          2HD       ARG 115  30.079   4.835  -5.104
 2035    HE   ARG 115           HE       ARG 115  32.816   5.859  -5.197
 2036   1HH1  ARG 115          1HH1      ARG 115  29.956   5.119  -7.039
 2037   2HH1  ARG 115          2HH1      ARG 115  30.335   6.252  -8.288
 2038   1HH2  ARG 115          1HH2      ARG 115  33.286   7.323  -6.831
 2039   2HH2  ARG 115          2HH2      ARG 115  32.206   7.492  -8.175
 2040    H    LEU 116           H        LEU 116  30.158   1.198  -1.039
 2041    HA   LEU 116           HA       LEU 116  30.221  -1.105  -0.504
 2042   1HB   LEU 116          1HB       LEU 116  28.101  -0.525  -2.478
 2043   2HB   LEU 116          2HB       LEU 116  28.545  -2.229  -2.385
 2044    HG   LEU 116           HG       LEU 116  28.441  -1.619   0.259
 2045   1HD1  LEU 116          1HD1      LEU 116  26.065  -0.345   0.201
 2046   2HD1  LEU 116          2HD1      LEU 116  26.812   0.388  -1.218
 2047   3HD1  LEU 116          3HD1      LEU 116  27.596   0.515   0.356
 2048   1HD2  LEU 116          1HD2      LEU 116  27.255  -3.425  -1.136
 2049   2HD2  LEU 116          2HD2      LEU 116  25.934  -2.269  -1.300
 2050   3HD2  LEU 116          3HD2      LEU 116  26.405  -2.849   0.297
 2051    H    THR 117           H        THR 117  32.341  -0.213  -2.291
 2052    HA   THR 117           HA       THR 117  32.760  -2.744  -3.847
 2053    HB   THR 117           HB       THR 117  33.664   0.065  -4.576
 2054    HG1  THR 117           HG1      THR 117  31.762   0.331  -5.377
 2055   1HG2  THR 117          1HG2      THR 117  34.880  -2.033  -5.460
 2056   2HG2  THR 117          2HG2      THR 117  34.314  -0.869  -6.658
 2057   3HG2  THR 117          3HG2      THR 117  33.403  -2.351  -6.370
 2058    H    GLN 118           H        GLN 118  34.992  -3.436  -3.956
 2059    HA   GLN 118           HA       GLN 118  36.796  -2.113  -1.956
 2060   1HB   GLN 118          1HB       GLN 118  35.579  -4.679  -1.957
 2061   2HB   GLN 118          2HB       GLN 118  37.287  -4.943  -2.306
 2062   1HG   GLN 118          1HG       GLN 118  36.393  -3.130  -0.062
 2063   2HG   GLN 118          2HG       GLN 118  36.594  -4.866   0.179
 2064   1HE2  GLN 118          1HE2      GLN 118  38.459  -4.485   1.613
 2065   2HE2  GLN 118          2HE2      GLN 118  39.959  -4.009   0.979
 2066    H    ASN 119           H        ASN 119  38.927  -1.840  -2.634
 2067    HA   ASN 119           HA       ASN 119  39.783  -3.148  -5.178
 2068   1HB   ASN 119          1HB       ASN 119  40.532  -0.910  -5.976
 2069   2HB   ASN 119          2HB       ASN 119  38.793  -0.938  -5.686
 2070   1HD2  ASN 119          1HD2      ASN 119  38.022   0.735  -4.383
 2071   2HD2  ASN 119          2HD2      ASN 119  38.967   1.646  -3.307
 2072   1H    GLY 201          1H        GLY 201  20.557  36.279   9.216
 2073   2H    GLY 201          2H        GLY 201  19.400  35.181   8.632
 2074   3H    GLY 201          3H        GLY 201  20.281  36.145   7.546
 2075   1HA   GLY 201          1HA       GLY 201  22.341  35.028   8.256
 2076   2HA   GLY 201          2HA       GLY 201  21.350  33.964   9.253
 2077    H    LYS 202           H        LYS 202  22.987  33.065   7.071
 2078    HA   LYS 202           HA       LYS 202  20.853  32.074   5.209
 2079   1HB   LYS 202          1HB       LYS 202  22.941  33.787   4.625
 2080   2HB   LYS 202          2HB       LYS 202  23.624  32.217   4.200
 2081   1HG   LYS 202          1HG       LYS 202  22.491  32.374   2.253
 2082   2HG   LYS 202          2HG       LYS 202  21.016  32.137   3.191
 2083   1HD   LYS 202          1HD       LYS 202  22.284  34.861   2.853
 2084   2HD   LYS 202          2HD       LYS 202  21.100  34.230   1.708
 2085   1HE   LYS 202          1HE       LYS 202  19.409  34.070   3.429
 2086   2HE   LYS 202          2HE       LYS 202  20.596  34.427   4.698
 2087   1HZ   LYS 202          1HZ       LYS 202  19.951  36.228   2.418
 2088   2HZ   LYS 202          2HZ       LYS 202  20.998  36.573   3.710
 2089   3HZ   LYS 202          3HZ       LYS 202  19.330  36.412   3.988
 2090    H    ALA 203           H        ALA 203  20.610  29.917   5.664
 2091    HA   ALA 203           HA       ALA 203  21.169  27.676   6.159
 2092   1HB   ALA 203          1HB       ALA 203  22.343  28.197   3.963
 2093   2HB   ALA 203          2HB       ALA 203  23.093  26.905   4.899
 2094   3HB   ALA 203          3HB       ALA 203  23.802  28.519   4.900
 2095    HA   PRO 204           HA       PRO 204  23.315  28.902  10.026
 2096   1HB   PRO 204          1HB       PRO 204  21.885  26.478  10.986
 2097   2HB   PRO 204          2HB       PRO 204  21.904  28.113  11.670
 2098   1HG   PRO 204          1HG       PRO 204  19.768  27.117  10.382
 2099   2HG   PRO 204          2HG       PRO 204  20.194  28.833  10.330
 2100   1HD   PRO 204          1HD       PRO 204  20.533  26.733   8.249
 2101   2HD   PRO 204          2HD       PRO 204  20.181  28.465   8.067
 2102    H    ARG 205           H        ARG 205  22.872  25.616   8.699
 2103    HA   ARG 205           HA       ARG 205  25.720  25.044   9.454
 2104   1HB   ARG 205          1HB       ARG 205  23.186  23.727  10.095
 2105   2HB   ARG 205          2HB       ARG 205  24.329  22.615   9.343
 2106   1HG   ARG 205          1HG       ARG 205  25.395  22.453  11.320
 2107   2HG   ARG 205          2HG       ARG 205  25.824  24.158  11.186
 2108   1HD   ARG 205          1HD       ARG 205  24.234  24.791  12.707
 2109   2HD   ARG 205          2HD       ARG 205  23.041  23.642  12.072
 2110    HE   ARG 205           HE       ARG 205  25.129  22.132  13.260
 2111   1HH1  ARG 205          1HH1      ARG 205  22.653  24.397  14.187
 2112   2HH1  ARG 205          2HH1      ARG 205  22.491  23.738  15.777
 2113   1HH2  ARG 205          1HH2      ARG 205  24.900  21.294  15.331
 2114   2HH2  ARG 205          2HH2      ARG 205  23.752  21.995  16.422
 2115    H    LYS 206           H        LYS 206  24.312  25.956   6.871
 2116    HA   LYS 206           HA       LYS 206  24.432  25.447   4.566
 2117   1HB   LYS 206          1HB       LYS 206  26.840  24.553   5.984
 2118   2HB   LYS 206          2HB       LYS 206  26.585  23.674   4.476
 2119   1HG   LYS 206          1HG       LYS 206  26.326  25.848   3.289
 2120   2HG   LYS 206          2HG       LYS 206  26.680  26.689   4.798
 2121   1HD   LYS 206          1HD       LYS 206  28.528  24.738   3.390
 2122   2HD   LYS 206          2HD       LYS 206  28.709  26.492   3.405
 2123   1HE   LYS 206          1HE       LYS 206  28.593  26.126   6.050
 2124   2HE   LYS 206          2HE       LYS 206  29.194  24.518   5.605
 2125   1HZ   LYS 206          1HZ       LYS 206  30.790  25.780   4.097
 2126   2HZ   LYS 206          2HZ       LYS 206  31.108  25.843   5.765
 2127   3HZ   LYS 206          3HZ       LYS 206  30.377  27.165   4.989
 2128    H    GLN 207           H        GLN 207  22.358  24.091   5.186
 2129    HA   GLN 207           HA       GLN 207  22.761  21.167   5.076
 2130   1HB   GLN 207          1HB       GLN 207  20.676  23.131   5.759
 2131   2HB   GLN 207          2HB       GLN 207  20.049  21.728   4.893
 2132   1HG   GLN 207          1HG       GLN 207  21.899  21.485   7.276
 2133   2HG   GLN 207          2HG       GLN 207  20.143  21.504   7.433
 2134   1HE2  GLN 207          1HE2      GLN 207  19.134  19.897   5.558
 2135   2HE2  GLN 207          2HE2      GLN 207  19.837  18.352   5.561
 2136    H    LEU 208           H        LEU 208  23.374  20.547   2.994
 2137    HA   LEU 208           HA       LEU 208  22.474  21.789   0.569
 2138   1HB   LEU 208          1HB       LEU 208  24.281  19.819   1.425
 2139   2HB   LEU 208          2HB       LEU 208  23.166  18.959   0.364
 2140    HG   LEU 208           HG       LEU 208  25.050  19.895  -0.925
 2141   1HD1  LEU 208          1HD1      LEU 208  22.449  19.974  -1.616
 2142   2HD1  LEU 208          2HD1      LEU 208  23.724  20.574  -2.677
 2143   3HD1  LEU 208          3HD1      LEU 208  22.804  21.701  -1.681
 2144   1HD2  LEU 208          1HD2      LEU 208  25.702  22.109  -0.821
 2145   2HD2  LEU 208          2HD2      LEU 208  25.094  21.916   0.823
 2146   3HD2  LEU 208          3HD2      LEU 208  24.084  22.675  -0.407
 2147    H    ALA 209           H        ALA 209  20.163  21.917   0.585
 2148    HA   ALA 209           HA       ALA 209  18.446  19.660   1.137
 2149   1HB   ALA 209          1HB       ALA 209  17.584  21.879   1.351
 2150   2HB   ALA 209          2HB       ALA 209  16.799  21.234  -0.091
 2151   3HB   ALA 209          3HB       ALA 209  18.165  22.339  -0.250
 2152    H    THR 210           H        THR 210  17.505  18.195  -0.316
 2153    HA   THR 210           HA       THR 210  18.508  18.305  -3.145
 2154    HB   THR 210           HB       THR 210  18.154  15.696  -2.786
 2155    HG1  THR 210           HG1      THR 210  18.726  15.277  -0.528
 2156   1HG2  THR 210          1HG2      THR 210  20.476  16.893  -1.294
 2157   2HG2  THR 210          2HG2      THR 210  20.320  17.154  -3.031
 2158   3HG2  THR 210          3HG2      THR 210  20.456  15.515  -2.394
 2159    H    LYS 211           H        LYS 211  16.463  19.444  -3.679
 2160    HA   LYS 211           HA       LYS 211  13.918  18.032  -3.245
 2161   1HB   LYS 211          1HB       LYS 211  14.731  20.505  -4.820
 2162   2HB   LYS 211          2HB       LYS 211  13.063  20.011  -4.524
 2163   1HG   LYS 211          1HG       LYS 211  15.036  20.462  -2.277
 2164   2HG   LYS 211          2HG       LYS 211  14.027  21.759  -2.917
 2165   1HD   LYS 211          1HD       LYS 211  12.298  19.564  -2.512
 2166   2HD   LYS 211          2HD       LYS 211  13.315  19.648  -1.074
 2167   1HE   LYS 211          1HE       LYS 211  12.048  22.150  -2.200
 2168   2HE   LYS 211          2HE       LYS 211  11.153  21.093  -1.091
 2169   1HZ   LYS 211          1HZ       LYS 211  12.484  22.823   0.063
 2170   2HZ   LYS 211          2HZ       LYS 211  13.895  22.134  -0.584
 2171   3HZ   LYS 211          3HZ       LYS 211  12.932  21.243   0.494
 2172    H    ALA 212           H        ALA 212  15.033  16.094  -4.509
 2173    HA   ALA 212           HA       ALA 212  13.860  16.066  -7.191
 2174   1HB   ALA 212          1HB       ALA 212  16.238  15.482  -8.122
 2175   2HB   ALA 212          2HB       ALA 212  16.826  16.279  -6.663
 2176   3HB   ALA 212          3HB       ALA 212  15.850  17.177  -7.825
 2177    H    ALA 213           H        ALA 213  12.974  14.045  -7.210
 2178    HA   ALA 213           HA       ALA 213  12.727  11.720  -6.884
 2179   1HB   ALA 213          1HB       ALA 213  14.773  11.944  -8.368
 2180   2HB   ALA 213          2HB       ALA 213  14.753  10.476  -7.391
 2181   3HB   ALA 213          3HB       ALA 213  15.764  11.840  -6.913
 2182    H    ARG 214           H        ARG 214  13.455   9.876  -5.339
 2183    HA   ARG 214           HA       ARG 214  14.461  10.926  -2.732
 2184   1HB   ARG 214          1HB       ARG 214  11.766   9.845  -3.456
 2185   2HB   ARG 214          2HB       ARG 214  12.418   9.395  -1.880
 2186   1HG   ARG 214          1HG       ARG 214  12.300  11.541  -1.069
 2187   2HG   ARG 214          2HG       ARG 214  12.642  12.264  -2.641
 2188   1HD   ARG 214          1HD       ARG 214  10.335  11.657  -3.389
 2189   2HD   ARG 214          2HD       ARG 214  10.002  11.036  -1.761
 2190    HE   ARG 214           HE       ARG 214  10.202  13.851  -2.509
 2191   1HH1  ARG 214          1HH1      ARG 214  10.666  11.523   0.038
 2192   2HH1  ARG 214          2HH1      ARG 214  10.480  12.696   1.294
 2193   1HH2  ARG 214          1HH2      ARG 214   9.964  15.356  -0.860
 2194   2HH2  ARG 214          2HH2      ARG 214  10.086  14.851   0.793
 2195   1HN   MLZ 215          1HN       MLZ 215  12.834   7.829  -3.334
 2196    HA   MLZ 215           HA       MLZ 215  15.203   6.382  -2.382
 2197   1HB   MLZ 215          1HB       MLZ 215  12.355   6.007  -2.705
 2198   2HB   MLZ 215          2HB       MLZ 215  13.210   4.645  -3.427
 2199   1HG   MLZ 215          1HG       MLZ 215  14.241   5.550  -0.798
 2200   2HG   MLZ 215          2HG       MLZ 215  14.009   3.913  -1.414
 2201   1HD   MLZ 215          1HD       MLZ 215  11.742   5.739  -0.566
 2202   2HD   MLZ 215          2HD       MLZ 215  11.623   4.034  -1.001
 2203   1HE   MLZ 215          1HE       MLZ 215  13.206   5.115   1.362
 2204   2HE   MLZ 215          2HE       MLZ 215  12.974   3.406   0.948
 2205    HZ   MLZ 215           HZ       MLZ 215  10.622   3.648   1.199
 2206   1HCM  MLZ 215          1HCM      MLZ 215  11.426   5.175   3.540
 2207   2HCM  MLZ 215          2HCM      MLZ 215  12.324   3.690   3.228
 2208   3HCM  MLZ 215          3HCM      MLZ 215  10.574   3.635   3.438
 2209    H    SER 216           H        SER 216  16.792   5.654  -3.730
 2210    HA   SER 216           HA       SER 216  17.865   4.870  -5.684
 2211   1HB   SER 216          1HB       SER 216  15.877   6.831  -6.888
 2212   2HB   SER 216          2HB       SER 216  17.397   7.294  -6.125
 2213    HG   SER 216           HG       SER 216  17.699   7.118  -8.338
 2214    H    ALA 217           H        ALA 217  16.696   4.677  -8.328
 2215    HA   ALA 217           HA       ALA 217  15.398   2.090  -8.098
 2216   1HB   ALA 217          1HB       ALA 217  13.580   3.649  -7.419
 2217   2HB   ALA 217          2HB       ALA 217  13.192   2.840  -8.938
 2218   3HB   ALA 217          3HB       ALA 217  13.760   4.510  -8.948
 2219    HA   PRO 218           HA       PRO 218  17.094   1.798 -12.149
 2220   1HB   PRO 218          1HB       PRO 218  14.742   0.107 -12.843
 2221   2HB   PRO 218          2HB       PRO 218  16.468  -0.291 -12.909
 2222   1HG   PRO 218          1HG       PRO 218  14.841  -1.280 -11.020
 2223   2HG   PRO 218          2HG       PRO 218  16.542  -0.910 -10.706
 2224   1HD   PRO 218          1HD       PRO 218  14.099   0.571  -9.882
 2225   2HD   PRO 218          2HD       PRO 218  15.656   0.396  -9.045
 2226    H    ALA 219           H        ALA 219  15.978   1.743 -14.577
 2227    HA   ALA 219           HA       ALA 219  13.600   3.434 -14.812
 2228   1HB   ALA 219          1HB       ALA 219  15.320   5.050 -14.110
 2229   2HB   ALA 219          2HB       ALA 219  14.891   5.341 -15.796
 2230   3HB   ALA 219          3HB       ALA 219  16.389   4.498 -15.399
 2231    H    THR 220           H        THR 220  12.672   2.459 -16.571
 2232    HA   THR 220           HA       THR 220  14.384   1.988 -18.981
 2233    HB   THR 220           HB       THR 220  14.085  -0.102 -17.680
 2234    HG1  THR 220           HG1      THR 220  14.028  -0.134 -19.997
 2235   1HG2  THR 220          1HG2      THR 220  11.997   0.493 -16.538
 2236   2HG2  THR 220          2HG2      THR 220  11.790  -1.023 -17.415
 2237   3HG2  THR 220          3HG2      THR 220  11.132   0.475 -18.074
 2238    H    GLY 221           H        GLY 221  12.385   0.952 -20.623
 2239   1HA   GLY 221          1HA       GLY 221  10.546   1.585 -21.938
 2240   2HA   GLY 221          2HA       GLY 221   9.902   2.388 -20.506
 2241   1HN   SAH 301          1HN       SAH 301 -10.604  -0.536  -8.533
 2242   2HN   SAH 301          2HN       SAH 301  -8.962  -0.133  -8.376
 2243    HA   SAH 301           HA       SAH 301 -11.113   1.850  -8.920
 2244   1HB   SAH 301          1HB       SAH 301 -10.453   0.363  -6.591
 2245   2HB   SAH 301          2HB       SAH 301  -9.817   1.989  -6.340
 2246   1HG   SAH 301          1HG       SAH 301 -12.304   1.482  -5.687
 2247   2HG   SAH 301          2HG       SAH 301 -12.600   1.615  -7.421
 2248   1H5*  SAH 301          1H5*      SAH 301 -14.218   3.056  -6.679
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.065   4.699  -6.060
 2250    H4*  SAH 301           H4*      SAH 301 -12.966   4.986  -8.477
 2251    H3*  SAH 301           H3*      SAH 301 -15.428   5.625  -7.116
 2252   *HO3  SAH 301          *HO3      SAH 301 -15.293   7.416  -8.538
 2253    H2*  SAH 301           H2*      SAH 301 -16.990   4.826  -8.503
 2254   *HO2  SAH 301          *HO2      SAH 301 -15.959   6.776  -9.855
 2255    H1*  SAH 301           H1*      SAH 301 -15.430   3.762 -10.681
 2256    H8   SAH 301           H8       SAH 301 -15.353   1.333  -7.966
 2257   1HN6  SAH 301          1HN6      SAH 301 -19.448  -1.426 -10.421
 2258   2HN6  SAH 301          2HN6      SAH 301 -20.415  -0.755  -9.126
 2259    H2   SAH 301           H2       SAH 301 -20.035   3.220 -11.896
 2260   1HN   SAH 302          1HN       SAH 302  10.426  -0.499   8.473
 2261   2HN   SAH 302          2HN       SAH 302   8.782  -0.115   8.284
 2262    HA   SAH 302           HA       SAH 302  10.906   1.884   8.871
 2263   1HB   SAH 302          1HB       SAH 302  10.302   0.390   6.530
 2264   2HB   SAH 302          2HB       SAH 302   9.659   2.010   6.263
 2265   1HG   SAH 302          1HG       SAH 302  12.163   1.521   5.661
 2266   2HG   SAH 302          2HG       SAH 302  12.423   1.661   7.400
 2267   1H5*  SAH 302          1H5*      SAH 302  14.043   3.114   6.688
 2268   2H5*  SAH 302          2H5*      SAH 302  13.890   4.754   6.061
 2269    H4*  SAH 302           H4*      SAH 302  12.740   5.038   8.454
 2270    H3*  SAH 302           H3*      SAH 302  15.223   5.694   7.142
 2271   *HO3  SAH 302          *HO3      SAH 302  15.044   7.488   8.557
 2272    H2*  SAH 302           H2*      SAH 302  16.764   4.912   8.563
 2273   *HO2  SAH 302          *HO2      SAH 302  15.688   6.856   9.888
 2274    H1*  SAH 302           H1*      SAH 302  15.167   3.840  10.712
 2275    H8   SAH 302           H8       SAH 302  15.166   1.403   8.003
 2276   1HN6  SAH 302          1HN6      SAH 302  19.233  -1.314  10.550
 2277   2HN6  SAH 302          2HN6      SAH 302  20.220  -0.639   9.274
 2278    H2   SAH 302           H2       SAH 302  19.751   3.340  12.024
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1  -2.743  -9.883  -5.515
    2   2H    MET   1          2H        MET   1  -1.851  -8.921  -6.592
    3   3H    MET   1          3H        MET   1  -1.209 -10.392  -6.035
    4    HA   MET   1           HA       MET   1  -3.361  -9.933  -8.005
    5   1HB   MET   1          1HB       MET   1  -0.691 -11.286  -7.742
    6   2HB   MET   1          2HB       MET   1  -1.828 -11.882  -8.951
    7   1HG   MET   1          1HG       MET   1  -0.690 -10.261 -10.178
    8   2HG   MET   1          2HG       MET   1  -2.049  -9.321  -9.561
    9   1HE   MET   1          1HE       MET   1  -1.485  -7.003  -7.756
   10   2HE   MET   1          2HE       MET   1  -1.652  -7.364  -9.474
   11   3HE   MET   1          3HE       MET   1  -0.272  -6.429  -8.900
   12    H    PHE   2           H        PHE   2  -1.879 -12.997  -6.997
   13    HA   PHE   2           HA       PHE   2  -4.592 -13.912  -6.097
   14   1HB   PHE   2          1HB       PHE   2  -4.078 -16.021  -7.317
   15   2HB   PHE   2          2HB       PHE   2  -4.056 -14.630  -8.401
   16    HD1  PHE   2           HD1      PHE   2  -1.989 -17.114  -6.618
   17    HD2  PHE   2           HD2      PHE   2  -1.978 -13.806  -9.358
   18    HE1  PHE   2           HE1      PHE   2   0.353 -17.639  -7.242
   19    HE2  PHE   2           HE2      PHE   2   0.364 -14.332  -9.982
   20    HZ   PHE   2           HZ       PHE   2   1.530 -16.248  -8.925
   21    H    ASN   3           H        ASN   3  -4.578 -15.098  -4.216
   22    HA   ASN   3           HA       ASN   3  -2.053 -16.344  -3.266
   23   1HB   ASN   3          1HB       ASN   3  -2.361 -15.150  -1.069
   24   2HB   ASN   3          2HB       ASN   3  -2.015 -14.051  -2.405
   25   1HD2  ASN   3          1HD2      ASN   3  -4.275 -14.763   0.095
   26   2HD2  ASN   3          2HD2      ASN   3  -5.497 -13.693  -0.398
   27    H    ASP   4           H        ASP   4  -2.509 -17.767  -1.341
   28    HA   ASP   4           HA       ASP   4  -4.864 -19.375  -1.742
   29   1HB   ASP   4          1HB       ASP   4  -2.511 -19.928  -0.799
   30   2HB   ASP   4          2HB       ASP   4  -3.121 -19.300   0.732
   31    H    ARG   5           H        ARG   5  -6.180 -17.141  -1.460
   32    HA   ARG   5           HA       ARG   5  -7.845 -17.409   0.852
   33   1HB   ARG   5          1HB       ARG   5  -5.419 -16.285   1.476
   34   2HB   ARG   5          2HB       ARG   5  -6.353 -14.862   1.075
   35   1HG   ARG   5          1HG       ARG   5  -6.619 -15.227   3.428
   36   2HG   ARG   5          2HG       ARG   5  -8.141 -15.661   2.648
   37   1HD   ARG   5          1HD       ARG   5  -7.169 -18.039   2.526
   38   2HD   ARG   5          2HD       ARG   5  -6.005 -17.490   3.743
   39    HE   ARG   5           HE       ARG   5  -8.552 -16.622   4.603
   40   1HH1  ARG   5          1HH1      ARG   5  -6.897 -19.623   3.991
   41   2HH1  ARG   5          2HH1      ARG   5  -7.813 -20.495   5.172
   42   1HH2  ARG   5          1HH2      ARG   5  -9.725 -17.774   6.128
   43   2HH2  ARG   5          2HH2      ARG   5  -9.402 -19.458   6.374
   44    H    VAL   6           H        VAL   6  -6.487 -15.204  -1.577
   45    HA   VAL   6           HA       VAL   6  -9.208 -14.492  -2.488
   46    HB   VAL   6           HB       VAL   6  -7.251 -12.562  -1.181
   47   1HG1  VAL   6          1HG1      VAL   6  -9.693 -11.987  -2.882
   48   2HG1  VAL   6          2HG1      VAL   6  -8.042 -11.434  -3.159
   49   3HG1  VAL   6          3HG1      VAL   6  -8.967 -10.801  -1.798
   50   1HG2  VAL   6          1HG2      VAL   6 -10.009 -13.585  -0.571
   51   2HG2  VAL   6          2HG2      VAL   6  -9.527 -11.986  -0.008
   52   3HG2  VAL   6          3HG2      VAL   6  -8.623 -13.410   0.507
   53    H    ILE   7           H        ILE   7  -9.016 -12.982  -4.441
   54    HA   ILE   7           HA       ILE   7  -6.353 -13.047  -5.773
   55    HB   ILE   7           HB       ILE   7  -7.498 -15.110  -6.434
   56   1HG1  ILE   7          1HG1      ILE   7  -7.832 -13.095  -8.669
   57   2HG1  ILE   7          2HG1      ILE   7  -6.267 -13.732  -8.165
   58   1HG2  ILE   7          1HG2      ILE   7  -9.776 -13.286  -7.257
   59   2HG2  ILE   7          2HG2      ILE   7  -9.788 -14.366  -5.864
   60   3HG2  ILE   7          3HG2      ILE   7  -9.717 -15.032  -7.495
   61   1HD1  ILE   7          1HD1      ILE   7  -8.580 -15.518  -8.950
   62   2HD1  ILE   7          2HD1      ILE   7  -6.887 -15.969  -8.753
   63   3HD1  ILE   7          3HD1      ILE   7  -7.377 -14.954 -10.110
   64    H    VAL   8           H        VAL   8  -6.118 -11.312  -7.274
   65    HA   VAL   8           HA       VAL   8  -8.114  -9.161  -6.967
   66    HB   VAL   8           HB       VAL   8  -5.415  -9.335  -8.357
   67   1HG1  VAL   8          1HG1      VAL   8  -7.466  -7.364  -8.522
   68   2HG1  VAL   8          2HG1      VAL   8  -5.822  -7.270  -9.155
   69   3HG1  VAL   8          3HG1      VAL   8  -6.172  -6.692  -7.527
   70   1HG2  VAL   8          1HG2      VAL   8  -5.485  -7.659  -6.029
   71   2HG2  VAL   8          2HG2      VAL   8  -4.527  -9.114  -6.301
   72   3HG2  VAL   8          3HG2      VAL   8  -6.143  -9.240  -5.605
   73    H    LYS   9           H        LYS   9  -9.863  -9.515  -8.303
   74    HA   LYS   9           HA       LYS   9  -9.301  -9.790 -11.227
   75   1HB   LYS   9          1HB       LYS   9 -11.668 -10.835  -9.675
   76   2HB   LYS   9          2HB       LYS   9 -11.323 -11.122 -11.368
   77   1HG   LYS   9          1HG       LYS   9  -9.025 -11.836  -9.786
   78   2HG   LYS   9          2HG       LYS   9 -10.451 -12.646  -9.150
   79   1HD   LYS   9          1HD       LYS   9 -10.587 -12.773 -11.984
   80   2HD   LYS   9          2HD       LYS   9  -8.964 -13.272 -11.512
   81   1HE   LYS   9          1HE       LYS   9 -10.199 -14.730  -9.719
   82   2HE   LYS   9          2HE       LYS   9 -11.611 -14.511 -10.770
   83   1HZ   LYS   9          1HZ       LYS   9  -8.931 -15.407 -11.703
   84   2HZ   LYS   9          2HZ       LYS   9 -10.346 -15.304 -12.637
   85   3HZ   LYS   9          3HZ       LYS   9 -10.231 -16.455 -11.393
   86    H    LYS  10           H        LYS  10 -11.453  -6.960 -11.756
   87    HA   LYS  10           HA       LYS  10 -10.553  -7.595 -13.794
   88   1HB   LYS  10          1HB       LYS  10  -8.286  -8.717 -12.123
   89   2HB   LYS  10          2HB       LYS  10  -8.213  -8.038 -13.732
   90   1HG   LYS  10          1HG       LYS  10  -8.008  -5.954 -12.952
   91   2HG   LYS  10          2HG       LYS  10  -9.377  -6.154 -11.867
   92   1HD   LYS  10          1HD       LYS  10  -7.561  -5.819 -10.399
   93   2HD   LYS  10          2HD       LYS  10  -7.754  -7.572 -10.423
   94   1HE   LYS  10          1HE       LYS  10  -5.991  -6.476 -12.542
   95   2HE   LYS  10          2HE       LYS  10  -5.367  -6.345 -10.886
   96   1HZ   LYS  10          1HZ       LYS  10  -4.779  -8.497 -11.565
   97   2HZ   LYS  10          2HZ       LYS  10  -6.270  -8.770 -12.331
   98   3HZ   LYS  10          3HZ       LYS  10  -6.181  -8.732 -10.636
   99    H    SER  11           H        SER  11 -12.471  -9.395 -13.088
  100    HA   SER  11           HA       SER  11 -11.274 -12.071 -13.662
  101   1HB   SER  11          1HB       SER  11 -13.346 -11.118 -11.958
  102   2HB   SER  11          2HB       SER  11 -14.119 -12.104 -13.198
  103    HG   SER  11           HG       SER  11 -13.000 -13.826 -12.572
  104    HA   PRO  12           HA       PRO  12 -14.268 -11.530 -17.224
  105   1HB   PRO  12          1HB       PRO  12 -16.249  -9.693 -17.208
  106   2HB   PRO  12          2HB       PRO  12 -16.368 -11.164 -16.222
  107   1HG   PRO  12          1HG       PRO  12 -15.756  -8.378 -15.410
  108   2HG   PRO  12          2HG       PRO  12 -16.602  -9.651 -14.524
  109   1HD   PRO  12          1HD       PRO  12 -13.901  -8.878 -14.228
  110   2HD   PRO  12          2HD       PRO  12 -14.697 -10.285 -13.508
  111    H    LEU  13           H        LEU  13 -11.943  -9.731 -16.685
  112    HA   LEU  13           HA       LEU  13 -10.758  -7.998 -17.769
  113   1HB   LEU  13          1HB       LEU  13 -12.539  -9.312 -19.658
  114   2HB   LEU  13          2HB       LEU  13 -12.317  -7.618 -20.096
  115    HG   LEU  13           HG       LEU  13  -9.941  -9.305 -19.343
  116   1HD1  LEU  13          1HD1      LEU  13 -10.820  -9.010 -22.202
  117   2HD1  LEU  13          2HD1      LEU  13 -11.467 -10.325 -21.221
  118   3HD1  LEU  13          3HD1      LEU  13  -9.728 -10.200 -21.493
  119   1HD2  LEU  13          1HD2      LEU  13 -10.486  -6.778 -20.887
  120   2HD2  LEU  13          2HD2      LEU  13  -8.995  -7.681 -21.156
  121   3HD2  LEU  13          3HD2      LEU  13  -9.360  -7.039 -19.555
  122    H    GLY  14           H        GLY  14 -12.449  -7.056 -15.821
  123   1HA   GLY  14          1HA       GLY  14 -13.790  -4.703 -17.094
  124   2HA   GLY  14          2HA       GLY  14 -14.352  -5.445 -15.600
  125    H    GLY  15           H        GLY  15 -13.855  -4.198 -13.885
  126   1HA   GLY  15          1HA       GLY  15 -11.504  -2.401 -14.055
  127   2HA   GLY  15          2HA       GLY  15 -12.817  -2.272 -12.891
  128    H    TYR  16           H        TYR  16 -11.339  -2.236 -11.100
  129    HA   TYR  16           HA       TYR  16  -9.838  -4.795 -10.640
  130   1HB   TYR  16          1HB       TYR  16  -9.362  -1.892 -10.182
  131   2HB   TYR  16          2HB       TYR  16  -8.789  -2.967  -8.907
  132    HD1  TYR  16           HD1      TYR  16  -8.922  -3.061 -12.664
  133    HD2  TYR  16           HD2      TYR  16  -6.554  -3.556  -9.115
  134    HE1  TYR  16           HE1      TYR  16  -6.961  -3.666 -14.057
  135    HE2  TYR  16           HE2      TYR  16  -4.593  -4.161 -10.507
  136    HH   TYR  16           HH       TYR  16  -4.804  -5.037 -13.696
  137    H    GLY  17           H        GLY  17 -11.091  -6.065  -9.291
  138   1HA   GLY  17          1HA       GLY  17 -12.065  -4.815  -6.765
  139   2HA   GLY  17          2HA       GLY  17 -13.166  -5.823  -7.706
  140    H    VAL  18           H        VAL  18 -12.736  -6.732  -5.185
  141    HA   VAL  18           HA       VAL  18 -10.480  -8.680  -5.313
  142    HB   VAL  18           HB       VAL  18 -12.428  -7.862  -3.128
  143   1HG1  VAL  18          1HG1      VAL  18 -11.031  -9.121  -1.612
  144   2HG1  VAL  18          2HG1      VAL  18  -9.876  -9.475  -2.896
  145   3HG1  VAL  18          3HG1      VAL  18 -11.485 -10.195  -2.936
  146   1HG2  VAL  18          1HG2      VAL  18  -9.593  -7.255  -2.777
  147   2HG2  VAL  18          2HG2      VAL  18 -10.992  -6.193  -2.618
  148   3HG2  VAL  18          3HG2      VAL  18 -10.271  -6.470  -4.203
  149    H    PHE  19           H        PHE  19 -10.885 -10.813  -5.771
  150    HA   PHE  19           HA       PHE  19 -13.747 -11.682  -5.896
  151   1HB   PHE  19          1HB       PHE  19 -11.288 -12.091  -7.480
  152   2HB   PHE  19          2HB       PHE  19 -12.224 -13.563  -7.221
  153    HD1  PHE  19           HD1      PHE  19 -13.326 -10.003  -7.590
  154    HD2  PHE  19           HD2      PHE  19 -13.387 -13.976  -9.223
  155    HE1  PHE  19           HE1      PHE  19 -14.942  -9.267  -9.321
  156    HE2  PHE  19           HE2      PHE  19 -15.003 -13.240 -10.954
  157    HZ   PHE  19           HZ       PHE  19 -15.779 -10.884 -11.005
  158    H    ALA  20           H        ALA  20 -14.404 -13.317  -4.552
  159    HA   ALA  20           HA       ALA  20 -12.407 -14.461  -2.675
  160   1HB   ALA  20          1HB       ALA  20 -15.222 -15.181  -2.331
  161   2HB   ALA  20          2HB       ALA  20 -15.005 -13.438  -2.493
  162   3HB   ALA  20          3HB       ALA  20 -14.152 -14.319  -1.225
  163    H    ARG  21           H        ARG  21 -11.461 -16.050  -4.139
  164    HA   ARG  21           HA       ARG  21 -12.896 -17.966  -5.681
  165   1HB   ARG  21          1HB       ARG  21 -10.253 -17.342  -4.964
  166   2HB   ARG  21          2HB       ARG  21 -10.489 -18.984  -4.366
  167   1HG   ARG  21          1HG       ARG  21 -10.796 -19.856  -6.479
  168   2HG   ARG  21          2HG       ARG  21 -11.490 -18.362  -7.109
  169   1HD   ARG  21          1HD       ARG  21  -9.084 -17.383  -6.753
  170   2HD   ARG  21          2HD       ARG  21  -8.587 -19.086  -6.740
  171    HE   ARG  21           HE       ARG  21  -9.614 -17.616  -9.052
  172   1HH1  ARG  21          1HH1      ARG  21  -9.288 -20.728  -7.525
  173   2HH1  ARG  21          2HH1      ARG  21  -9.421 -21.596  -9.015
  174   1HH2  ARG  21          1HH2      ARG  21  -9.785 -18.765 -10.973
  175   2HH2  ARG  21          2HH2      ARG  21  -9.701 -20.495 -10.954
  176    H    LYS  22           H        LYS  22 -12.272 -17.710  -2.252
  177    HA   LYS  22           HA       LYS  22 -13.125 -20.460  -1.636
  178   1HB   LYS  22          1HB       LYS  22 -12.656 -18.030   0.145
  179   2HB   LYS  22          2HB       LYS  22 -12.647 -19.715   0.655
  180   1HG   LYS  22          1HG       LYS  22 -10.762 -19.983  -1.143
  181   2HG   LYS  22          2HG       LYS  22 -10.606 -18.235  -0.973
  182   1HD   LYS  22          1HD       LYS  22  -9.078 -19.205   0.600
  183   2HD   LYS  22          2HD       LYS  22 -10.448 -18.616   1.539
  184   1HE   LYS  22          1HE       LYS  22 -11.146 -20.739   2.091
  185   2HE   LYS  22          2HE       LYS  22 -10.622 -21.421   0.540
  186   1HZ   LYS  22          1HZ       LYS  22  -9.136 -22.123   2.310
  187   2HZ   LYS  22          2HZ       LYS  22  -8.848 -20.508   2.748
  188   3HZ   LYS  22          3HZ       LYS  22  -8.315 -21.088   1.244
  189    H    SER  23           H        SER  23 -16.389 -19.535  -0.151
  190    HA   SER  23           HA       SER  23 -13.884 -21.130   0.199
  191   1HB   SER  23          1HB       SER  23 -16.370 -21.852   1.627
  192   2HB   SER  23          2HB       SER  23 -16.530 -21.827  -0.129
  193    HG   SER  23           HG       SER  23 -15.668 -23.804   1.112
  194    H    PHE  24           H        PHE  24 -15.941 -18.751   1.688
  195    HA   PHE  24           HA       PHE  24 -14.247 -18.866   4.158
  196   1HB   PHE  24          1HB       PHE  24 -15.559 -16.700   2.528
  197   2HB   PHE  24          2HB       PHE  24 -15.112 -16.386   4.193
  198    HD1  PHE  24           HD1      PHE  24 -12.605 -17.725   4.603
  199    HD2  PHE  24           HD2      PHE  24 -14.033 -15.710   1.088
  200    HE1  PHE  24           HE1      PHE  24 -10.265 -17.320   3.881
  201    HE2  PHE  24           HE2      PHE  24 -11.696 -15.305   0.369
  202    HZ   PHE  24           HZ       PHE  24  -9.814 -16.109   1.764
  203    H    GLU  25           H        GLU  25 -15.331 -18.609   6.189
  204    HA   GLU  25           HA       GLU  25 -18.183 -19.409   6.172
  205   1HB   GLU  25          1HB       GLU  25 -15.936 -19.974   7.715
  206   2HB   GLU  25          2HB       GLU  25 -16.856 -18.873   8.739
  207   1HG   GLU  25          1HG       GLU  25 -18.839 -20.279   8.537
  208   2HG   GLU  25          2HG       GLU  25 -18.002 -21.342   7.407
  209    H    LYS  26           H        LYS  26 -18.907 -18.155   8.637
  210    HA   LYS  26           HA       LYS  26 -19.591 -15.483   7.653
  211   1HB   LYS  26          1HB       LYS  26 -21.089 -17.047   8.945
  212   2HB   LYS  26          2HB       LYS  26 -20.054 -16.804  10.351
  213   1HG   LYS  26          1HG       LYS  26 -20.512 -14.375  10.263
  214   2HG   LYS  26          2HG       LYS  26 -21.555 -14.626   8.863
  215   1HD   LYS  26          1HD       LYS  26 -23.191 -15.736  10.116
  216   2HD   LYS  26          2HD       LYS  26 -22.057 -16.166  11.397
  217   1HE   LYS  26          1HE       LYS  26 -22.184 -14.065  12.395
  218   2HE   LYS  26          2HE       LYS  26 -22.588 -13.255  10.870
  219   1HZ   LYS  26          1HZ       LYS  26 -24.719 -14.436  10.879
  220   2HZ   LYS  26          2HZ       LYS  26 -24.555 -13.465  12.262
  221   3HZ   LYS  26          3HZ       LYS  26 -24.332 -15.145  12.373
  222    H    GLY  27           H        GLY  27 -16.833 -16.672   9.148
  223   1HA   GLY  27          1HA       GLY  27 -15.999 -13.970   9.916
  224   2HA   GLY  27          2HA       GLY  27 -16.119 -15.101  11.264
  225    H    GLU  28           H        GLU  28 -14.716 -14.942   7.969
  226    HA   GLU  28           HA       GLU  28 -12.377 -16.494   9.032
  227   1HB   GLU  28          1HB       GLU  28 -13.986 -16.541   6.506
  228   2HB   GLU  28          2HB       GLU  28 -12.260 -16.879   6.368
  229   1HG   GLU  28          1HG       GLU  28 -12.699 -18.477   8.414
  230   2HG   GLU  28          2HG       GLU  28 -14.371 -18.408   7.861
  231    H    LEU  29           H        LEU  29 -10.570 -15.236   9.177
  232    HA   LEU  29           HA       LEU  29 -10.302 -12.574   8.300
  233   1HB   LEU  29          1HB       LEU  29  -8.873 -13.773   9.949
  234   2HB   LEU  29          2HB       LEU  29  -8.172 -14.720   8.637
  235    HG   LEU  29           HG       LEU  29  -7.522 -12.485   7.568
  236   1HD1  LEU  29          1HD1      LEU  29  -7.863 -11.418  10.372
  237   2HD1  LEU  29          2HD1      LEU  29  -9.136 -11.246   9.164
  238   3HD1  LEU  29          3HD1      LEU  29  -7.554 -10.519   8.886
  239   1HD2  LEU  29          1HD2      LEU  29  -5.904 -13.962   8.715
  240   2HD2  LEU  29          2HD2      LEU  29  -6.313 -13.208  10.256
  241   3HD2  LEU  29          3HD2      LEU  29  -5.521 -12.263   8.995
  242    H    VAL  30           H        VAL  30 -10.043 -11.714   6.287
  243    HA   VAL  30           HA       VAL  30  -9.367 -13.547   4.027
  244    HB   VAL  30           HB       VAL  30 -10.547 -10.743   4.124
  245   1HG1  VAL  30          1HG1      VAL  30 -11.167 -11.158   1.799
  246   2HG1  VAL  30          2HG1      VAL  30 -10.468 -12.776   1.876
  247   3HG1  VAL  30          3HG1      VAL  30  -9.425 -11.358   1.984
  248   1HG2  VAL  30          1HG2      VAL  30 -12.086 -12.255   5.182
  249   2HG2  VAL  30          2HG2      VAL  30 -11.817 -13.485   3.948
  250   3HG2  VAL  30          3HG2      VAL  30 -12.674 -11.999   3.539
  251    H    GLU  31           H        GLU  31  -7.029 -13.326   4.909
  252    HA   GLU  31           HA       GLU  31  -4.857 -12.452   4.630
  253   1HB   GLU  31          1HB       GLU  31  -5.723 -12.580   2.263
  254   2HB   GLU  31          2HB       GLU  31  -6.244 -10.903   2.411
  255   1HG   GLU  31          1HG       GLU  31  -4.053 -10.990   1.327
  256   2HG   GLU  31          2HG       GLU  31  -3.899 -10.245   2.917
  257    H    GLU  32           H        GLU  32  -3.595 -10.391   4.832
  258    HA   GLU  32           HA       GLU  32  -5.083  -7.951   5.545
  259   1HB   GLU  32          1HB       GLU  32  -4.168  -8.008   7.882
  260   2HB   GLU  32          2HB       GLU  32  -5.277  -9.341   7.559
  261   1HG   GLU  32          1HG       GLU  32  -3.547 -10.918   7.427
  262   2HG   GLU  32          2HG       GLU  32  -2.327  -9.692   7.083
  263    H    CYS  33           H        CYS  33  -3.620  -6.128   5.841
  264    HA   CYS  33           HA       CYS  33  -0.732  -6.630   5.331
  265   1HB   CYS  33          1HB       CYS  33  -2.755  -5.686   3.439
  266   2HB   CYS  33          2HB       CYS  33  -1.422  -4.543   3.598
  267    HG   CYS  33           HG       CYS  33  -0.933  -7.555   2.891
  268    H    LEU  34           H        LEU  34  -0.041  -3.948   4.829
  269    HA   LEU  34           HA       LEU  34  -0.545  -2.753   7.503
  270   1HB   LEU  34          1HB       LEU  34   1.492  -2.541   5.316
  271   2HB   LEU  34          2HB       LEU  34   1.316  -1.192   6.436
  272    HG   LEU  34           HG       LEU  34   3.011  -2.824   7.214
  273   1HD1  LEU  34          1HD1      LEU  34   2.437  -2.354   9.345
  274   2HD1  LEU  34          2HD1      LEU  34   0.957  -3.306   9.230
  275   3HD1  LEU  34          3HD1      LEU  34   0.975  -1.635   8.669
  276   1HD2  LEU  34          1HD2      LEU  34   1.553  -4.771   6.191
  277   2HD2  LEU  34          2HD2      LEU  34   0.812  -4.776   7.792
  278   3HD2  LEU  34          3HD2      LEU  34   2.544  -5.068   7.619
  279    H    CYS  35           H        CYS  35  -0.458  -0.174   7.280
  280    HA   CYS  35           HA       CYS  35  -2.038   0.796   4.966
  281   1HB   CYS  35          1HB       CYS  35  -2.975   0.381   7.757
  282   2HB   CYS  35          2HB       CYS  35  -3.430   1.917   7.026
  283    HG   CYS  35           HG       CYS  35  -5.242   0.556   5.991
  284    H    ILE  36           H        ILE  36  -2.412   3.324   5.423
  285    HA   ILE  36           HA       ILE  36   0.198   4.352   6.493
  286    HB   ILE  36           HB       ILE  36  -1.667   5.538   4.406
  287   1HG1  ILE  36          1HG1      ILE  36   0.839   3.841   4.115
  288   2HG1  ILE  36          2HG1      ILE  36  -0.788   3.425   3.580
  289   1HG2  ILE  36          1HG2      ILE  36  -0.211   7.175   5.535
  290   2HG2  ILE  36          2HG2      ILE  36   0.314   6.933   3.869
  291   3HG2  ILE  36          3HG2      ILE  36   1.197   6.172   5.191
  292   1HD1  ILE  36          1HD1      ILE  36   1.208   4.830   2.122
  293   2HD1  ILE  36          2HD1      ILE  36  -0.082   5.981   2.472
  294   3HD1  ILE  36          3HD1      ILE  36  -0.447   4.480   1.622
  295    H    VAL  37           H        VAL  37   0.122   5.980   8.036
  296    HA   VAL  37           HA       VAL  37  -2.611   6.905   8.863
  297    HB   VAL  37           HB       VAL  37  -0.075   6.515  10.499
  298   1HG1  VAL  37          1HG1      VAL  37  -1.548   6.793  12.427
  299   2HG1  VAL  37          2HG1      VAL  37  -2.948   6.960  11.366
  300   3HG1  VAL  37          3HG1      VAL  37  -1.695   8.202  11.375
  301   1HG2  VAL  37          1HG2      VAL  37  -1.907   4.591   9.472
  302   2HG2  VAL  37          2HG2      VAL  37  -2.225   4.743  11.200
  303   3HG2  VAL  37          3HG2      VAL  37  -0.607   4.331  10.635
  304    H    ARG  38           H        ARG  38  -2.845   9.019   8.225
  305    HA   ARG  38           HA       ARG  38  -0.672  10.938   8.900
  306   1HB   ARG  38          1HB       ARG  38  -0.322  10.145   6.576
  307   2HB   ARG  38          2HB       ARG  38  -1.977  10.601   6.172
  308   1HG   ARG  38          1HG       ARG  38  -0.445  12.363   5.446
  309   2HG   ARG  38          2HG       ARG  38  -1.438  12.957   6.775
  310   1HD   ARG  38          1HD       ARG  38   0.478  13.478   7.875
  311   2HD   ARG  38          2HD       ARG  38   0.833  11.743   7.970
  312    HE   ARG  38           HE       ARG  38   1.474  12.630   5.341
  313   1HH1  ARG  38          1HH1      ARG  38   2.535  13.044   8.631
  314   2HH1  ARG  38          2HH1      ARG  38   4.175  13.356   8.179
  315   1HH2  ARG  38          1HH2      ARG  38   3.610  13.037   4.780
  316   2HH2  ARG  38          2HH2      ARG  38   4.781  13.353   6.016
  317    H    HIS  39           H        HIS  39  -1.471  13.186   8.899
  318    HA   HIS  39           HA       HIS  39  -4.140  13.433   9.980
  319   1HB   HIS  39          1HB       HIS  39  -1.984  15.365   9.069
  320   2HB   HIS  39          2HB       HIS  39  -3.480  15.906   9.830
  321    HD1  HIS  39           HD1      HIS  39  -0.920  16.472  11.339
  322    HD2  HIS  39           HD2      HIS  39  -3.053  12.923  11.818
  323    HE1  HIS  39           HE1      HIS  39  -0.252  15.534  13.595
  324    H    ASN  40           H        ASN  40  -5.366  15.558   8.961
  325    HA   ASN  40           HA       ASN  40  -6.257  14.667   6.297
  326   1HB   ASN  40          1HB       ASN  40  -7.131  16.938   8.125
  327   2HB   ASN  40          2HB       ASN  40  -8.039  16.321   6.746
  328   1HD2  ASN  40          1HD2      ASN  40  -8.266  16.221   9.952
  329   2HD2  ASN  40          2HD2      ASN  40  -8.768  14.620  10.207
  330    H    ASP  41           H        ASP  41  -6.991  17.682   5.831
  331    HA   ASP  41           HA       ASP  41  -6.079  19.498   4.644
  332   1HB   ASP  41          1HB       ASP  41  -4.522  19.103   6.806
  333   2HB   ASP  41          2HB       ASP  41  -3.330  18.748   5.556
  334    H    ASP  42           H        ASP  42  -3.139  19.251   3.672
  335    HA   ASP  42           HA       ASP  42  -3.515  18.531   1.030
  336   1HB   ASP  42          1HB       ASP  42  -1.171  18.305   2.927
  337   2HB   ASP  42          2HB       ASP  42  -0.992  17.927   1.214
  338    H    TRP  43           H        TRP  43  -3.145  16.343   3.763
  339    HA   TRP  43           HA       TRP  43  -2.465  13.949   2.361
  340   1HB   TRP  43          1HB       TRP  43  -2.369  14.172   4.791
  341   2HB   TRP  43          2HB       TRP  43  -4.098  14.508   4.867
  342    HD1  TRP  43           HD1      TRP  43  -5.569  12.501   5.364
  343    HE1  TRP  43           HE1      TRP  43  -5.335   9.942   5.171
  344    HE3  TRP  43           HE3      TRP  43  -0.968  12.198   3.170
  345    HZ2  TRP  43           HZ2      TRP  43  -3.447   8.022   4.212
  346    HZ3  TRP  43           HZ3      TRP  43   0.018   9.989   2.629
  347    HH2  TRP  43           HH2      TRP  43  -1.211   7.906   3.150
  348    H    GLY  44           H        GLY  44  -5.697  15.088   3.437
  349   1HA   GLY  44          1HA       GLY  44  -7.199  13.081   2.114
  350   2HA   GLY  44          2HA       GLY  44  -7.824  14.675   2.539
  351    H    THR  45           H        THR  45  -5.870  16.135   0.927
  352    HA   THR  45           HA       THR  45  -7.278  16.131  -1.597
  353    HB   THR  45           HB       THR  45  -4.624  17.344  -0.734
  354    HG1  THR  45           HG1      THR  45  -6.275  18.058   0.565
  355   1HG2  THR  45          1HG2      THR  45  -5.630  17.179  -3.285
  356   2HG2  THR  45          2HG2      THR  45  -4.559  18.459  -2.715
  357   3HG2  THR  45          3HG2      THR  45  -6.304  18.712  -2.734
  358    H    ALA  46           H        ALA  46  -3.749  15.659  -1.156
  359    HA   ALA  46           HA       ALA  46  -3.251  14.436  -3.640
  360   1HB   ALA  46          1HB       ALA  46  -1.427  15.144  -2.284
  361   2HB   ALA  46          2HB       ALA  46  -1.307  13.384  -2.269
  362   3HB   ALA  46          3HB       ALA  46  -2.006  14.233  -0.889
  363    H    LEU  47           H        LEU  47  -3.821  12.773  -0.509
  364    HA   LEU  47           HA       LEU  47  -4.198  10.208  -1.933
  365   1HB   LEU  47          1HB       LEU  47  -4.223  11.036   0.994
  366   2HB   LEU  47          2HB       LEU  47  -4.365   9.372   0.440
  367    HG   LEU  47           HG       LEU  47  -2.069   9.640   0.976
  368   1HD1  LEU  47          1HD1      LEU  47  -1.106   8.949  -0.978
  369   2HD1  LEU  47          2HD1      LEU  47  -1.731  10.321  -1.893
  370   3HD1  LEU  47          3HD1      LEU  47  -2.777   8.947  -1.540
  371   1HD2  LEU  47          1HD2      LEU  47  -2.421  12.261   0.847
  372   2HD2  LEU  47          2HD2      LEU  47  -1.714  12.053  -0.755
  373   3HD2  LEU  47          3HD2      LEU  47  -0.813  11.557   0.677
  374    H    GLU  48           H        GLU  48  -6.199  12.050  -2.632
  375    HA   GLU  48           HA       GLU  48  -8.552  11.838  -0.961
  376   1HB   GLU  48          1HB       GLU  48  -9.636  12.757  -3.023
  377   2HB   GLU  48          2HB       GLU  48  -8.169  13.637  -2.592
  378   1HG   GLU  48          1HG       GLU  48  -7.499  13.255  -4.721
  379   2HG   GLU  48          2HG       GLU  48  -7.224  11.592  -4.209
  380    H    ASP  49           H        ASP  49  -6.990   9.495  -2.854
  381    HA   ASP  49           HA       ASP  49  -9.545   7.994  -3.244
  382   1HB   ASP  49          1HB       ASP  49  -7.789   8.830  -5.141
  383   2HB   ASP  49          2HB       ASP  49  -7.059   7.279  -4.728
  384    H    TYR  50           H        TYR  50  -9.541   5.828  -2.564
  385    HA   TYR  50           HA       TYR  50  -8.921   3.982  -1.219
  386   1HB   TYR  50          1HB       TYR  50  -6.127   4.879  -2.018
  387   2HB   TYR  50          2HB       TYR  50  -6.626   3.248  -1.576
  388    HD1  TYR  50           HD1      TYR  50  -5.350   4.497  -4.239
  389    HD2  TYR  50           HD2      TYR  50  -9.274   3.184  -3.084
  390    HE1  TYR  50           HE1      TYR  50  -5.890   4.021  -6.612
  391    HE2  TYR  50           HE2      TYR  50  -9.813   2.709  -5.457
  392    HH   TYR  50           HH       TYR  50  -8.019   2.135  -7.671
  393    H    LEU  51           H        LEU  51  -9.262   6.543   0.100
  394    HA   LEU  51           HA       LEU  51  -7.240   6.294   2.305
  395   1HB   LEU  51          1HB       LEU  51  -7.462   8.358   0.623
  396   2HB   LEU  51          2HB       LEU  51  -8.756   8.819   1.729
  397    HG   LEU  51           HG       LEU  51  -7.084   8.486   3.624
  398   1HD1  LEU  51          1HD1      LEU  51  -5.185   7.421   2.992
  399   2HD1  LEU  51          2HD1      LEU  51  -4.688   8.979   2.331
  400   3HD1  LEU  51          3HD1      LEU  51  -5.454   7.783   1.287
  401   1HD2  LEU  51          1HD2      LEU  51  -7.673  10.680   2.131
  402   2HD2  LEU  51          2HD2      LEU  51  -5.928  10.596   1.890
  403   3HD2  LEU  51          3HD2      LEU  51  -6.588  10.717   3.521
  404    H    PHE  52           H        PHE  52  -8.169   5.630   4.191
  405    HA   PHE  52           HA       PHE  52 -11.110   5.952   4.563
  406   1HB   PHE  52          1HB       PHE  52  -8.911   4.254   5.763
  407   2HB   PHE  52          2HB       PHE  52 -10.495   4.361   6.531
  408    HD1  PHE  52           HD1      PHE  52 -12.538   3.629   5.291
  409    HD2  PHE  52           HD2      PHE  52  -8.582   3.020   3.732
  410    HE1  PHE  52           HE1      PHE  52 -13.428   1.966   3.681
  411    HE2  PHE  52           HE2      PHE  52  -9.473   1.357   2.123
  412    HZ   PHE  52           HZ       PHE  52 -11.896   0.831   2.097
  413    H    SER  53           H        SER  53 -11.880   7.420   6.054
  414    HA   SER  53           HA       SER  53  -9.898   9.030   7.563
  415   1HB   SER  53          1HB       SER  53 -11.728  10.597   7.733
  416   2HB   SER  53          2HB       SER  53 -11.778   9.942   6.098
  417    HG   SER  53           HG       SER  53 -13.327   8.407   6.909
  418    H    ARG  54           H        ARG  54  -9.563   8.710   9.709
  419    HA   ARG  54           HA       ARG  54 -11.477   6.979  11.202
  420   1HB   ARG  54          1HB       ARG  54  -9.137   6.233  11.016
  421   2HB   ARG  54          2HB       ARG  54  -8.569   7.784  11.626
  422   1HG   ARG  54          1HG       ARG  54  -8.530   6.062  13.393
  423   2HG   ARG  54          2HG       ARG  54  -9.669   7.342  13.790
  424   1HD   ARG  54          1HD       ARG  54 -11.463   5.831  12.687
  425   2HD   ARG  54          2HD       ARG  54 -10.257   4.539  12.817
  426    HE   ARG  54           HE       ARG  54 -11.668   5.805  15.047
  427   1HH1  ARG  54          1HH1      ARG  54  -8.776   4.160  14.025
  428   2HH1  ARG  54          2HH1      ARG  54  -8.402   3.595  15.616
  429   1HH2  ARG  54          1HH2      ARG  54 -11.162   5.060  17.104
  430   2HH2  ARG  54          2HH2      ARG  54  -9.742   4.099  17.348
  431    H    LYS  55           H        LYS  55 -11.625   7.647  13.631
  432    HA   LYS  55           HA       LYS  55 -12.419  10.454  13.757
  433   1HB   LYS  55          1HB       LYS  55 -12.365   8.074  15.634
  434   2HB   LYS  55          2HB       LYS  55 -12.896   9.662  16.187
  435   1HG   LYS  55          1HG       LYS  55 -14.227   9.231  13.741
  436   2HG   LYS  55          2HG       LYS  55 -14.342   7.704  14.618
  437   1HD   LYS  55          1HD       LYS  55 -14.831  10.190  16.184
  438   2HD   LYS  55          2HD       LYS  55 -16.073   9.727  15.020
  439   1HE   LYS  55          1HE       LYS  55 -16.822   8.146  16.460
  440   2HE   LYS  55          2HE       LYS  55 -15.226   7.372  16.442
  441   1HZ   LYS  55          1HZ       LYS  55 -15.926   9.780  18.044
  442   2HZ   LYS  55          2HZ       LYS  55 -14.452   8.937  18.079
  443   3HZ   LYS  55          3HZ       LYS  55 -15.865   8.202  18.669
  444    H    ASN  56           H        ASN  56 -10.272  11.391  13.396
  445    HA   ASN  56           HA       ASN  56  -8.275  11.046  15.554
  446   1HB   ASN  56          1HB       ASN  56  -8.285  13.506  15.931
  447   2HB   ASN  56          2HB       ASN  56  -9.603  13.662  14.772
  448   1HD2  ASN  56          1HD2      ASN  56 -11.624  13.739  15.757
  449   2HD2  ASN  56          2HD2      ASN  56 -12.023  12.998  17.232
  450    H    MET  57           H        MET  57  -8.690  10.760  12.454
  451    HA   MET  57           HA       MET  57  -6.937  12.680  11.200
  452   1HB   MET  57          1HB       MET  57  -4.935  11.212  11.075
  453   2HB   MET  57          2HB       MET  57  -5.344  11.576  12.751
  454   1HG   MET  57          1HG       MET  57  -6.851   9.316  12.233
  455   2HG   MET  57          2HG       MET  57  -5.363   9.005  11.341
  456   1HE   MET  57          1HE       MET  57  -2.665   9.743  14.092
  457   2HE   MET  57          2HE       MET  57  -3.532  11.052  13.290
  458   3HE   MET  57          3HE       MET  57  -3.022   9.638  12.368
  459    H    SER  58           H        SER  58  -5.727  10.976   9.299
  460    HA   SER  58           HA       SER  58  -7.976   9.375   8.157
  461   1HB   SER  58          1HB       SER  58  -6.526  11.764   7.003
  462   2HB   SER  58          2HB       SER  58  -7.286  10.579   5.942
  463    HG   SER  58           HG       SER  58  -9.237  10.940   7.112
  464    H    ALA  59           H        ALA  59  -7.104   7.383   7.753
  465    HA   ALA  59           HA       ALA  59  -4.199   7.218   7.047
  466   1HB   ALA  59          1HB       ALA  59  -4.948   4.691   7.688
  467   2HB   ALA  59          2HB       ALA  59  -6.172   5.593   8.583
  468   3HB   ALA  59          3HB       ALA  59  -4.460   5.871   8.904
  469    H    MET  60           H        MET  60  -3.585   5.790   5.314
  470    HA   MET  60           HA       MET  60  -5.639   5.536   3.189
  471   1HB   MET  60          1HB       MET  60  -3.070   6.383   3.207
  472   2HB   MET  60          2HB       MET  60  -2.796   4.676   2.866
  473   1HG   MET  60          1HG       MET  60  -3.689   4.823   0.779
  474   2HG   MET  60          2HG       MET  60  -4.976   5.908   1.304
  475   1HE   MET  60          1HE       MET  60  -2.006   6.709  -1.447
  476   2HE   MET  60          2HE       MET  60  -3.696   7.191  -1.596
  477   3HE   MET  60          3HE       MET  60  -3.288   5.550  -1.095
  478    H    ALA  61           H        ALA  61  -5.244   3.403   1.808
  479    HA   ALA  61           HA       ALA  61  -5.675   1.126   3.627
  480   1HB   ALA  61          1HB       ALA  61  -5.436   0.676   0.714
  481   2HB   ALA  61          2HB       ALA  61  -6.597   1.931   1.146
  482   3HB   ALA  61          3HB       ALA  61  -6.781   0.299   1.792
  483    H    LEU  62           H        LEU  62  -4.469  -0.762   1.615
  484    HA   LEU  62           HA       LEU  62  -1.916  -1.138   2.815
  485   1HB   LEU  62          1HB       LEU  62  -1.005  -0.421   0.234
  486   2HB   LEU  62          2HB       LEU  62  -2.083   0.882   0.736
  487    HG   LEU  62           HG       LEU  62  -0.782   0.695   3.015
  488   1HD1  LEU  62          1HD1      LEU  62   0.479  -1.328   1.650
  489   2HD1  LEU  62          2HD1      LEU  62   1.151  -0.489   3.048
  490   3HD1  LEU  62          3HD1      LEU  62   1.594   0.019   1.418
  491   1HD2  LEU  62          1HD2      LEU  62  -0.773   2.591   1.315
  492   2HD2  LEU  62          2HD2      LEU  62   0.671   1.849   0.624
  493   3HD2  LEU  62          3HD2      LEU  62   0.691   2.440   2.286
  494    H    GLY  63           H        GLY  63  -3.314  -3.178   2.572
  495   1HA   GLY  63          1HA       GLY  63  -2.225  -4.795   0.408
  496   2HA   GLY  63          2HA       GLY  63  -3.372  -5.345   1.630
  497    H    PHE  64           H        PHE  64  -5.391  -5.764   0.891
  498    HA   PHE  64           HA       PHE  64  -6.153  -4.873  -1.831
  499   1HB   PHE  64          1HB       PHE  64  -7.340  -6.754   0.242
  500   2HB   PHE  64          2HB       PHE  64  -8.045  -6.492  -1.353
  501    HD1  PHE  64           HD1      PHE  64  -5.993  -6.465  -3.256
  502    HD2  PHE  64           HD2      PHE  64  -6.137  -8.738   0.386
  503    HE1  PHE  64           HE1      PHE  64  -4.414  -8.115  -4.223
  504    HE2  PHE  64           HE2      PHE  64  -4.558 -10.388  -0.581
  505    HZ   PHE  64           HZ       PHE  64  -3.697 -10.077  -2.886
  506    H    GLY  65           H        GLY  65  -6.070  -2.880   0.374
  507   1HA   GLY  65          1HA       GLY  65  -8.908  -2.374   0.995
  508   2HA   GLY  65          2HA       GLY  65  -7.541  -1.469   1.621
  509    H    ALA  66           H        ALA  66  -6.495  -1.323  -1.267
  510    HA   ALA  66           HA       ALA  66  -7.932   1.181  -1.894
  511   1HB   ALA  66          1HB       ALA  66  -5.521   1.205  -1.859
  512   2HB   ALA  66          2HB       ALA  66  -5.997   1.330  -3.553
  513   3HB   ALA  66          3HB       ALA  66  -5.434  -0.212  -2.907
  514    H    ILE  67           H        ILE  67  -7.842  -2.091  -3.076
  515    HA   ILE  67           HA       ILE  67  -8.904  -1.269  -5.728
  516    HB   ILE  67           HB       ILE  67  -8.820  -3.853  -6.057
  517   1HG1  ILE  67          1HG1      ILE  67  -7.343  -5.089  -4.620
  518   2HG1  ILE  67          2HG1      ILE  67  -6.958  -3.654  -3.678
  519   1HG2  ILE  67          1HG2      ILE  67  -7.231  -2.564  -7.208
  520   2HG2  ILE  67          2HG2      ILE  67  -6.234  -3.658  -6.249
  521   3HG2  ILE  67          3HG2      ILE  67  -6.478  -1.994  -5.719
  522   1HD1  ILE  67          1HD1      ILE  67  -9.076  -3.611  -2.658
  523   2HD1  ILE  67          2HD1      ILE  67  -8.726  -5.337  -2.748
  524   3HD1  ILE  67          3HD1      ILE  67  -9.806  -4.594  -3.928
  525    H    PHE  68           H        PHE  68 -10.223  -1.928  -2.710
  526    HA   PHE  68           HA       PHE  68 -12.437  -3.601  -3.236
  527   1HB   PHE  68          1HB       PHE  68 -11.812  -1.316  -1.390
  528   2HB   PHE  68          2HB       PHE  68 -13.467  -1.920  -1.440
  529    HD1  PHE  68           HD1      PHE  68 -10.777  -2.157   0.533
  530    HD2  PHE  68           HD2      PHE  68 -13.211  -4.766  -1.857
  531    HE1  PHE  68           HE1      PHE  68 -10.123  -4.076   1.962
  532    HE2  PHE  68           HE2      PHE  68 -12.558  -6.685  -0.428
  533    HZ   PHE  68           HZ       PHE  68 -11.014  -6.340   1.482
  534    H    ASN  69           H        ASN  69 -14.555  -3.177  -3.989
  535    HA   ASN  69           HA       ASN  69 -14.905  -0.587  -5.469
  536   1HB   ASN  69          1HB       ASN  69 -16.037  -3.362  -6.003
  537   2HB   ASN  69          2HB       ASN  69 -16.254  -1.947  -7.032
  538   1HD2  ASN  69          1HD2      ASN  69 -15.079  -4.117  -8.254
  539   2HD2  ASN  69          2HD2      ASN  69 -13.413  -3.854  -8.467
  540    H    HIS  70           H        HIS  70 -17.609  -0.760  -5.988
  541    HA   HIS  70           HA       HIS  70 -18.779  -0.657  -3.236
  542   1HB   HIS  70          1HB       HIS  70 -18.814   1.411  -4.596
  543   2HB   HIS  70          2HB       HIS  70 -19.652   0.553  -5.890
  544    HD1  HIS  70           HD1      HIS  70 -20.150   1.685  -2.306
  545    HD2  HIS  70           HD2      HIS  70 -22.418   0.286  -5.513
  546    HE1  HIS  70           HE1      HIS  70 -22.577   1.943  -1.633
  547    H    SER  71           H        SER  71 -20.819  -1.706  -2.870
  548    HA   SER  71           HA       SER  71 -22.072  -3.277  -5.014
  549   1HB   SER  71          1HB       SER  71 -20.488  -4.521  -2.738
  550   2HB   SER  71          2HB       SER  71 -21.591  -5.434  -3.766
  551    HG   SER  71           HG       SER  71 -19.946  -5.605  -5.037
  552    H    LYS  72           H        LYS  72 -24.153  -4.046  -4.369
  553    HA   LYS  72           HA       LYS  72 -25.329  -2.625  -2.097
  554   1HB   LYS  72          1HB       LYS  72 -26.172  -3.357  -4.554
  555   2HB   LYS  72          2HB       LYS  72 -26.790  -4.729  -3.633
  556   1HG   LYS  72          1HG       LYS  72 -28.569  -3.359  -3.240
  557   2HG   LYS  72          2HG       LYS  72 -27.516  -2.647  -2.018
  558   1HD   LYS  72          1HD       LYS  72 -26.695  -1.351  -4.302
  559   2HD   LYS  72          2HD       LYS  72 -28.424  -1.539  -4.592
  560   1HE   LYS  72          1HE       LYS  72 -28.754   0.241  -3.224
  561   2HE   LYS  72          2HE       LYS  72 -28.173  -0.759  -1.879
  562   1HZ   LYS  72          1HZ       LYS  72 -25.911  -0.170  -2.443
  563   2HZ   LYS  72          2HZ       LYS  72 -26.810   1.251  -2.200
  564   3HZ   LYS  72          3HZ       LYS  72 -26.437   0.741  -3.777
  565    H    ASP  73           H        ASP  73 -23.859  -5.703  -2.497
  566    HA   ASP  73           HA       ASP  73 -25.085  -6.600   0.084
  567   1HB   ASP  73          1HB       ASP  73 -24.743  -8.024  -2.561
  568   2HB   ASP  73          2HB       ASP  73 -24.895  -8.936  -1.060
  569    HA   PRO  74           HA       PRO  74 -20.374  -6.647  -0.029
  570   1HB   PRO  74          1HB       PRO  74 -20.773  -5.522   2.691
  571   2HB   PRO  74          2HB       PRO  74 -19.698  -4.967   1.396
  572   1HG   PRO  74          1HG       PRO  74 -21.932  -3.642   2.090
  573   2HG   PRO  74          2HG       PRO  74 -21.317  -3.672   0.432
  574   1HD   PRO  74          1HD       PRO  74 -23.625  -5.124   1.623
  575   2HD   PRO  74          2HD       PRO  74 -23.414  -4.481  -0.019
  576    H    ASN  75           H        ASN  75 -20.081  -8.853   0.268
  577    HA   ASN  75           HA       ASN  75 -21.264 -10.276   2.540
  578   1HB   ASN  75          1HB       ASN  75 -20.075 -12.186   1.464
  579   2HB   ASN  75          2HB       ASN  75 -21.015 -11.263   0.293
  580   1HD2  ASN  75          1HD2      ASN  75 -19.193 -12.510  -1.083
  581   2HD2  ASN  75          2HD2      ASN  75 -17.791 -11.602  -1.387
  582    H    ALA  76           H        ALA  76 -18.475  -8.370   2.169
  583    HA   ALA  76           HA       ALA  76 -17.324  -9.541   4.650
  584   1HB   ALA  76          1HB       ALA  76 -15.707  -8.957   2.148
  585   2HB   ALA  76          2HB       ALA  76 -16.326 -10.561   2.537
  586   3HB   ALA  76          3HB       ALA  76 -15.156  -9.785   3.604
  587    H    ARG  77           H        ARG  77 -16.076  -8.012   5.843
  588    HA   ARG  77           HA       ARG  77 -16.134  -5.205   4.779
  589   1HB   ARG  77          1HB       ARG  77 -17.604  -6.275   6.860
  590   2HB   ARG  77          2HB       ARG  77 -16.209  -5.604   7.704
  591   1HG   ARG  77          1HG       ARG  77 -16.590  -3.456   6.411
  592   2HG   ARG  77          2HG       ARG  77 -18.111  -4.149   5.849
  593   1HD   ARG  77          1HD       ARG  77 -19.131  -3.769   7.851
  594   2HD   ARG  77          2HD       ARG  77 -17.733  -4.367   8.765
  595    HE   ARG  77           HE       ARG  77 -16.928  -2.142   8.866
  596   1HH1  ARG  77          1HH1      ARG  77 -19.333  -2.477   6.371
  597   2HH1  ARG  77          2HH1      ARG  77 -19.369  -0.783   6.026
  598   1HH2  ARG  77          1HH2      ARG  77 -16.994   0.053   8.400
  599   2HH2  ARG  77          2HH2      ARG  77 -18.057   0.640   7.165
  600    H    HIS  78           H        HIS  78 -14.691  -4.089   6.959
  601    HA   HIS  78           HA       HIS  78 -12.086  -5.564   6.849
  602   1HB   HIS  78          1HB       HIS  78 -11.041  -3.307   6.504
  603   2HB   HIS  78          2HB       HIS  78 -12.109  -3.775   5.183
  604    HD1  HIS  78           HD1      HIS  78 -13.319  -1.727   4.448
  605    HD2  HIS  78           HD2      HIS  78 -13.032  -1.924   8.602
  606    HE1  HIS  78           HE1      HIS  78 -14.608   0.257   5.349
  607    H    GLU  79           H        GLU  79 -10.541  -4.728   8.561
  608    HA   GLU  79           HA       GLU  79 -11.904  -3.515  10.921
  609   1HB   GLU  79          1HB       GLU  79 -12.146  -5.956  11.088
  610   2HB   GLU  79          2HB       GLU  79 -10.417  -6.167  10.812
  611   1HG   GLU  79          1HG       GLU  79 -10.793  -6.330  13.191
  612   2HG   GLU  79          2HG       GLU  79 -10.009  -4.780  12.885
  613    H    LEU  80           H        LEU  80 -10.490  -2.266  12.162
  614    HA   LEU  80           HA       LEU  80  -7.678  -2.070  11.163
  615   1HB   LEU  80          1HB       LEU  80  -9.498  -0.212  12.738
  616   2HB   LEU  80          2HB       LEU  80  -7.833   0.175  12.305
  617    HG   LEU  80           HG       LEU  80 -10.037  -0.492  10.328
  618   1HD1  LEU  80          1HD1      LEU  80  -9.034   2.120   9.950
  619   2HD1  LEU  80          2HD1      LEU  80  -9.323   1.962  11.682
  620   3HD1  LEU  80          3HD1      LEU  80 -10.634   1.670  10.539
  621   1HD2  LEU  80          1HD2      LEU  80  -8.168   0.621   8.820
  622   2HD2  LEU  80          2HD2      LEU  80  -8.079  -1.093   9.226
  623   3HD2  LEU  80          3HD2      LEU  80  -7.100   0.075  10.113
  624    H    THR  81           H        THR  81  -5.946  -2.220  12.649
  625    HA   THR  81           HA       THR  81  -6.303  -3.876  14.960
  626    HB   THR  81           HB       THR  81  -3.871  -2.915  15.340
  627    HG1  THR  81           HG1      THR  81  -3.089  -1.781  13.657
  628   1HG2  THR  81          1HG2      THR  81  -4.244  -4.231  12.670
  629   2HG2  THR  81          2HG2      THR  81  -4.755  -5.088  14.124
  630   3HG2  THR  81          3HG2      THR  81  -3.072  -4.593  13.937
  631    H    ALA  82           H        ALA  82  -5.177  -0.464  14.878
  632    HA   ALA  82           HA       ALA  82  -6.989   0.346  17.004
  633   1HB   ALA  82          1HB       ALA  82  -5.567   0.171  18.835
  634   2HB   ALA  82          2HB       ALA  82  -4.114   0.336  17.848
  635   3HB   ALA  82          3HB       ALA  82  -4.983  -1.198  17.888
  636    H    GLY  83           H        GLY  83  -3.828   0.994  15.457
  637   1HA   GLY  83          1HA       GLY  83  -4.552   3.897  15.469
  638   2HA   GLY  83          2HA       GLY  83  -2.891   3.310  15.533
  639    H    LEU  84           H        LEU  84  -5.531   2.135  13.453
  640    HA   LEU  84           HA       LEU  84  -5.617   1.941  11.098
  641   1HB   LEU  84          1HB       LEU  84  -4.147   4.580  11.468
  642   2HB   LEU  84          2HB       LEU  84  -4.947   4.073   9.981
  643    HG   LEU  84           HG       LEU  84  -6.442   4.177  12.601
  644   1HD1  LEU  84          1HD1      LEU  84  -5.282   6.405  11.297
  645   2HD1  LEU  84          2HD1      LEU  84  -6.494   6.429  12.577
  646   3HD1  LEU  84          3HD1      LEU  84  -6.997   6.433  10.886
  647   1HD2  LEU  84          1HD2      LEU  84  -8.341   3.979  11.281
  648   2HD2  LEU  84          2HD2      LEU  84  -7.188   3.062  10.311
  649   3HD2  LEU  84          3HD2      LEU  84  -7.572   4.729   9.881
  650    H    LYS  85           H        LYS  85  -3.531   0.424  12.169
  651    HA   LYS  85           HA       LYS  85  -1.199   1.009  10.383
  652   1HB   LYS  85          1HB       LYS  85  -1.538  -0.571  12.956
  653   2HB   LYS  85          2HB       LYS  85  -0.029  -0.503  12.046
  654   1HG   LYS  85          1HG       LYS  85   0.082   1.914  12.324
  655   2HG   LYS  85          2HG       LYS  85  -1.498   1.930  13.105
  656   1HD   LYS  85          1HD       LYS  85  -0.676   0.771  15.018
  657   2HD   LYS  85          2HD       LYS  85   0.819   0.328  14.196
  658   1HE   LYS  85          1HE       LYS  85   1.803   2.299  14.763
  659   2HE   LYS  85          2HE       LYS  85   0.390   3.229  14.229
  660   1HZ   LYS  85          1HZ       LYS  85  -0.733   2.288  16.291
  661   2HZ   LYS  85          2HZ       LYS  85   0.439   3.489  16.551
  662   3HZ   LYS  85          3HZ       LYS  85   0.821   1.857  16.823
  663    H    ARG  86           H        ARG  86  -2.290  -2.034  11.897
  664    HA   ARG  86           HA       ARG  86  -1.853  -3.439   9.338
  665   1HB   ARG  86          1HB       ARG  86  -2.204  -4.059  12.228
  666   2HB   ARG  86          2HB       ARG  86  -2.760  -5.300  11.104
  667   1HG   ARG  86          1HG       ARG  86  -0.600  -5.967  11.014
  668   2HG   ARG  86          2HG       ARG  86  -0.327  -4.532  10.026
  669   1HD   ARG  86          1HD       ARG  86   1.219  -4.086  11.689
  670   2HD   ARG  86          2HD       ARG  86  -0.208  -3.415  12.500
  671    HE   ARG  86           HE       ARG  86  -0.158  -5.270  13.966
  672   1HH1  ARG  86          1HH1      ARG  86   1.659  -5.938  11.073
  673   2HH1  ARG  86          2HH1      ARG  86   2.228  -7.465  11.651
  674   1HH2  ARG  86          1HH2      ARG  86   0.594  -7.257  14.694
  675   2HH2  ARG  86          2HH2      ARG  86   1.631  -8.208  13.685
  676    H    MET  87           H        MET  87  -3.496  -3.850   7.925
  677    HA   MET  87           HA       MET  87  -6.302  -3.355   8.806
  678   1HB   MET  87          1HB       MET  87  -4.723  -2.687   6.574
  679   2HB   MET  87          2HB       MET  87  -5.841  -3.915   5.981
  680   1HG   MET  87          1HG       MET  87  -6.765  -1.555   7.631
  681   2HG   MET  87          2HG       MET  87  -6.664  -1.492   5.871
  682   1HE   MET  87          1HE       MET  87  -8.795  -0.628   6.552
  683   2HE   MET  87          2HE       MET  87 -10.182  -1.512   7.187
  684   3HE   MET  87          3HE       MET  87  -9.867  -1.494   5.451
  685    H    ARG  88           H        ARG  88  -7.441  -5.171   9.377
  686    HA   ARG  88           HA       ARG  88  -6.743  -7.761   8.037
  687   1HB   ARG  88          1HB       ARG  88  -8.195  -7.211  10.652
  688   2HB   ARG  88          2HB       ARG  88  -7.647  -8.784  10.074
  689   1HG   ARG  88          1HG       ARG  88  -5.309  -8.003  10.148
  690   2HG   ARG  88          2HG       ARG  88  -5.851  -6.425  10.719
  691   1HD   ARG  88          1HD       ARG  88  -5.461  -7.378  12.785
  692   2HD   ARG  88          2HD       ARG  88  -7.083  -8.050  12.532
  693    HE   ARG  88           HE       ARG  88  -4.962  -9.629  11.280
  694   1HH1  ARG  88          1HH1      ARG  88  -6.780  -9.036  14.189
  695   2HH1  ARG  88          2HH1      ARG  88  -6.503 -10.624  14.816
  696   1HH2  ARG  88          1HH2      ARG  88  -4.617 -11.684  12.115
  697   2HH2  ARG  88          2HH2      ARG  88  -5.288 -12.113  13.653
  698    H    ILE  89           H        ILE  89  -8.194  -8.192   6.415
  699    HA   ILE  89           HA       ILE  89 -10.932  -7.085   6.531
  700    HB   ILE  89           HB       ILE  89  -9.423  -8.772   4.499
  701   1HG1  ILE  89          1HG1      ILE  89 -10.141  -5.872   4.181
  702   2HG1  ILE  89          2HG1      ILE  89  -8.722  -6.311   5.132
  703   1HG2  ILE  89          1HG2      ILE  89 -11.375  -8.977   3.400
  704   2HG2  ILE  89          2HG2      ILE  89 -11.542  -7.221   3.367
  705   3HG2  ILE  89          3HG2      ILE  89 -12.203  -8.145   4.716
  706   1HD1  ILE  89          1HD1      ILE  89  -9.196  -7.385   2.343
  707   2HD1  ILE  89          2HD1      ILE  89  -7.698  -7.412   3.275
  708   3HD1  ILE  89          3HD1      ILE  89  -8.315  -5.886   2.640
  709    H    PHE  90           H        PHE  90 -12.759  -8.327   6.928
  710    HA   PHE  90           HA       PHE  90 -12.354 -11.273   7.329
  711   1HB   PHE  90          1HB       PHE  90 -13.520  -9.104   9.041
  712   2HB   PHE  90          2HB       PHE  90 -14.253 -10.705   9.136
  713    HD1  PHE  90           HD1      PHE  90 -12.867 -12.681   9.784
  714    HD2  PHE  90           HD2      PHE  90 -11.340  -8.670   9.942
  715    HE1  PHE  90           HE1      PHE  90 -11.008 -13.446  11.237
  716    HE2  PHE  90           HE2      PHE  90  -9.481  -9.435  11.395
  717    HZ   PHE  90           HZ       PHE  90  -9.315 -11.823  12.042
  718    H    THR  91           H        THR  91 -14.701 -12.309   7.514
  719    HA   THR  91           HA       THR  91 -16.345 -11.182   5.271
  720    HB   THR  91           HB       THR  91 -17.041 -13.730   5.242
  721    HG1  THR  91           HG1      THR  91 -15.801 -15.018   6.357
  722   1HG2  THR  91          1HG2      THR  91 -14.215 -13.037   4.419
  723   2HG2  THR  91          2HG2      THR  91 -15.626 -12.417   3.563
  724   3HG2  THR  91          3HG2      THR  91 -15.329 -14.154   3.632
  725    H    ILE  92           H        ILE  92 -17.823  -9.978   6.554
  726    HA   ILE  92           HA       ILE  92 -19.002 -10.649   8.999
  727    HB   ILE  92           HB       ILE  92 -20.866  -9.194   8.163
  728   1HG1  ILE  92          1HG1      ILE  92 -19.386  -9.466   5.527
  729   2HG1  ILE  92          2HG1      ILE  92 -20.990 -10.107   5.881
  730   1HG2  ILE  92          1HG2      ILE  92 -18.581  -8.317   8.898
  731   2HG2  ILE  92          2HG2      ILE  92 -19.522  -7.237   7.869
  732   3HG2  ILE  92          3HG2      ILE  92 -18.191  -8.171   7.185
  733   1HD1  ILE  92          1HD1      ILE  92 -21.675  -8.128   4.970
  734   2HD1  ILE  92          2HD1      ILE  92 -20.147  -7.319   5.321
  735   3HD1  ILE  92          3HD1      ILE  92 -21.352  -7.517   6.593
  736    H    LYS  93           H        LYS  93 -19.881 -11.808   5.753
  737    HA   LYS  93           HA       LYS  93 -21.687 -13.802   7.076
  738   1HB   LYS  93          1HB       LYS  93 -23.140 -13.508   5.033
  739   2HB   LYS  93          2HB       LYS  93 -23.017 -12.053   6.020
  740   1HG   LYS  93          1HG       LYS  93 -22.125 -10.906   4.301
  741   2HG   LYS  93          2HG       LYS  93 -20.860 -12.117   4.099
  742   1HD   LYS  93          1HD       LYS  93 -21.886 -12.515   2.100
  743   2HD   LYS  93          2HD       LYS  93 -23.030 -13.437   3.075
  744   1HE   LYS  93          1HE       LYS  93 -24.619 -11.692   3.078
  745   2HE   LYS  93          2HE       LYS  93 -23.407 -10.467   2.661
  746   1HZ   LYS  93          1HZ       LYS  93 -23.144 -11.419   0.510
  747   2HZ   LYS  93          2HZ       LYS  93 -24.814 -11.229   0.751
  748   3HZ   LYS  93          3HZ       LYS  93 -24.103 -12.763   0.906
  749    HA   PRO  94           HA       PRO  94 -19.403 -16.972   5.099
  750   1HB   PRO  94          1HB       PRO  94 -22.043 -18.022   4.149
  751   2HB   PRO  94          2HB       PRO  94 -20.758 -18.857   5.042
  752   1HG   PRO  94          1HG       PRO  94 -23.009 -18.052   6.239
  753   2HG   PRO  94          2HG       PRO  94 -21.447 -18.024   7.068
  754   1HD   PRO  94          1HD       PRO  94 -23.056 -15.777   5.992
  755   2HD   PRO  94          2HD       PRO  94 -21.926 -15.810   7.361
  756    H    ILE  95           H        ILE  95 -18.400 -16.964   3.133
  757    HA   ILE  95           HA       ILE  95 -19.883 -15.816   0.793
  758    HB   ILE  95           HB       ILE  95 -17.029 -15.745   1.783
  759   1HG1  ILE  95          1HG1      ILE  95 -18.891 -13.574   0.797
  760   2HG1  ILE  95          2HG1      ILE  95 -18.701 -14.026   2.491
  761   1HG2  ILE  95          1HG2      ILE  95 -17.920 -15.750  -1.010
  762   2HG2  ILE  95          2HG2      ILE  95 -16.289 -15.896  -0.347
  763   3HG2  ILE  95          3HG2      ILE  95 -17.007 -14.302  -0.579
  764   1HD1  ILE  95          1HD1      ILE  95 -16.782 -12.629   0.670
  765   2HD1  ILE  95          2HD1      ILE  95 -16.123 -13.680   1.925
  766   3HD1  ILE  95          3HD1      ILE  95 -17.149 -12.314   2.366
  767    H    ALA  96           H        ALA  96 -19.786 -16.958  -1.174
  768    HA   ALA  96           HA       ALA  96 -18.936 -19.798  -0.962
  769   1HB   ALA  96          1HB       ALA  96 -20.671 -18.159  -2.834
  770   2HB   ALA  96          2HB       ALA  96 -21.196 -19.388  -1.682
  771   3HB   ALA  96          3HB       ALA  96 -20.308 -19.860  -3.131
  772    H    ILE  97           H        ILE  97 -17.929 -20.756  -2.977
  773    HA   ILE  97           HA       ILE  97 -15.524 -19.378  -3.721
  774    HB   ILE  97           HB       ILE  97 -17.015 -21.755  -4.885
  775   1HG1  ILE  97          1HG1      ILE  97 -14.535 -21.884  -3.200
  776   2HG1  ILE  97          2HG1      ILE  97 -16.097 -21.647  -2.417
  777   1HG2  ILE  97          1HG2      ILE  97 -15.450 -21.848  -6.499
  778   2HG2  ILE  97          2HG2      ILE  97 -14.182 -21.884  -5.274
  779   3HG2  ILE  97          3HG2      ILE  97 -14.754 -20.340  -5.905
  780   1HD1  ILE  97          1HD1      ILE  97 -16.698 -23.665  -4.152
  781   2HD1  ILE  97          2HD1      ILE  97 -16.197 -23.925  -2.481
  782   3HD1  ILE  97          3HD1      ILE  97 -15.014 -24.037  -3.784
  783    H    GLY  98           H        GLY  98 -15.682 -17.496  -4.910
  784   1HA   GLY  98          1HA       GLY  98 -15.798 -16.680  -7.248
  785   2HA   GLY  98          2HA       GLY  98 -17.265 -17.639  -7.443
  786    H    GLU  99           H        GLU  99 -16.474 -15.630  -4.634
  787    HA   GLU  99           HA       GLU  99 -18.975 -14.081  -5.151
  788   1HB   GLU  99          1HB       GLU  99 -17.394 -15.030  -2.830
  789   2HB   GLU  99          2HB       GLU  99 -18.072 -13.412  -2.642
  790   1HG   GLU  99          1HG       GLU  99 -19.622 -15.907  -3.401
  791   2HG   GLU  99          2HG       GLU  99 -19.646 -15.126  -1.822
  792    H    GLU 100           H        GLU 100 -18.899 -11.722  -4.906
  793    HA   GLU 100           HA       GLU 100 -16.263 -10.599  -5.733
  794   1HB   GLU 100          1HB       GLU 100 -18.861 -10.326  -6.658
  795   2HB   GLU 100          2HB       GLU 100 -18.648  -8.866  -5.693
  796   1HG   GLU 100          1HG       GLU 100 -16.613  -9.769  -7.745
  797   2HG   GLU 100          2HG       GLU 100 -17.949  -8.692  -8.148
  798    H    ILE 101           H        ILE 101 -15.084  -9.934  -3.971
  799    HA   ILE 101           HA       ILE 101 -16.440  -8.848  -1.575
  800    HB   ILE 101           HB       ILE 101 -13.495  -9.227  -2.242
  801   1HG1  ILE 101          1HG1      ILE 101 -15.326 -11.091  -0.706
  802   2HG1  ILE 101          2HG1      ILE 101 -14.899 -11.324  -2.402
  803   1HG2  ILE 101          1HG2      ILE 101 -14.647  -7.858  -0.148
  804   2HG2  ILE 101          2HG2      ILE 101 -13.048  -8.600  -0.105
  805   3HG2  ILE 101          3HG2      ILE 101 -14.441  -9.471   0.536
  806   1HD1  ILE 101          1HD1      ILE 101 -12.641 -10.859  -0.520
  807   2HD1  ILE 101          2HD1      ILE 101 -12.741 -11.938  -1.912
  808   3HD1  ILE 101          3HD1      ILE 101 -13.474 -12.408  -0.378
  809    H    THR 102           H        THR 102 -16.897  -6.696  -1.516
  810    HA   THR 102           HA       THR 102 -14.966  -4.779  -2.765
  811    HB   THR 102           HB       THR 102 -16.838  -3.671  -3.863
  812    HG1  THR 102           HG1      THR 102 -18.448  -3.915  -2.401
  813   1HG2  THR 102          1HG2      THR 102 -15.944  -5.585  -5.093
  814   2HG2  THR 102          2HG2      THR 102 -17.691  -5.497  -5.325
  815   3HG2  THR 102          3HG2      THR 102 -17.010  -6.678  -4.209
  816    H    ILE 103           H        ILE 103 -16.574  -5.620   0.026
  817    HA   ILE 103           HA       ILE 103 -17.449  -4.463   1.893
  818    HB   ILE 103           HB       ILE 103 -15.684  -3.058   2.808
  819   1HG1  ILE 103          1HG1      ILE 103 -14.432  -3.061   0.052
  820   2HG1  ILE 103          2HG1      ILE 103 -15.358  -1.707   0.702
  821   1HG2  ILE 103          1HG2      ILE 103 -15.360  -5.592   2.381
  822   2HG2  ILE 103          2HG2      ILE 103 -13.930  -4.634   2.763
  823   3HG2  ILE 103          3HG2      ILE 103 -14.264  -5.091   1.093
  824   1HD1  ILE 103          1HD1      ILE 103 -13.805  -1.471   2.542
  825   2HD1  ILE 103          2HD1      ILE 103 -12.876  -1.509   1.043
  826   3HD1  ILE 103          3HD1      ILE 103 -12.961  -2.944   2.065
  827    H    SER 104           H        SER 104 -16.813  -1.530   2.325
  828    HA   SER 104           HA       SER 104 -18.289  -0.142   0.197
  829   1HB   SER 104          1HB       SER 104 -19.999  -1.382   1.570
  830   2HB   SER 104          2HB       SER 104 -19.469  -0.467   2.981
  831    HG   SER 104           HG       SER 104 -21.238   0.545   2.027
  832    H    TYR 105           H        TYR 105 -19.038   2.136   1.483
  833    HA   TYR 105           HA       TYR 105 -16.523   3.075   2.828
  834   1HB   TYR 105          1HB       TYR 105 -18.342   4.740   1.059
  835   2HB   TYR 105          2HB       TYR 105 -16.689   5.096   1.545
  836    HD1  TYR 105           HD1      TYR 105 -18.478   4.322  -1.218
  837    HD2  TYR 105           HD2      TYR 105 -15.139   2.770   0.994
  838    HE1  TYR 105           HE1      TYR 105 -17.650   3.195  -3.264
  839    HE2  TYR 105           HE2      TYR 105 -14.310   1.642  -1.055
  840    HH   TYR 105           HH       TYR 105 -14.515   1.829  -3.468
  841    H    GLY 106           H        GLY 106 -19.815   4.386   2.233
  842   1HA   GLY 106          1HA       GLY 106 -21.476   4.915   3.853
  843   2HA   GLY 106          2HA       GLY 106 -20.368   4.393   5.122
  844    H    ASP 107           H        ASP 107 -21.006   6.415   6.224
  845    HA   ASP 107           HA       ASP 107 -20.605   8.647   6.859
  846   1HB   ASP 107          1HB       ASP 107 -18.326   7.795   6.919
  847   2HB   ASP 107          2HB       ASP 107 -18.161   7.989   5.175
  848    H    ASP 108           H        ASP 108 -18.917   9.100   3.779
  849    HA   ASP 108           HA       ASP 108 -21.282  10.378   2.552
  850   1HB   ASP 108          1HB       ASP 108 -19.742  11.850   4.244
  851   2HB   ASP 108          2HB       ASP 108 -18.862  12.103   2.736
  852    H    TYR 109           H        TYR 109 -19.182   8.201   1.993
  853    HA   TYR 109           HA       TYR 109 -17.918   9.316  -0.464
  854   1HB   TYR 109          1HB       TYR 109 -17.112   7.603   1.597
  855   2HB   TYR 109          2HB       TYR 109 -17.416   6.514   0.242
  856    HD1  TYR 109           HD1      TYR 109 -15.954   9.948   0.716
  857    HD2  TYR 109           HD2      TYR 109 -15.556   6.063  -1.074
  858    HE1  TYR 109           HE1      TYR 109 -13.815  10.646  -0.324
  859    HE2  TYR 109           HE2      TYR 109 -13.417   6.762  -2.114
  860    HH   TYR 109           HH       TYR 109 -11.572   8.869  -1.284
  861    H    TRP 110           H        TRP 110 -19.331   9.195  -2.170
  862    HA   TRP 110           HA       TRP 110 -20.786   8.280  -3.769
  863   1HB   TRP 110          1HB       TRP 110 -19.041   6.676  -4.096
  864   2HB   TRP 110          2HB       TRP 110 -19.402   5.854  -2.585
  865    HD1  TRP 110           HD1      TRP 110 -21.388   4.157  -2.528
  866    HE1  TRP 110           HE1      TRP 110 -22.791   3.034  -4.385
  867    HE3  TRP 110           HE3      TRP 110 -20.080   7.068  -6.514
  868    HZ2  TRP 110           HZ2      TRP 110 -23.287   3.331  -7.183
  869    HZ3  TRP 110           HZ3      TRP 110 -21.030   6.627  -8.760
  870    HH2  TRP 110           HH2      TRP 110 -22.631   4.764  -9.100
  871    H    LEU 111           H        LEU 111 -21.108   5.666  -1.368
  872    HA   LEU 111           HA       LEU 111 -23.957   5.578  -1.537
  873   1HB   LEU 111          1HB       LEU 111 -22.327   3.805  -0.752
  874   2HB   LEU 111          2HB       LEU 111 -22.149   4.716   0.747
  875    HG   LEU 111           HG       LEU 111 -24.885   3.935  -0.240
  876   1HD1  LEU 111          1HD1      LEU 111 -22.775   2.197   0.952
  877   2HD1  LEU 111          2HD1      LEU 111 -24.094   1.774  -0.140
  878   3HD1  LEU 111          3HD1      LEU 111 -24.414   2.015   1.578
  879   1HD2  LEU 111          1HD2      LEU 111 -25.224   5.274   1.588
  880   2HD2  LEU 111          2HD2      LEU 111 -23.615   4.963   2.241
  881   3HD2  LEU 111          3HD2      LEU 111 -24.902   3.777   2.464
  882    H    SER 112           H        SER 112 -21.870   6.885   1.076
  883    HA   SER 112           HA       SER 112 -22.349   8.457   2.766
  884   1HB   SER 112          1HB       SER 112 -22.525  10.015   0.985
  885   2HB   SER 112          2HB       SER 112 -24.023   9.300   0.393
  886    HG   SER 112           HG       SER 112 -23.586  11.040   2.522
  887    H    ARG 113           H        ARG 113 -25.660   8.630   1.534
  888    HA   ARG 113           HA       ARG 113 -26.634   7.589   4.126
  889   1HB   ARG 113          1HB       ARG 113 -27.768   9.089   1.764
  890   2HB   ARG 113          2HB       ARG 113 -28.844   8.375   2.966
  891   1HG   ARG 113          1HG       ARG 113 -26.558   9.985   3.994
  892   2HG   ARG 113          2HG       ARG 113 -27.868  10.871   3.215
  893   1HD   ARG 113          1HD       ARG 113 -29.024   8.887   4.944
  894   2HD   ARG 113          2HD       ARG 113 -27.830   9.823   5.863
  895    HE   ARG 113           HE       ARG 113 -30.319  10.856   4.760
  896   1HH1  ARG 113          1HH1      ARG 113 -27.014  11.628   5.533
  897   2HH1  ARG 113          2HH1      ARG 113 -27.335  13.318   5.711
  898   1HH2  ARG 113          1HH2      ARG 113 -30.711  13.053   4.997
  899   2HH2  ARG 113          2HH2      ARG 113 -29.412  14.121   5.411
  900    HA   PRO 114           HA       PRO 114 -27.265   3.612   2.229
  901   1HB   PRO 114          1HB       PRO 114 -29.068   2.639   4.118
  902   2HB   PRO 114          2HB       PRO 114 -27.304   2.585   4.287
  903   1HG   PRO 114          1HG       PRO 114 -29.271   4.470   5.471
  904   2HG   PRO 114          2HG       PRO 114 -27.772   3.825   6.154
  905   1HD   PRO 114          1HD       PRO 114 -27.995   6.348   5.169
  906   2HD   PRO 114          2HD       PRO 114 -26.476   5.429   5.144
  907    H    ARG 115           H        ARG 115 -30.403   4.057   3.817
  908    HA   ARG 115           HA       ARG 115 -32.573   4.064   2.880
  909   1HB   ARG 115          1HB       ARG 115 -30.875   6.151   1.788
  910   2HB   ARG 115          2HB       ARG 115 -32.100   5.683   0.610
  911   1HG   ARG 115          1HG       ARG 115 -33.481   7.060   1.767
  912   2HG   ARG 115          2HG       ARG 115 -33.541   5.765   2.962
  913   1HD   ARG 115          1HD       ARG 115 -32.714   7.323   4.415
  914   2HD   ARG 115          2HD       ARG 115 -31.168   7.086   3.579
  915    HE   ARG 115           HE       ARG 115 -31.510   9.169   2.511
  916   1HH1  ARG 115          1HH1      ARG 115 -34.512   7.914   3.752
  917   2HH1  ARG 115          2HH1      ARG 115 -35.406   9.333   3.330
  918   1HH2  ARG 115          1HH2      ARG 115 -32.693  10.999   1.973
  919   2HH2  ARG 115          2HH2      ARG 115 -34.387  11.067   2.331
  920    H    LEU 116           H        LEU 116 -31.654   1.689   2.206
  921    HA   LEU 116           HA       LEU 116 -31.350   1.324  -0.693
  922   1HB   LEU 116          1HB       LEU 116 -31.014  -0.147   1.804
  923   2HB   LEU 116          2HB       LEU 116 -31.826  -1.135   0.590
  924    HG   LEU 116           HG       LEU 116 -30.026  -0.593  -1.031
  925   1HD1  LEU 116          1HD1      LEU 116 -27.982   0.532  -0.189
  926   2HD1  LEU 116          2HD1      LEU 116 -28.788   0.816   1.354
  927   3HD1  LEU 116          3HD1      LEU 116 -29.387   1.595  -0.111
  928   1HD2  LEU 116          1HD2      LEU 116 -29.667  -2.633   0.111
  929   2HD2  LEU 116          2HD2      LEU 116 -29.308  -1.816   1.633
  930   3HD2  LEU 116          3HD2      LEU 116 -28.145  -1.764   0.309
  931    H    THR 117           H        THR 117 -33.488   2.307  -1.270
  932    HA   THR 117           HA       THR 117 -35.612   0.233  -1.265
  933    HB   THR 117           HB       THR 117 -35.854   3.048  -0.139
  934    HG1  THR 117           HG1      THR 117 -36.555   1.783   1.700
  935   1HG2  THR 117          1HG2      THR 117 -37.855   2.548  -1.428
  936   2HG2  THR 117          2HG2      THR 117 -38.239   2.402   0.288
  937   3HG2  THR 117          3HG2      THR 117 -37.978   0.954  -0.685
  938    H    GLN 118           H        GLN 118 -35.422   3.736  -2.000
  939    HA   GLN 118           HA       GLN 118 -35.913   4.900  -3.994
  940   1HB   GLN 118          1HB       GLN 118 -34.085   2.814  -4.459
  941   2HB   GLN 118          2HB       GLN 118 -35.254   2.685  -5.774
  942   1HG   GLN 118          1HG       GLN 118 -34.627   4.676  -6.698
  943   2HG   GLN 118          2HG       GLN 118 -34.379   5.438  -5.126
  944   1HE2  GLN 118          1HE2      GLN 118 -32.804   3.642  -7.705
  945   2HE2  GLN 118          2HE2      GLN 118 -31.239   3.706  -7.052
  946    H    ASN 119           H        ASN 119 -38.224   4.009  -2.957
  947    HA   ASN 119           HA       ASN 119 -39.921   3.582  -5.252
  948   1HB   ASN 119          1HB       ASN 119 -38.640   1.326  -4.556
  949   2HB   ASN 119          2HB       ASN 119 -39.970   1.227  -3.402
  950   1HD2  ASN 119          1HD2      ASN 119 -42.232   1.761  -4.545
  951   2HD2  ASN 119          2HD2      ASN 119 -42.471   1.009  -6.048
  952   1H    GLY 201          1H        GLY 201 -18.962  33.237 -19.797
  953   2H    GLY 201          2H        GLY 201 -18.341  33.344 -18.220
  954   3H    GLY 201          3H        GLY 201 -19.913  33.895 -18.554
  955   1HA   GLY 201          1HA       GLY 201 -20.235  31.428 -19.355
  956   2HA   GLY 201          2HA       GLY 201 -18.926  31.165 -18.203
  957    H    LYS 202           H        LYS 202 -20.704  29.954 -17.036
  958    HA   LYS 202           HA       LYS 202 -22.414  31.840 -15.445
  959   1HB   LYS 202          1HB       LYS 202 -22.795  29.094 -16.617
  960   2HB   LYS 202          2HB       LYS 202 -23.711  29.541 -15.177
  961   1HG   LYS 202          1HG       LYS 202 -25.187  30.445 -16.653
  962   2HG   LYS 202          2HG       LYS 202 -24.027  31.770 -16.752
  963   1HD   LYS 202          1HD       LYS 202 -23.311  31.156 -18.831
  964   2HD   LYS 202          2HD       LYS 202 -23.425  29.434 -18.469
  965   1HE   LYS 202          1HE       LYS 202 -26.048  30.760 -18.531
  966   2HE   LYS 202          2HE       LYS 202 -25.193  30.822 -20.083
  967   1HZ   LYS 202          1HZ       LYS 202 -25.467  28.376 -18.412
  968   2HZ   LYS 202          2HZ       LYS 202 -24.805  28.473 -19.973
  969   3HZ   LYS 202          3HZ       LYS 202 -26.467  28.732 -19.738
  970    H    ALA 203           H        ALA 203 -21.007  28.544 -15.186
  971    HA   ALA 203           HA       ALA 203 -20.379  29.163 -12.318
  972   1HB   ALA 203          1HB       ALA 203 -22.094  27.428 -12.696
  973   2HB   ALA 203          2HB       ALA 203 -20.635  26.695 -12.031
  974   3HB   ALA 203          3HB       ALA 203 -20.989  26.550 -13.752
  975    HA   PRO 204           HA       PRO 204 -16.312  28.725 -14.413
  976   1HB   PRO 204          1HB       PRO 204 -14.985  30.146 -12.422
  977   2HB   PRO 204          2HB       PRO 204 -15.683  30.878 -13.878
  978   1HG   PRO 204          1HG       PRO 204 -16.755  30.759 -11.108
  979   2HG   PRO 204          2HG       PRO 204 -16.873  32.051 -12.310
  980   1HD   PRO 204          1HD       PRO 204 -18.925  30.370 -11.733
  981   2HD   PRO 204          2HD       PRO 204 -18.697  31.103 -13.335
  982    H    ARG 205           H        ARG 205 -16.477  28.817 -10.827
  983    HA   ARG 205           HA       ARG 205 -15.861  25.978 -10.586
  984   1HB   ARG 205          1HB       ARG 205 -13.578  26.379  -9.641
  985   2HB   ARG 205          2HB       ARG 205 -13.693  26.881 -11.327
  986   1HG   ARG 205          1HG       ARG 205 -14.501  29.123  -9.838
  987   2HG   ARG 205          2HG       ARG 205 -13.100  28.481  -8.980
  988   1HD   ARG 205          1HD       ARG 205 -12.251  28.294 -11.582
  989   2HD   ARG 205          2HD       ARG 205 -13.242  29.764 -11.639
  990    HE   ARG 205           HE       ARG 205 -11.657  29.811  -9.259
  991   1HH1  ARG 205          1HH1      ARG 205 -11.346  30.052 -12.719
  992   2HH1  ARG 205          2HH1      ARG 205  -9.936  31.049 -12.633
  993   1HH2  ARG 205          1HH2      ARG 205  -9.825  31.106  -9.174
  994   2HH2  ARG 205          2HH2      ARG 205  -9.079  31.642 -10.642
  995    H    LYS 206           H        LYS 206 -17.243  25.638  -8.874
  996    HA   LYS 206           HA       LYS 206 -16.680  27.013  -6.322
  997   1HB   LYS 206          1HB       LYS 206 -19.052  27.783  -6.156
  998   2HB   LYS 206          2HB       LYS 206 -18.217  28.526  -7.521
  999   1HG   LYS 206          1HG       LYS 206 -19.261  26.118  -8.525
 1000   2HG   LYS 206          2HG       LYS 206 -20.547  26.794  -7.525
 1001   1HD   LYS 206          1HD       LYS 206 -19.034  28.415  -9.588
 1002   2HD   LYS 206          2HD       LYS 206 -20.544  27.575  -9.943
 1003   1HE   LYS 206          1HE       LYS 206 -20.737  29.153  -7.488
 1004   2HE   LYS 206          2HE       LYS 206 -20.339  30.152  -8.899
 1005   1HZ   LYS 206          1HZ       LYS 206 -22.165  29.289 -10.089
 1006   2HZ   LYS 206          2HZ       LYS 206 -22.782  29.649  -8.548
 1007   3HZ   LYS 206          3HZ       LYS 206 -22.425  28.042  -8.965
 1008    H    GLN 207           H        GLN 207 -16.467  24.257  -7.187
 1009    HA   GLN 207           HA       GLN 207 -18.745  22.961  -5.736
 1010   1HB   GLN 207          1HB       GLN 207 -16.965  22.305  -8.033
 1011   2HB   GLN 207          2HB       GLN 207 -17.405  20.953  -6.990
 1012   1HG   GLN 207          1HG       GLN 207 -19.644  21.080  -7.538
 1013   2HG   GLN 207          2HG       GLN 207 -19.584  22.821  -7.815
 1014   1HE2  GLN 207          1HE2      GLN 207 -19.808  19.869  -9.426
 1015   2HE2  GLN 207          2HE2      GLN 207 -19.272  20.366 -10.957
 1016    H    LEU 208           H        LEU 208 -15.198  22.610  -6.185
 1017    HA   LEU 208           HA       LEU 208 -14.865  20.931  -3.852
 1018   1HB   LEU 208          1HB       LEU 208 -13.271  22.248  -5.953
 1019   2HB   LEU 208          2HB       LEU 208 -12.416  22.097  -4.418
 1020    HG   LEU 208           HG       LEU 208 -13.390  19.633  -4.492
 1021   1HD1  LEU 208          1HD1      LEU 208 -13.485  18.789  -6.817
 1022   2HD1  LEU 208          2HD1      LEU 208 -13.271  20.433  -7.417
 1023   3HD1  LEU 208          3HD1      LEU 208 -14.731  20.003  -6.527
 1024   1HD2  LEU 208          1HD2      LEU 208 -10.954  20.572  -4.692
 1025   2HD2  LEU 208          2HD2      LEU 208 -11.145  20.215  -6.409
 1026   3HD2  LEU 208          3HD2      LEU 208 -11.279  18.920  -5.219
 1027    H    ALA 209           H        ALA 209 -15.540  21.876  -1.914
 1028    HA   ALA 209           HA       ALA 209 -14.072  24.340  -1.073
 1029   1HB   ALA 209          1HB       ALA 209 -16.661  24.375  -1.949
 1030   2HB   ALA 209          2HB       ALA 209 -16.030  25.505  -0.750
 1031   3HB   ALA 209          3HB       ALA 209 -16.909  24.067  -0.230
 1032    H    THR 210           H        THR 210 -15.369  24.557   1.437
 1033    HA   THR 210           HA       THR 210 -13.937  22.684   3.032
 1034    HB   THR 210           HB       THR 210 -14.706  24.879   3.803
 1035    HG1  THR 210           HG1      THR 210 -14.719  23.928   5.656
 1036   1HG2  THR 210          1HG2      THR 210 -16.765  25.596   3.246
 1037   2HG2  THR 210          2HG2      THR 210 -17.467  24.376   4.309
 1038   3HG2  THR 210          3HG2      THR 210 -17.161  23.998   2.614
 1039    H    LYS 211           H        LYS 211 -14.405  20.509   2.501
 1040    HA   LYS 211           HA       LYS 211 -17.050  19.527   3.435
 1041   1HB   LYS 211          1HB       LYS 211 -16.037  19.668   0.660
 1042   2HB   LYS 211          2HB       LYS 211 -16.668  18.085   1.116
 1043   1HG   LYS 211          1HG       LYS 211 -18.362  20.286   2.045
 1044   2HG   LYS 211          2HG       LYS 211 -18.192  20.254   0.290
 1045   1HD   LYS 211          1HD       LYS 211 -19.558  18.469   0.150
 1046   2HD   LYS 211          2HD       LYS 211 -18.549  17.568   1.282
 1047   1HE   LYS 211          1HE       LYS 211 -20.272  19.686   2.473
 1048   2HE   LYS 211          2HE       LYS 211 -21.101  18.242   1.862
 1049   1HZ   LYS 211          1HZ       LYS 211 -20.391  17.787   4.085
 1050   2HZ   LYS 211          2HZ       LYS 211 -18.819  18.343   3.766
 1051   3HZ   LYS 211          3HZ       LYS 211 -19.376  16.910   3.044
 1052    H    ALA 212           H        ALA 212 -14.147  18.310   1.708
 1053    HA   ALA 212           HA       ALA 212 -12.770  16.450   2.180
 1054   1HB   ALA 212          1HB       ALA 212 -13.424  16.812   5.079
 1055   2HB   ALA 212          2HB       ALA 212 -12.735  18.194   4.227
 1056   3HB   ALA 212          3HB       ALA 212 -11.849  16.671   4.299
 1057    H    ALA 213           H        ALA 213 -14.062  14.730   1.367
 1058    HA   ALA 213           HA       ALA 213 -15.768  13.331   3.403
 1059   1HB   ALA 213          1HB       ALA 213 -16.229  14.271   0.711
 1060   2HB   ALA 213          2HB       ALA 213 -17.376  13.514   1.815
 1061   3HB   ALA 213          3HB       ALA 213 -16.391  12.515   0.747
 1062    H    ARG 214           H        ARG 214 -15.346  11.126   3.706
 1063    HA   ARG 214           HA       ARG 214 -13.456   9.766   1.849
 1064   1HB   ARG 214          1HB       ARG 214 -13.034  10.565   4.711
 1065   2HB   ARG 214          2HB       ARG 214 -12.327   9.047   4.158
 1066   1HG   ARG 214          1HG       ARG 214 -11.308  10.328   2.233
 1067   2HG   ARG 214          2HG       ARG 214 -11.859  11.812   3.010
 1068   1HD   ARG 214          1HD       ARG 214 -10.233   9.821   4.587
 1069   2HD   ARG 214          2HD       ARG 214  -9.425  10.976   3.509
 1070    HE   ARG 214           HE       ARG 214 -10.810  11.637   5.993
 1071   1HH1  ARG 214          1HH1      ARG 214  -9.921  12.761   2.820
 1072   2HH1  ARG 214          2HH1      ARG 214  -9.998  14.429   3.270
 1073   1HH2  ARG 214          1HH2      ARG 214 -10.903  13.809   6.552
 1074   2HH2  ARG 214          2HH2      ARG 214 -10.549  15.021   5.366
 1075   1HN   MLZ 215          1HN       MLZ 215 -13.057   7.426   3.082
 1076    HA   MLZ 215           HA       MLZ 215 -15.755   6.238   3.187
 1077   1HB   MLZ 215          1HB       MLZ 215 -12.951   5.073   3.382
 1078   2HB   MLZ 215          2HB       MLZ 215 -14.427   4.140   3.137
 1079   1HG   MLZ 215          1HG       MLZ 215 -13.806   6.392   1.254
 1080   2HG   MLZ 215          2HG       MLZ 215 -14.710   4.907   0.959
 1081   1HD   MLZ 215          1HD       MLZ 215 -11.814   5.416   0.757
 1082   2HD   MLZ 215          2HD       MLZ 215 -12.225   3.931   1.614
 1083   1HE   MLZ 215          1HE       MLZ 215 -13.865   4.272  -0.780
 1084   2HE   MLZ 215          2HE       MLZ 215 -12.826   2.909  -0.323
 1085    HZ   MLZ 215           HZ       MLZ 215 -10.910   4.089  -1.075
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -11.730   3.044  -2.919
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -11.727   4.718  -3.461
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -13.218   3.983  -2.885
 1089    H    SER 216           H        SER 216 -16.788   6.234   5.151
 1090    HA   SER 216           HA       SER 216 -17.146   5.849   7.456
 1091   1HB   SER 216          1HB       SER 216 -15.821   7.298   8.761
 1092   2HB   SER 216          2HB       SER 216 -14.368   6.969   7.816
 1093    HG   SER 216           HG       SER 216 -16.026   8.963   7.519
 1094    H    ALA 217           H        ALA 217 -15.704   5.007   9.530
 1095    HA   ALA 217           HA       ALA 217 -14.684   2.365   8.659
 1096   1HB   ALA 217          1HB       ALA 217 -12.503   2.891   9.016
 1097   2HB   ALA 217          2HB       ALA 217 -12.879   3.591  10.591
 1098   3HB   ALA 217          3HB       ALA 217 -13.006   4.577   9.134
 1099    HA   PRO 218           HA       PRO 218 -16.530   1.054  12.420
 1100   1HB   PRO 218          1HB       PRO 218 -14.703  -0.845  13.304
 1101   2HB   PRO 218          2HB       PRO 218 -15.916  -1.138  12.045
 1102   1HG   PRO 218          1HG       PRO 218 -13.017  -0.532  11.789
 1103   2HG   PRO 218          2HG       PRO 218 -14.038  -1.599  10.815
 1104   1HD   PRO 218          1HD       PRO 218 -13.246   0.867   9.992
 1105   2HD   PRO 218          2HD       PRO 218 -14.772   0.117   9.479
 1106    H    ALA 219           H        ALA 219 -16.499   1.795  14.536
 1107    HA   ALA 219           HA       ALA 219 -14.267   3.462  15.407
 1108   1HB   ALA 219          1HB       ALA 219 -15.943   3.265  17.539
 1109   2HB   ALA 219          2HB       ALA 219 -17.023   2.715  16.258
 1110   3HB   ALA 219          3HB       ALA 219 -16.276   4.310  16.157
 1111    H    THR 220           H        THR 220 -12.881   1.273  15.204
 1112    HA   THR 220           HA       THR 220 -11.625  -0.366  16.350
 1113    HB   THR 220           HB       THR 220 -12.521   1.005  18.880
 1114    HG1  THR 220           HG1      THR 220 -11.197   2.738  18.357
 1115   1HG2  THR 220          1HG2      THR 220 -10.834  -0.709  19.112
 1116   2HG2  THR 220          2HG2      THR 220 -10.035   0.851  19.303
 1117   3HG2  THR 220          3HG2      THR 220  -9.893  -0.031  17.783
 1118    H    GLY 221           H        GLY 221 -12.870  -2.255  16.049
 1119   1HA   GLY 221          1HA       GLY 221 -13.739  -3.899  17.925
 1120   2HA   GLY 221          2HA       GLY 221 -15.096  -2.772  17.944
 1121   1H    MET   1          1H        MET   1   2.677  -9.879   5.396
 1122   2H    MET   1          2H        MET   1   1.770  -8.917   6.462
 1123   3H    MET   1          3H        MET   1   1.136 -10.389   5.897
 1124    HA   MET   1           HA       MET   1   3.262  -9.930   7.894
 1125   1HB   MET   1          1HB       MET   1   0.598 -11.285   7.598
 1126   2HB   MET   1          2HB       MET   1   1.719 -11.880   8.821
 1127   1HG   MET   1          1HG       MET   1   0.565 -10.258  10.033
 1128   2HG   MET   1          2HG       MET   1   1.930  -9.317   9.432
 1129   1HE   MET   1          1HE       MET   1   1.386  -7.001   7.618
 1130   2HE   MET   1          2HE       MET   1   1.531  -7.360   9.339
 1131   3HE   MET   1          3HE       MET   1   0.157  -6.427   8.746
 1132    H    PHE   2           H        PHE   2   1.797 -12.995   6.869
 1133    HA   PHE   2           HA       PHE   2   4.521 -13.906   6.004
 1134   1HB   PHE   2          1HB       PHE   2   3.997 -16.015   7.219
 1135   2HB   PHE   2          2HB       PHE   2   3.960 -14.624   8.302
 1136    HD1  PHE   2           HD1      PHE   2   1.919 -17.112   6.495
 1137    HD2  PHE   2           HD2      PHE   2   1.868 -13.801   9.232
 1138    HE1  PHE   2           HE1      PHE   2  -0.429 -17.641   7.091
 1139    HE2  PHE   2           HE2      PHE   2  -0.481 -14.330   9.828
 1140    HZ   PHE   2           HZ       PHE   2  -1.630 -16.250   8.757
 1141    H    ASN   3           H        ASN   3   4.535 -15.094   4.125
 1142    HA   ASN   3           HA       ASN   3   2.024 -16.344   3.144
 1143   1HB   ASN   3          1HB       ASN   3   2.357 -15.152   0.950
 1144   2HB   ASN   3          2HB       ASN   3   1.993 -14.053   2.280
 1145   1HD2  ASN   3          1HD2      ASN   3   4.286 -14.764  -0.190
 1146   2HD2  ASN   3          2HD2      ASN   3   5.499 -13.691   0.317
 1147    H    ASP   4           H        ASP   4   2.507 -17.767   1.223
 1148    HA   ASP   4           HA       ASP   4   4.858 -19.373   1.658
 1149   1HB   ASP   4          1HB       ASP   4   2.518 -19.930   0.686
 1150   2HB   ASP   4          2HB       ASP   4   3.147 -19.303  -0.838
 1151    H    ARG   5           H        ARG   5   6.174 -17.136   1.391
 1152    HA   ARG   5           HA       ARG   5   7.866 -17.402  -0.902
 1153   1HB   ARG   5          1HB       ARG   5   5.448 -16.281  -1.553
 1154   2HB   ARG   5          2HB       ARG   5   6.369 -14.841  -1.135
 1155   1HG   ARG   5          1HG       ARG   5   6.674 -15.227  -3.492
 1156   2HG   ARG   5          2HG       ARG   5   8.185 -15.658  -2.691
 1157   1HD   ARG   5          1HD       ARG   5   7.216 -18.057  -2.594
 1158   2HD   ARG   5          2HD       ARG   5   6.066 -17.491  -3.817
 1159    HE   ARG   5           HE       ARG   5   8.621 -16.619  -4.643
 1160   1HH1  ARG   5          1HH1      ARG   5   6.964 -19.624  -4.050
 1161   2HH1  ARG   5          2HH1      ARG   5   7.896 -20.494  -5.217
 1162   1HH2  ARG   5          1HH2      ARG   5   9.816 -17.771  -6.152
 1163   2HH2  ARG   5          2HH2      ARG   5   9.499 -19.455  -6.400
 1164    H    VAL   6           H        VAL   6   6.481 -15.189   1.502
 1165    HA   VAL   6           HA       VAL   6   9.186 -14.481   2.454
 1166    HB   VAL   6           HB       VAL   6   7.243 -12.557   1.121
 1167   1HG1  VAL   6          1HG1      VAL   6   9.662 -11.976   2.852
 1168   2HG1  VAL   6          2HG1      VAL   6   8.006 -11.425   3.108
 1169   3HG1  VAL   6          3HG1      VAL   6   8.947 -10.792   1.758
 1170   1HG2  VAL   6          1HG2      VAL   6  10.009 -13.576   0.547
 1171   2HG2  VAL   6          2HG2      VAL   6   9.532 -11.978  -0.023
 1172   3HG2  VAL   6          3HG2      VAL   6   8.637 -13.404  -0.548
 1173    H    ILE   7           H        ILE   7   8.964 -12.970   4.403
 1174    HA   ILE   7           HA       ILE   7   6.287 -13.039   5.703
 1175    HB   ILE   7           HB       ILE   7   7.427 -15.100   6.377
 1176   1HG1  ILE   7          1HG1      ILE   7   7.730 -13.082   8.617
 1177   2HG1  ILE   7          2HG1      ILE   7   6.172 -13.722   8.093
 1178   1HG2  ILE   7          1HG2      ILE   7   9.692 -13.271   7.229
 1179   2HG2  ILE   7          2HG2      ILE   7   9.724 -14.353   5.837
 1180   3HG2  ILE   7          3HG2      ILE   7   9.633 -15.017   7.468
 1181   1HD1  ILE   7          1HD1      ILE   7   8.478 -15.504   8.910
 1182   2HD1  ILE   7          2HD1      ILE   7   6.787 -15.958   8.692
 1183   3HD1  ILE   7          3HD1      ILE   7   7.259 -14.941  10.053
 1184    H    VAL   8           H        VAL   8   6.030 -11.303   7.198
 1185    HA   VAL   8           HA       VAL   8   8.027  -9.149   6.916
 1186    HB   VAL   8           HB       VAL   8   5.311  -9.326   8.271
 1187   1HG1  VAL   8          1HG1      VAL   8   7.357  -7.351   8.459
 1188   2HG1  VAL   8          2HG1      VAL   8   5.705  -7.259   9.072
 1189   3HG1  VAL   8          3HG1      VAL   8   6.075  -6.682   7.448
 1190   1HG2  VAL   8          1HG2      VAL   8   5.408  -7.652   5.942
 1191   2HG2  VAL   8          2HG2      VAL   8   4.449  -9.109   6.204
 1192   3HG2  VAL   8          3HG2      VAL   8   6.073  -9.233   5.528
 1193    H    LYS   9           H        LYS   9   9.758  -9.503   8.274
 1194    HA   LYS   9           HA       LYS   9   9.160  -9.769  11.194
 1195   1HB   LYS   9          1HB       LYS   9  11.551 -10.807   9.660
 1196   2HB   LYS   9          2HB       LYS   9  11.187 -11.101  11.354
 1197   1HG   LYS   9          1HG       LYS   9   8.908 -11.822   9.745
 1198   2HG   LYS   9          2HG       LYS   9  10.345 -12.634   9.127
 1199   1HD   LYS   9          1HD       LYS   9  10.436 -12.760  11.974
 1200   2HD   LYS   9          2HD       LYS   9   8.823 -13.257  11.471
 1201   1HE   LYS   9          1HE       LYS   9  10.085 -14.713   9.698
 1202   2HE   LYS   9          2HE       LYS   9  11.484 -14.491  10.766
 1203   1HZ   LYS   9          1HZ       LYS   9   8.794 -15.391  11.666
 1204   2HZ   LYS   9          2HZ       LYS   9  10.197 -15.285  12.618
 1205   3HZ   LYS   9          3HZ       LYS   9  10.099 -16.437  11.373
 1206    H    LYS  10           H        LYS  10  11.305  -6.941  11.744
 1207    HA   LYS  10           HA       LYS  10  10.378  -7.574  13.771
 1208   1HB   LYS  10          1HB       LYS  10   8.134  -8.701  12.072
 1209   2HB   LYS  10          2HB       LYS  10   8.036  -8.029  13.685
 1210   1HG   LYS  10          1HG       LYS  10   7.840  -5.938  12.896
 1211   2HG   LYS  10          2HG       LYS  10   9.223  -6.137  11.829
 1212   1HD   LYS  10          1HD       LYS  10   7.426  -5.805  10.338
 1213   2HD   LYS  10          2HD       LYS  10   7.621  -7.557  10.366
 1214   1HE   LYS  10          1HE       LYS  10   5.826  -6.463  12.460
 1215   2HE   LYS  10          2HE       LYS  10   5.227  -6.335  10.795
 1216   1HZ   LYS  10          1HZ       LYS  10   4.633  -8.487  11.470
 1217   2HZ   LYS  10          2HZ       LYS  10   6.115  -8.756  12.255
 1218   3HZ   LYS  10          3HZ       LYS  10   6.047  -8.720  10.558
 1219    H    SER  11           H        SER  11  12.307  -9.372  13.090
 1220    HA   SER  11           HA       SER  11  11.108 -12.048  13.652
 1221   1HB   SER  11          1HB       SER  11  13.198 -11.094  11.973
 1222   2HB   SER  11          2HB       SER  11  13.957 -12.078  13.223
 1223    HG   SER  11           HG       SER  11  12.849 -13.803  12.585
 1224    HA   PRO  12           HA       PRO  12  14.055 -11.501  17.250
 1225   1HB   PRO  12          1HB       PRO  12  16.033  -9.661  17.258
 1226   2HB   PRO  12          2HB       PRO  12  16.167 -11.132  16.275
 1227   1HG   PRO  12          1HG       PRO  12  15.561  -8.347  15.453
 1228   2HG   PRO  12          2HG       PRO  12  16.419  -9.620  14.578
 1229   1HD   PRO  12          1HD       PRO  12  13.721  -8.850  14.250
 1230   2HD   PRO  12          2HD       PRO  12  14.528 -10.257  13.539
 1231    H    LEU  13           H        LEU  13  11.734  -9.705  16.680
 1232    HA   LEU  13           HA       LEU  13  10.533  -7.973  17.748
 1233   1HB   LEU  13          1HB       LEU  13  12.292  -9.283  19.660
 1234   2HB   LEU  13          2HB       LEU  13  12.062  -7.589  20.093
 1235    HG   LEU  13           HG       LEU  13   9.698  -9.280  19.313
 1236   1HD1  LEU  13          1HD1      LEU  13  10.541  -8.982  22.183
 1237   2HD1  LEU  13          2HD1      LEU  13  11.202 -10.297  21.211
 1238   3HD1  LEU  13          3HD1      LEU  13   9.460 -10.174  21.461
 1239   1HD2  LEU  13          1HD2      LEU  13  10.220  -6.751  20.861
 1240   2HD2  LEU  13          2HD2      LEU  13   8.728  -7.656  21.113
 1241   3HD2  LEU  13          3HD2      LEU  13   9.112  -7.014  19.515
 1242    H    GLY  14           H        GLY  14  12.247  -7.031  15.820
 1243   1HA   GLY  14          1HA       GLY  14  13.570  -4.680  17.116
 1244   2HA   GLY  14          2HA       GLY  14  14.151  -5.417  15.625
 1245    H    GLY  15           H        GLY  15  13.674  -4.171  13.899
 1246   1HA   GLY  15          1HA       GLY  15  11.317  -2.377  14.037
 1247   2HA   GLY  15          2HA       GLY  15  12.642  -2.244  12.883
 1248    H    TYR  16           H        TYR  16  11.190  -2.215  11.082
 1249    HA   TYR  16           HA       TYR  16   9.702  -4.772  10.599
 1250   1HB   TYR  16          1HB       TYR  16   9.223  -1.875  10.139
 1251   2HB   TYR  16          2HB       TYR  16   8.669  -2.951   8.857
 1252    HD1  TYR  16           HD1      TYR  16   8.755  -3.043  12.616
 1253    HD2  TYR  16           HD2      TYR  16   6.431  -3.545   9.038
 1254    HE1  TYR  16           HE1      TYR  16   6.777  -3.650  13.985
 1255    HE2  TYR  16           HE2      TYR  16   4.454  -4.152  10.406
 1256    HH   TYR  16           HH       TYR  16   4.627  -5.025  13.598
 1257    H    GLY  17           H        GLY  17  10.969  -6.046   9.274
 1258   1HA   GLY  17          1HA       GLY  17  11.973  -4.798   6.759
 1259   2HA   GLY  17          2HA       GLY  17  13.064  -5.804   7.714
 1260    H    VAL  18           H        VAL  18  12.657  -6.711   5.200
 1261    HA   VAL  18           HA       VAL  18  10.412  -8.668   5.290
 1262    HB   VAL  18           HB       VAL  18  12.388  -7.846   3.130
 1263   1HG1  VAL  18          1HG1      VAL  18  11.012  -9.109   1.597
 1264   2HG1  VAL  18          2HG1      VAL  18   9.841  -9.464   2.867
 1265   3HG1  VAL  18          3HG1      VAL  18  11.451 -10.181   2.927
 1266   1HG2  VAL  18          1HG2      VAL  18   9.556  -7.244   2.742
 1267   2HG2  VAL  18          2HG2      VAL  18  10.955  -6.180   2.599
 1268   3HG2  VAL  18          3HG2      VAL  18  10.215  -6.457   4.176
 1269    H    PHE  19           H        PHE  19  10.817 -10.798   5.756
 1270    HA   PHE  19           HA       PHE  19  13.677 -11.663   5.917
 1271   1HB   PHE  19          1HB       PHE  19  11.199 -12.074   7.470
 1272   2HB   PHE  19          2HB       PHE  19  12.140 -13.545   7.224
 1273    HD1  PHE  19           HD1      PHE  19  13.233  -9.983   7.604
 1274    HD2  PHE  19           HD2      PHE  19  13.278 -13.955   9.241
 1275    HE1  PHE  19           HE1      PHE  19  14.826  -9.243   9.354
 1276    HE2  PHE  19           HE2      PHE  19  14.872 -13.214  10.991
 1277    HZ   PHE  19           HZ       PHE  19  15.645 -10.858  11.048
 1278    H    ALA  20           H        ALA  20  14.356 -13.298   4.583
 1279    HA   ALA  20           HA       ALA  20  12.380 -14.445   2.684
 1280   1HB   ALA  20          1HB       ALA  20  15.201 -15.162   2.373
 1281   2HB   ALA  20          2HB       ALA  20  14.979 -13.420   2.531
 1282   3HB   ALA  20          3HB       ALA  20  14.143 -14.303   1.254
 1283    H    ARG  21           H        ARG  21  11.419 -16.035   4.137
 1284    HA   ARG  21           HA       ARG  21  12.837 -17.948   5.697
 1285   1HB   ARG  21          1HB       ARG  21  10.203 -17.329   4.946
 1286   2HB   ARG  21          2HB       ARG  21  10.449 -18.971   4.352
 1287   1HG   ARG  21          1HG       ARG  21  10.731 -19.841   6.470
 1288   2HG   ARG  21          2HG       ARG  21  11.415 -18.345   7.106
 1289   1HD   ARG  21          1HD       ARG  21   9.012 -17.370   6.720
 1290   2HD   ARG  21          2HD       ARG  21   8.518 -19.074   6.702
 1291    HE   ARG  21           HE       ARG  21   9.514 -17.601   9.026
 1292   1HH1  ARG  21          1HH1      ARG  21   9.211 -20.714   7.498
 1293   2HH1  ARG  21          2HH1      ARG  21   9.327 -21.580   8.990
 1294   1HH2  ARG  21          1HH2      ARG  21   9.662 -18.747  10.950
 1295   2HH2  ARG  21          2HH2      ARG  21   9.581 -20.477  10.931
 1296    H    LYS  22           H        LYS  22  12.257 -17.696   2.260
 1297    HA   LYS  22           HA       LYS  22  13.120 -20.445   1.656
 1298   1HB   LYS  22          1HB       LYS  22  12.672 -18.017  -0.132
 1299   2HB   LYS  22          2HB       LYS  22  12.672 -19.702  -0.640
 1300   1HG   LYS  22          1HG       LYS  22  10.765 -19.972   1.134
 1301   2HG   LYS  22          2HG       LYS  22  10.608 -18.225   0.960
 1302   1HD   LYS  22          1HD       LYS  22   9.101 -19.199  -0.631
 1303   2HD   LYS  22          2HD       LYS  22  10.482 -18.608  -1.553
 1304   1HE   LYS  22          1HE       LYS  22  11.192 -20.732  -2.094
 1305   2HE   LYS  22          2HE       LYS  22  10.650 -21.414  -0.549
 1306   1HZ   LYS  22          1HZ       LYS  22   9.185 -22.118  -2.338
 1307   2HZ   LYS  22          2HZ       LYS  22   8.901 -20.503  -2.781
 1308   3HZ   LYS  22          3HZ       LYS  22   8.350 -21.083  -1.283
 1309    H    SER  23           H        SER  23  16.402 -19.517   0.212
 1310    HA   SER  23           HA       SER  23  13.905 -21.116  -0.168
 1311   1HB   SER  23          1HB       SER  23  16.410 -21.835  -1.564
 1312   2HB   SER  23          2HB       SER  23  16.547 -21.808   0.194
 1313    HG   SER  23           HG       SER  23  15.704 -23.787  -1.056
 1314    H    PHE  24           H        PHE  24  15.974 -18.735  -1.634
 1315    HA   PHE  24           HA       PHE  24  14.313 -18.858  -4.125
 1316   1HB   PHE  24          1HB       PHE  24  15.604 -16.684  -2.479
 1317   2HB   PHE  24          2HB       PHE  24  15.173 -16.376  -4.157
 1318    HD1  PHE  24           HD1      PHE  24  12.677 -17.717  -4.590
 1319    HD2  PHE  24           HD2      PHE  24  14.057 -15.697  -1.060
 1320    HE1  PHE  24           HE1      PHE  24  10.329 -17.314  -3.900
 1321    HE2  PHE  24           HE2      PHE  24  11.711 -15.294  -0.370
 1322    HZ   PHE  24           HZ       PHE  24   9.847 -16.103  -1.789
 1323    H    GLU  25           H        GLU  25  15.424 -18.598  -6.142
 1324    HA   GLU  25           HA       GLU  25  18.276 -19.393  -6.087
 1325   1HB   GLU  25          1HB       GLU  25  16.049 -19.963  -7.658
 1326   2HB   GLU  25          2HB       GLU  25  16.980 -18.860  -8.672
 1327   1HG   GLU  25          1HG       GLU  25  18.963 -20.265  -8.444
 1328   2HG   GLU  25          2HG       GLU  25  18.115 -21.329  -7.323
 1329    H    LYS  26           H        LYS  26  19.029 -18.140  -8.545
 1330    HA   LYS  26           HA       LYS  26  19.698 -15.467  -7.555
 1331   1HB   LYS  26          1HB       LYS  26  21.213 -17.030  -8.826
 1332   2HB   LYS  26          2HB       LYS  26  20.195 -16.788 -10.246
 1333   1HG   LYS  26          1HG       LYS  26  20.650 -14.360 -10.154
 1334   2HG   LYS  26          2HG       LYS  26  21.674 -14.608  -8.740
 1335   1HD   LYS  26          1HD       LYS  26  23.328 -15.715  -9.973
 1336   2HD   LYS  26          2HD       LYS  26  22.211 -16.149 -11.267
 1337   1HE   LYS  26          1HE       LYS  26  22.347 -14.048 -12.265
 1338   2HE   LYS  26          2HE       LYS  26  22.732 -13.236 -10.736
 1339   1HZ   LYS  26          1HZ       LYS  26  24.863 -14.414 -10.716
 1340   2HZ   LYS  26          2HZ       LYS  26  24.716 -13.444 -12.103
 1341   3HZ   LYS  26          3HZ       LYS  26  24.496 -15.125 -12.215
 1342    H    GLY  27           H        GLY  27  16.959 -16.661  -9.083
 1343   1HA   GLY  27          1HA       GLY  27  16.131 -13.961  -9.863
 1344   2HA   GLY  27          2HA       GLY  27  16.270 -15.092 -11.209
 1345    H    GLU  28           H        GLU  28  14.825 -14.933  -7.932
 1346    HA   GLU  28           HA       GLU  28  12.502 -16.490  -9.023
 1347   1HB   GLU  28          1HB       GLU  28  14.080 -16.532  -6.481
 1348   2HB   GLU  28          2HB       GLU  28  12.353 -16.872  -6.361
 1349   1HG   GLU  28          1HG       GLU  28  12.819 -18.471  -8.399
 1350   2HG   GLU  28          2HG       GLU  28  14.485 -18.400  -7.825
 1351    H    LEU  29           H        LEU  29  10.694 -15.233  -9.193
 1352    HA   LEU  29           HA       LEU  29  10.412 -12.572  -8.321
 1353   1HB   LEU  29          1HB       LEU  29   9.006 -13.774  -9.986
 1354   2HB   LEU  29          2HB       LEU  29   8.290 -14.722  -8.682
 1355    HG   LEU  29           HG       LEU  29   7.623 -12.487  -7.624
 1356   1HD1  LEU  29          1HD1      LEU  29   7.998 -11.422 -10.424
 1357   2HD1  LEU  29          2HD1      LEU  29   9.256 -11.247  -9.200
 1358   3HD1  LEU  29          3HD1      LEU  29   7.669 -10.521  -8.943
 1359   1HD2  LEU  29          1HD2      LEU  29   6.022 -13.967  -8.790
 1360   2HD2  LEU  29          2HD2      LEU  29   6.449 -13.214 -10.326
 1361   3HD2  LEU  29          3HD2      LEU  29   5.640 -12.269  -9.076
 1362    H    VAL  30           H        VAL  30  10.127 -11.711  -6.312
 1363    HA   VAL  30           HA       VAL  30   9.425 -13.543  -4.059
 1364    HB   VAL  30           HB       VAL  30  10.602 -10.737  -4.144
 1365   1HG1  VAL  30          1HG1      VAL  30  11.194 -11.150  -1.810
 1366   2HG1  VAL  30          2HG1      VAL  30  10.498 -12.768  -1.894
 1367   3HG1  VAL  30          3HG1      VAL  30   9.454 -11.352  -2.018
 1368   1HG2  VAL  30          1HG2      VAL  30  12.157 -12.248  -5.181
 1369   2HG2  VAL  30          2HG2      VAL  30  11.874 -13.477  -3.949
 1370   3HG2  VAL  30          3HG2      VAL  30  12.723 -11.990  -3.531
 1371    H    GLU  31           H        GLU  31   7.099 -13.326  -4.971
 1372    HA   GLU  31           HA       GLU  31   4.921 -12.455  -4.719
 1373   1HB   GLU  31          1HB       GLU  31   5.757 -12.580  -2.342
 1374   2HB   GLU  31          2HB       GLU  31   6.278 -10.902  -2.484
 1375   1HG   GLU  31          1HG       GLU  31   4.072 -10.992  -1.428
 1376   2HG   GLU  31          2HG       GLU  31   3.938 -10.248  -3.021
 1377    H    GLU  32           H        GLU  32   3.658 -10.396  -4.939
 1378    HA   GLU  32           HA       GLU  32   5.152  -7.955  -5.635
 1379   1HB   GLU  32          1HB       GLU  32   4.267  -8.015  -7.984
 1380   2HB   GLU  32          2HB       GLU  32   5.374  -9.346  -7.646
 1381   1HG   GLU  32          1HG       GLU  32   3.645 -10.925  -7.535
 1382   2HG   GLU  32          2HG       GLU  32   2.418  -9.701  -7.207
 1383    H    CYS  33           H        CYS  33   3.690  -6.134  -5.952
 1384    HA   CYS  33           HA       CYS  33   0.797  -6.640  -5.478
 1385   1HB   CYS  33          1HB       CYS  33   2.795  -5.691  -3.561
 1386   2HB   CYS  33          2HB       CYS  33   1.462  -4.550  -3.738
 1387    HG   CYS  33           HG       CYS  33   0.968  -7.562  -3.035
 1388    H    LEU  34           H        LEU  34   0.096  -3.958  -4.987
 1389    HA   LEU  34           HA       LEU  34   0.643  -2.765  -7.655
 1390   1HB   LEU  34          1HB       LEU  34  -1.434  -2.554  -5.495
 1391   2HB   LEU  34          2HB       LEU  34  -1.246  -1.206  -6.614
 1392    HG   LEU  34           HG       LEU  34  -2.938  -2.842  -7.411
 1393   1HD1  LEU  34          1HD1      LEU  34  -2.328  -2.372  -9.535
 1394   2HD1  LEU  34          2HD1      LEU  34  -0.849  -3.322  -9.400
 1395   3HD1  LEU  34          3HD1      LEU  34  -0.877  -1.650  -8.840
 1396   1HD2  LEU  34          1HD2      LEU  34  -1.482  -4.784  -6.367
 1397   2HD2  LEU  34          2HD2      LEU  34  -0.721  -4.789  -7.958
 1398   3HD2  LEU  34          3HD2      LEU  34  -2.453  -5.086  -7.808
 1399    H    CYS  35           H        CYS  35   0.538  -0.186  -7.435
 1400    HA   CYS  35           HA       CYS  35   2.086   0.789  -5.102
 1401   1HB   CYS  35          1HB       CYS  35   3.060   0.366  -7.878
 1402   2HB   CYS  35          2HB       CYS  35   3.503   1.908  -7.148
 1403    HG   CYS  35           HG       CYS  35   5.304   0.553  -6.087
 1404    H    ILE  36           H        ILE  36   2.458   3.317  -5.557
 1405    HA   ILE  36           HA       ILE  36  -0.136   4.341  -6.661
 1406    HB   ILE  36           HB       ILE  36   1.701   5.531  -4.551
 1407   1HG1  ILE  36          1HG1      ILE  36  -0.805   3.831  -4.290
 1408   2HG1  ILE  36          2HG1      ILE  36   0.816   3.417  -3.734
 1409   1HG2  ILE  36          1HG2      ILE  36   0.258   7.165  -5.699
 1410   2HG2  ILE  36          2HG2      ILE  36  -0.288   6.923  -4.040
 1411   3HG2  ILE  36          3HG2      ILE  36  -1.154   6.159  -5.373
 1412   1HD1  ILE  36          1HD1      ILE  36  -1.200   4.820  -2.302
 1413   2HD1  ILE  36          2HD1      ILE  36   0.092   5.972  -2.637
 1414   3HD1  ILE  36          3HD1      ILE  36   0.448   4.472  -1.782
 1415    H    VAL  37           H        VAL  37  -0.041   5.965  -8.204
 1416    HA   VAL  37           HA       VAL  37   2.700   6.895  -8.998
 1417    HB   VAL  37           HB       VAL  37   0.185   6.500 -10.665
 1418   1HG1  VAL  37          1HG1      VAL  37   1.682   6.780 -12.574
 1419   2HG1  VAL  37          2HG1      VAL  37   3.067   6.949 -11.496
 1420   3HG1  VAL  37          3HG1      VAL  37   1.813   8.189 -11.521
 1421   1HG2  VAL  37          1HG2      VAL  37   2.007   4.582  -9.614
 1422   2HG2  VAL  37          2HG2      VAL  37   2.346   4.731 -11.338
 1423   3HG2  VAL  37          3HG2      VAL  37   0.722   4.317 -10.793
 1424    H    ARG  38           H        ARG  38   2.922   9.009  -8.359
 1425    HA   ARG  38           HA       ARG  38   0.755  10.925  -9.062
 1426   1HB   ARG  38          1HB       ARG  38   0.377  10.133  -6.742
 1427   2HB   ARG  38          2HB       ARG  38   2.026  10.592  -6.318
 1428   1HG   ARG  38          1HG       ARG  38   0.482  12.352  -5.613
 1429   2HG   ARG  38          2HG       ARG  38   1.492  12.947  -6.929
 1430   1HD   ARG  38          1HD       ARG  38  -0.411  13.464  -8.054
 1431   2HD   ARG  38          2HD       ARG  38  -0.763  11.728  -8.152
 1432    HE   ARG  38           HE       ARG  38  -1.439  12.617  -5.532
 1433   1HH1  ARG  38          1HH1      ARG  38  -2.459  13.026  -8.835
 1434   2HH1  ARG  38          2HH1      ARG  38  -4.104  13.336  -8.404
 1435   1HH2  ARG  38          1HH2      ARG  38  -3.581  13.022  -4.998
 1436   2HH2  ARG  38          2HH2      ARG  38  -4.737  13.334  -6.249
 1437    H    HIS  39           H        HIS  39   1.551  13.174  -9.053
 1438    HA   HIS  39           HA       HIS  39   4.232  13.425 -10.100
 1439   1HB   HIS  39          1HB       HIS  39   2.063  15.354  -9.218
 1440   2HB   HIS  39          2HB       HIS  39   3.567  15.897  -9.961
 1441    HD1  HIS  39           HD1      HIS  39   1.025  16.457 -11.502
 1442    HD2  HIS  39           HD2      HIS  39   3.170  12.911 -11.952
 1443    HE1  HIS  39           HE1      HIS  39   0.388  15.516 -13.766
 1444    H    ASN  40           H        ASN  40   5.442  15.552  -9.068
 1445    HA   ASN  40           HA       ASN  40   6.301  14.665  -6.392
 1446   1HB   ASN  40          1HB       ASN  40   7.194  16.936  -8.211
 1447   2HB   ASN  40          2HB       ASN  40   8.087  16.321  -6.820
 1448   1HD2  ASN  40          1HD2      ASN  40   8.353  16.218 -10.023
 1449   2HD2  ASN  40          2HD2      ASN  40   8.862  14.618 -10.270
 1450    H    ASP  41           H        ASP  41   7.025  17.681  -5.920
 1451    HA   ASP  41           HA       ASP  41   6.095  19.497  -4.746
 1452   1HB   ASP  41          1HB       ASP  41   4.566  19.098  -6.927
 1453   2HB   ASP  41          2HB       ASP  41   3.359  18.742  -5.692
 1454    H    ASP  42           H        ASP  42   3.144  19.247  -3.811
 1455    HA   ASP  42           HA       ASP  42   3.488  18.529  -1.164
 1456   1HB   ASP  42          1HB       ASP  42   1.168  18.298  -3.090
 1457   2HB   ASP  42          2HB       ASP  42   0.968  17.920  -1.379
 1458    H    TRP  43           H        TRP  43   3.156  16.338  -3.899
 1459    HA   TRP  43           HA       TRP  43   2.461  13.945  -2.503
 1460   1HB   TRP  43          1HB       TRP  43   2.395  14.165  -4.934
 1461   2HB   TRP  43          2HB       TRP  43   4.125  14.503  -4.989
 1462    HD1  TRP  43           HD1      TRP  43   5.605  12.498  -5.466
 1463    HE1  TRP  43           HE1      TRP  43   5.372   9.939  -5.275
 1464    HE3  TRP  43           HE3      TRP  43   0.977  12.191  -3.330
 1465    HZ2  TRP  43           HZ2      TRP  43   3.475   8.016  -4.340
 1466    HZ3  TRP  43           HZ3      TRP  43  -0.016   9.983  -2.801
 1467    HH2  TRP  43           HH2      TRP  43   1.225   7.899  -3.304
 1468    H    GLY  44           H        GLY  44   5.704  15.087  -3.539
 1469   1HA   GLY  44          1HA       GLY  44   7.193  13.084  -2.197
 1470   2HA   GLY  44          2HA       GLY  44   7.821  14.679  -2.614
 1471    H    THR  45           H        THR  45   5.844  16.135  -1.026
 1472    HA   THR  45           HA       THR  45   7.221  16.139   1.512
 1473    HB   THR  45           HB       THR  45   4.576  17.345   0.616
 1474    HG1  THR  45           HG1      THR  45   6.242  18.061  -0.663
 1475   1HG2  THR  45          1HG2      THR  45   5.549  17.184   3.179
 1476   2HG2  THR  45          2HG2      THR  45   4.484  18.462   2.595
 1477   3HG2  THR  45          3HG2      THR  45   6.229  18.718   2.635
 1478    H    ALA  46           H        ALA  46   3.699  15.659   1.028
 1479    HA   ALA  46           HA       ALA  46   3.171  14.438   3.506
 1480   1HB   ALA  46          1HB       ALA  46   1.364  15.142   2.127
 1481   2HB   ALA  46          2HB       ALA  46   1.246  13.382   2.111
 1482   3HB   ALA  46          3HB       ALA  46   1.961  14.231   0.740
 1483    H    LEU  47           H        LEU  47   3.783  12.773   0.384
 1484    HA   LEU  47           HA       LEU  47   4.146  10.210   1.816
 1485   1HB   LEU  47          1HB       LEU  47   4.206  11.036  -1.113
 1486   2HB   LEU  47          2HB       LEU  47   4.344   9.372  -0.555
 1487    HG   LEU  47           HG       LEU  47   2.055   9.636  -1.120
 1488   1HD1  LEU  47          1HD1      LEU  47   1.067   8.946   0.824
 1489   2HD1  LEU  47          2HD1      LEU  47   1.684  10.320   1.742
 1490   3HD1  LEU  47          3HD1      LEU  47   2.732   8.946   1.405
 1491   1HD2  LEU  47          1HD2      LEU  47   2.400  12.259  -0.988
 1492   2HD2  LEU  47          2HD2      LEU  47   1.674  12.049   0.605
 1493   3HD2  LEU  47          3HD2      LEU  47   0.791  11.552  -0.838
 1494    H    GLU  48           H        GLU  48   6.135  12.056   2.538
 1495    HA   GLU  48           HA       GLU  48   8.509  11.846   0.897
 1496   1HB   GLU  48          1HB       GLU  48   9.565  12.768   2.972
 1497   2HB   GLU  48          2HB       GLU  48   8.103  13.645   2.522
 1498   1HG   GLU  48          1HG       GLU  48   7.406  13.263   4.642
 1499   2HG   GLU  48          2HG       GLU  48   7.141  11.597   4.129
 1500    H    ASP  49           H        ASP  49   6.922   9.511   2.775
 1501    HA   ASP  49           HA       ASP  49   9.479   8.006   3.196
 1502   1HB   ASP  49          1HB       ASP  49   7.698   8.840   5.070
 1503   2HB   ASP  49          2HB       ASP  49   6.975   7.287   4.648
 1504    H    TYR  50           H        TYR  50   9.493   5.828   2.517
 1505    HA   TYR  50           HA       TYR  50   8.887   3.988   1.165
 1506   1HB   TYR  50          1HB       TYR  50   6.082   4.883   1.928
 1507   2HB   TYR  50          2HB       TYR  50   6.588   3.253   1.494
 1508    HD1  TYR  50           HD1      TYR  50   5.276   4.502   4.140
 1509    HD2  TYR  50           HD2      TYR  50   9.217   3.195   3.035
 1510    HE1  TYR  50           HE1      TYR  50   5.788   4.030   6.520
 1511    HE2  TYR  50           HE2      TYR  50   9.727   2.723   5.416
 1512    HH   TYR  50           HH       TYR  50   7.901   2.154   7.608
 1513    H    LEU  51           H        LEU  51   9.242   6.550  -0.151
 1514    HA   LEU  51           HA       LEU  51   7.246   6.296  -2.380
 1515   1HB   LEU  51          1HB       LEU  51   7.444   8.363  -0.698
 1516   2HB   LEU  51          2HB       LEU  51   8.751   8.825  -1.788
 1517    HG   LEU  51           HG       LEU  51   7.104   8.487  -3.703
 1518   1HD1  LEU  51          1HD1      LEU  51   5.199   7.420  -3.095
 1519   2HD1  LEU  51          2HD1      LEU  51   4.691   8.978  -2.442
 1520   3HD1  LEU  51          3HD1      LEU  51   5.446   7.784  -1.387
 1521   1HD2  LEU  51          1HD2      LEU  51   7.671  10.684  -2.206
 1522   2HD2  LEU  51          2HD2      LEU  51   5.923  10.598  -1.987
 1523   3HD2  LEU  51          3HD2      LEU  51   6.604  10.717  -3.610
 1524    H    PHE  52           H        PHE  52   8.199   5.632  -4.255
 1525    HA   PHE  52           HA       PHE  52  11.144   5.958  -4.589
 1526   1HB   PHE  52          1HB       PHE  52   8.963   4.256  -5.817
 1527   2HB   PHE  52          2HB       PHE  52  10.557   4.365  -6.564
 1528    HD1  PHE  52           HD1      PHE  52  12.586   3.637  -5.298
 1529    HD2  PHE  52           HD2      PHE  52   8.611   3.023  -3.788
 1530    HE1  PHE  52           HE1      PHE  52  13.459   1.977  -3.675
 1531    HE2  PHE  52           HE2      PHE  52   9.484   1.363  -2.166
 1532    HZ   PHE  52           HZ       PHE  52  11.908   0.840  -2.109
 1533    H    SER  53           H        SER  53  11.933   7.426  -6.072
 1534    HA   SER  53           HA       SER  53   9.967   9.032  -7.607
 1535   1HB   SER  53          1HB       SER  53  11.796  10.601  -7.758
 1536   2HB   SER  53          2HB       SER  53  11.827   9.949  -6.121
 1537    HG   SER  53           HG       SER  53  13.388   8.415  -6.910
 1538    H    ARG  54           H        ARG  54   9.659   8.712  -9.754
 1539    HA   ARG  54           HA       ARG  54  11.594   6.984 -11.229
 1540   1HB   ARG  54          1HB       ARG  54   9.253   6.229 -11.066
 1541   2HB   ARG  54          2HB       ARG  54   8.689   7.778 -11.685
 1542   1HG   ARG  54          1HG       ARG  54   8.677   6.059 -13.453
 1543   2HG   ARG  54          2HG       ARG  54   9.821   7.340 -13.833
 1544   1HD   ARG  54          1HD       ARG  54  11.603   5.828 -12.710
 1545   2HD   ARG  54          2HD       ARG  54  10.399   4.537 -12.853
 1546    HE   ARG  54           HE       ARG  54  11.835   5.803 -15.066
 1547   1HH1  ARG  54          1HH1      ARG  54   8.933   4.154 -14.078
 1548   2HH1  ARG  54          2HH1      ARG  54   8.580   3.588 -15.674
 1549   1HH2  ARG  54          1HH2      ARG  54  11.357   5.056 -17.128
 1550   2HH2  ARG  54          2HH2      ARG  54   9.941   4.093 -17.389
 1551    H    LYS  55           H        LYS  55  11.777   7.645 -13.647
 1552    HA   LYS  55           HA       LYS  55  12.568  10.454 -13.781
 1553   1HB   LYS  55          1HB       LYS  55  12.537   8.071 -15.649
 1554   2HB   LYS  55          2HB       LYS  55  13.072   9.660 -16.196
 1555   1HG   LYS  55          1HG       LYS  55  14.372   9.234 -13.732
 1556   2HG   LYS  55          2HG       LYS  55  14.501   7.707 -14.605
 1557   1HD   LYS  55          1HD       LYS  55  15.006  10.192 -16.167
 1558   2HD   LYS  55          2HD       LYS  55  16.234   9.732 -14.987
 1559   1HE   LYS  55          1HE       LYS  55  17.004   8.151 -16.416
 1560   2HE   LYS  55          2HE       LYS  55  15.409   7.374 -16.417
 1561   1HZ   LYS  55          1HZ       LYS  55  16.125   9.783 -18.013
 1562   2HZ   LYS  55          2HZ       LYS  55  14.653   8.937 -18.066
 1563   3HZ   LYS  55          3HZ       LYS  55  16.074   8.204 -18.637
 1564    H    ASN  56           H        ASN  56  10.412  11.391 -13.431
 1565    HA   ASN  56           HA       ASN  56   8.438  11.036 -15.621
 1566   1HB   ASN  56          1HB       ASN  56   8.452  13.498 -15.999
 1567   2HB   ASN  56          2HB       ASN  56   9.756  13.659 -14.823
 1568   1HD2  ASN  56          1HD2      ASN  56  11.789  13.737 -15.784
 1569   2HD2  ASN  56          2HD2      ASN  56  12.207  12.996 -17.252
 1570    H    MET  57           H        MET  57   8.811  10.758 -12.517
 1571    HA   MET  57           HA       MET  57   7.045  12.675 -11.284
 1572   1HB   MET  57          1HB       MET  57   5.044  11.204 -11.184
 1573   2HB   MET  57          2HB       MET  57   5.474  11.568 -12.854
 1574   1HG   MET  57          1HG       MET  57   6.977   9.309 -12.315
 1575   2HG   MET  57          2HG       MET  57   5.477   8.997 -11.442
 1576   1HE   MET  57          1HE       MET  57   2.815   9.728 -14.227
 1577   2HE   MET  57          2HE       MET  57   3.670  11.040 -13.416
 1578   3HE   MET  57          3HE       MET  57   3.150   9.626 -12.499
 1579    H    SER  58           H        SER  58   5.814  10.970  -9.398
 1580    HA   SER  58           HA       SER  58   8.052   9.374  -8.226
 1581   1HB   SER  58          1HB       SER  58   6.584  11.762  -7.093
 1582   2HB   SER  58          2HB       SER  58   7.333  10.578  -6.021
 1583    HG   SER  58           HG       SER  58   9.297  10.941  -7.167
 1584    H    ALA  59           H        ALA  59   7.178   7.381  -7.832
 1585    HA   ALA  59           HA       ALA  59   4.265   7.213  -7.161
 1586   1HB   ALA  59          1HB       ALA  59   5.026   4.687  -7.791
 1587   2HB   ALA  59          2HB       ALA  59   6.259   5.589  -8.671
 1588   3HB   ALA  59          3HB       ALA  59   4.551   5.865  -9.014
 1589    H    MET  60           H        MET  60   3.629   5.784  -5.438
 1590    HA   MET  60           HA       MET  60   5.658   5.532  -3.287
 1591   1HB   MET  60          1HB       MET  60   3.090   6.382  -3.336
 1592   2HB   MET  60          2HB       MET  60   2.810   4.674  -2.997
 1593   1HG   MET  60          1HG       MET  60   3.678   4.822  -0.899
 1594   2HG   MET  60          2HG       MET  60   4.971   5.908  -1.408
 1595   1HE   MET  60          1HE       MET  60   1.965   6.704   1.308
 1596   2HE   MET  60          2HE       MET  60   3.652   7.189   1.477
 1597   3HE   MET  60          3HE       MET  60   3.254   5.547   0.971
 1598    H    ALA  61           H        ALA  61   5.245   3.402  -1.909
 1599    HA   ALA  61           HA       ALA  61   5.710   1.124  -3.715
 1600   1HB   ALA  61          1HB       ALA  61   5.429   0.678  -0.807
 1601   2HB   ALA  61          2HB       ALA  61   6.594   1.935  -1.224
 1602   3HB   ALA  61          3HB       ALA  61   6.787   0.305  -1.868
 1603    H    LEU  62           H        LEU  62   4.480  -0.762  -1.721
 1604    HA   LEU  62           HA       LEU  62   1.941  -1.144  -2.952
 1605   1HB   LEU  62          1HB       LEU  62   0.997  -0.427  -0.384
 1606   2HB   LEU  62          2HB       LEU  62   2.079   0.878  -0.873
 1607    HG   LEU  62           HG       LEU  62   0.806   0.687  -3.168
 1608   1HD1  LEU  62          1HD1      LEU  62  -0.471  -1.337  -1.816
 1609   2HD1  LEU  62          2HD1      LEU  62  -1.126  -0.500  -3.224
 1610   3HD1  LEU  62          3HD1      LEU  62  -1.590   0.009  -1.600
 1611   1HD2  LEU  62          1HD2      LEU  62   0.773   2.584  -1.468
 1612   2HD2  LEU  62          2HD2      LEU  62  -0.678   1.841  -0.796
 1613   3HD2  LEU  62          3HD2      LEU  62  -0.679   2.430  -2.458
 1614    H    GLY  63           H        GLY  63   3.338  -3.184  -2.689
 1615   1HA   GLY  63          1HA       GLY  63   2.224  -4.799  -0.538
 1616   2HA   GLY  63          2HA       GLY  63   3.387  -5.348  -1.744
 1617    H    PHE  64           H        PHE  64   5.399  -5.763  -0.981
 1618    HA   PHE  64           HA       PHE  64   6.124  -4.867   1.750
 1619   1HB   PHE  64          1HB       PHE  64   7.340  -6.749  -0.305
 1620   2HB   PHE  64          2HB       PHE  64   8.024  -6.485   1.298
 1621    HD1  PHE  64           HD1      PHE  64   5.949  -6.460   3.175
 1622    HD2  PHE  64           HD2      PHE  64   6.142  -8.735  -0.463
 1623    HE1  PHE  64           HE1      PHE  64   4.361  -8.112   4.123
 1624    HE2  PHE  64           HE2      PHE  64   4.554 -10.387   0.486
 1625    HZ   PHE  64           HZ       PHE  64   3.664 -10.075   2.779
 1626    H    GLY  65           H        GLY  65   6.067  -2.877  -0.455
 1627   1HA   GLY  65          1HA       GLY  65   8.916  -2.375  -1.037
 1628   2HA   GLY  65          2HA       GLY  65   7.554  -1.470  -1.687
 1629    H    ALA  66           H        ALA  66   6.469  -1.320   1.190
 1630    HA   ALA  66           HA       ALA  66   7.895   1.187   1.832
 1631   1HB   ALA  66          1HB       ALA  66   5.483   1.208   1.764
 1632   2HB   ALA  66          2HB       ALA  66   5.937   1.336   3.464
 1633   3HB   ALA  66          3HB       ALA  66   5.384  -0.207   2.812
 1634    H    ILE  67           H        ILE  67   7.797  -2.085   3.013
 1635    HA   ILE  67           HA       ILE  67   8.821  -1.255   5.678
 1636    HB   ILE  67           HB       ILE  67   8.734  -3.839   6.013
 1637   1HG1  ILE  67          1HG1      ILE  67   7.280  -5.080   4.556
 1638   2HG1  ILE  67          2HG1      ILE  67   6.905  -3.647   3.607
 1639   1HG2  ILE  67          1HG2      ILE  67   7.131  -2.553   7.139
 1640   2HG2  ILE  67          2HG2      ILE  67   6.147  -3.649   6.168
 1641   3HG2  ILE  67          3HG2      ILE  67   6.396  -1.985   5.640
 1642   1HD1  ILE  67          1HD1      ILE  67   9.035  -3.602   2.612
 1643   2HD1  ILE  67          2HD1      ILE  67   8.685  -5.327   2.699
 1644   3HD1  ILE  67          3HD1      ILE  67   9.752  -4.584   3.889
 1645    H    PHE  68           H        PHE  68  10.180  -1.917   2.678
 1646    HA   PHE  68           HA       PHE  68  12.389  -3.586   3.234
 1647   1HB   PHE  68          1HB       PHE  68  11.784  -1.304   1.378
 1648   2HB   PHE  68          2HB       PHE  68  13.439  -1.905   1.449
 1649    HD1  PHE  68           HD1      PHE  68  10.774  -2.147  -0.557
 1650    HD2  PHE  68           HD2      PHE  68  13.181  -4.751   1.865
 1651    HE1  PHE  68           HE1      PHE  68  10.141  -4.068  -1.993
 1652    HE2  PHE  68           HE2      PHE  68  12.549  -6.672   0.430
 1653    HZ   PHE  68           HZ       PHE  68  11.029  -6.331  -1.499
 1654    H    ASN  69           H        ASN  69  14.496  -3.158   4.014
 1655    HA   ASN  69           HA       ASN  69  14.821  -0.566   5.496
 1656   1HB   ASN  69          1HB       ASN  69  15.952  -3.338   6.045
 1657   2HB   ASN  69          2HB       ASN  69  16.155  -1.922   7.076
 1658   1HD2  ASN  69          1HD2      ASN  69  14.967  -4.088   8.287
 1659   2HD2  ASN  69          2HD2      ASN  69  13.299  -3.833   8.478
 1660    H    HIS  70           H        HIS  70  17.523  -0.738   6.050
 1661    HA   HIS  70           HA       HIS  70  18.724  -0.635   3.310
 1662   1HB   HIS  70          1HB       HIS  70  18.739   1.437   4.669
 1663   2HB   HIS  70          2HB       HIS  70  19.562   0.581   5.974
 1664    HD1  HIS  70           HD1      HIS  70  20.104   1.711   2.396
 1665    HD2  HIS  70           HD2      HIS  70  22.333   0.318   5.632
 1666    HE1  HIS  70           HE1      HIS  70  22.540   1.972   1.753
 1667    H    SER  71           H        SER  71  20.771  -1.679   2.972
 1668    HA   SER  71           HA       SER  71  22.000  -3.245   5.132
 1669   1HB   SER  71          1HB       SER  71  20.447  -4.494   2.837
 1670   2HB   SER  71          2HB       SER  71  21.542  -5.403   3.879
 1671    HG   SER  71           HG       SER  71  19.878  -5.578   5.130
 1672    H    LYS  72           H        LYS  72  24.090  -4.013   4.514
 1673    HA   LYS  72           HA       LYS  72  25.292  -2.591   2.256
 1674   1HB   LYS  72          1HB       LYS  72  26.105  -3.321   4.724
 1675   2HB   LYS  72          2HB       LYS  72  26.737  -4.692   3.813
 1676   1HG   LYS  72          1HG       LYS  72  28.519  -3.320   3.440
 1677   2HG   LYS  72          2HG       LYS  72  27.480  -2.610   2.205
 1678   1HD   LYS  72          1HD       LYS  72  26.628  -1.314   4.477
 1679   2HD   LYS  72          2HD       LYS  72  28.354  -1.499   4.789
 1680   1HE   LYS  72          1HE       LYS  72  28.699   0.281   3.423
 1681   2HE   LYS  72          2HE       LYS  72  28.135  -0.722   2.073
 1682   1HZ   LYS  72          1HZ       LYS  72  25.866  -0.135   2.607
 1683   2HZ   LYS  72          2HZ       LYS  72  26.766   1.287   2.375
 1684   3HZ   LYS  72          3HZ       LYS  72  26.374   0.778   3.947
 1685    H    ASP  73           H        ASP  73  23.821  -5.671   2.640
 1686    HA   ASP  73           HA       ASP  73  25.082  -6.569   0.075
 1687   1HB   ASP  73          1HB       ASP  73  24.709  -7.990   2.718
 1688   2HB   ASP  73          2HB       ASP  73  24.880  -8.904   1.219
 1689    HA   PRO  74           HA       PRO  74  20.370  -6.623   0.130
 1690   1HB   PRO  74          1HB       PRO  74  20.801  -5.500  -2.586
 1691   2HB   PRO  74          2HB       PRO  74  19.709  -4.945  -1.305
 1692   1HG   PRO  74          1HG       PRO  74  21.949  -3.617  -1.973
 1693   2HG   PRO  74          2HG       PRO  74  21.314  -3.646  -0.322
 1694   1HD   PRO  74          1HD       PRO  74  23.638  -5.096  -1.483
 1695   2HD   PRO  74          2HD       PRO  74  23.406  -4.452   0.156
 1696    H    ASN  75           H        ASN  75  20.084  -8.830  -0.170
 1697    HA   ASN  75           HA       ASN  75  21.297 -10.252  -2.425
 1698   1HB   ASN  75          1HB       ASN  75  20.098 -12.164  -1.363
 1699   2HB   ASN  75          2HB       ASN  75  21.022 -11.238  -0.181
 1700   1HD2  ASN  75          1HD2      ASN  75  19.184 -12.487   1.174
 1701   2HD2  ASN  75          2HD2      ASN  75  17.777 -11.581   1.459
 1702    H    ALA  76           H        ALA  76  18.501  -8.351  -2.091
 1703    HA   ALA  76           HA       ALA  76  17.384  -9.525  -4.586
 1704   1HB   ALA  76          1HB       ALA  76  15.734  -8.941  -2.105
 1705   2HB   ALA  76          2HB       ALA  76  16.360 -10.545  -2.484
 1706   3HB   ALA  76          3HB       ALA  76  15.203  -9.772  -3.567
 1707    H    ARG  77           H        ARG  77  16.149  -7.998  -5.795
 1708    HA   ARG  77           HA       ARG  77  16.188  -5.191  -4.734
 1709   1HB   ARG  77          1HB       ARG  77  17.686  -6.261  -6.795
 1710   2HB   ARG  77          2HB       ARG  77  16.300  -5.593  -7.657
 1711   1HG   ARG  77          1HG       ARG  77  16.662  -3.443  -6.361
 1712   2HG   ARG  77          2HG       ARG  77  18.177  -4.134  -5.779
 1713   1HD   ARG  77          1HD       ARG  77  19.222  -3.753  -7.769
 1714   2HD   ARG  77          2HD       ARG  77  17.836  -4.354  -8.699
 1715    HE   ARG  77           HE       ARG  77  17.029  -2.131  -8.812
 1716   1HH1  ARG  77          1HH1      ARG  77  19.403  -2.460  -6.287
 1717   2HH1  ARG  77          2HH1      ARG  77  19.433  -0.766  -5.943
 1718   1HH2  ARG  77          1HH2      ARG  77  17.086   0.065  -8.347
 1719   2HH2  ARG  77          2HH2      ARG  77  18.132   0.655  -7.099
 1720    H    HIS  78           H        HIS  78  14.771  -4.079  -6.931
 1721    HA   HIS  78           HA       HIS  78  12.167  -5.558  -6.853
 1722   1HB   HIS  78          1HB       HIS  78  11.115  -3.302  -6.524
 1723   2HB   HIS  78          2HB       HIS  78  12.166  -3.768  -5.188
 1724    HD1  HIS  78           HD1      HIS  78  13.364  -1.717  -4.440
 1725    HD2  HIS  78           HD2      HIS  78  13.130  -1.918  -8.598
 1726    HE1  HIS  78           HE1      HIS  78  14.663   0.268  -5.326
 1727    H    GLU  79           H        GLU  79  10.643  -4.726  -8.585
 1728    HA   GLU  79           HA       GLU  79  12.034  -3.513 -10.929
 1729   1HB   GLU  79          1HB       GLU  79  12.281  -5.954 -11.091
 1730   2HB   GLU  79          2HB       GLU  79  10.550  -6.167 -10.837
 1731   1HG   GLU  79          1HG       GLU  79  10.956  -6.331 -13.210
 1732   2HG   GLU  79          2HG       GLU  79  10.165  -4.783 -12.916
 1733    H    LEU  80           H        LEU  80  10.633  -2.267 -12.189
 1734    HA   LEU  80           HA       LEU  80   7.809  -2.074 -11.225
 1735   1HB   LEU  80          1HB       LEU  80   9.646  -0.215 -12.779
 1736   2HB   LEU  80          2HB       LEU  80   7.975   0.170 -12.368
 1737    HG   LEU  80           HG       LEU  80  10.154  -0.492 -10.363
 1738   1HD1  LEU  80          1HD1      LEU  80   9.143   2.119  -9.999
 1739   2HD1  LEU  80          2HD1      LEU  80   9.454   1.959 -11.728
 1740   3HD1  LEU  80          3HD1      LEU  80  10.751   1.671 -10.568
 1741   1HD2  LEU  80          1HD2      LEU  80   8.265   0.620  -8.879
 1742   2HD2  LEU  80          2HD2      LEU  80   8.184  -1.095  -9.284
 1743   3HD2  LEU  80          3HD2      LEU  80   7.214   0.071 -10.185
 1744    H    THR  81           H        THR  81   6.095  -2.228 -12.732
 1745    HA   THR  81           HA       THR  81   6.484  -3.886 -15.038
 1746    HB   THR  81           HB       THR  81   4.055  -2.929 -15.450
 1747    HG1  THR  81           HG1      THR  81   3.252  -1.795 -13.777
 1748   1HG2  THR  81          1HG2      THR  81   4.397  -4.242 -12.773
 1749   2HG2  THR  81          2HG2      THR  81   4.928  -5.099 -14.221
 1750   3HG2  THR  81          3HG2      THR  81   3.242  -4.607 -14.055
 1751    H    ALA  82           H        ALA  82   5.352  -0.475 -14.973
 1752    HA   ALA  82           HA       ALA  82   7.190   0.336 -17.076
 1753   1HB   ALA  82          1HB       ALA  82   5.791   0.157 -18.925
 1754   2HB   ALA  82          2HB       ALA  82   4.326   0.321 -17.957
 1755   3HB   ALA  82          3HB       ALA  82   5.197  -1.212 -17.985
 1756    H    GLY  83           H        GLY  83   4.008   0.980 -15.570
 1757   1HA   GLY  83          1HA       GLY  83   4.729   3.884 -15.576
 1758   2HA   GLY  83          2HA       GLY  83   3.069   3.295 -15.660
 1759    H    LEU  84           H        LEU  84   5.684   2.126 -13.546
 1760    HA   LEU  84           HA       LEU  84   5.741   1.933 -11.189
 1761   1HB   LEU  84          1HB       LEU  84   4.272   4.570 -11.580
 1762   2HB   LEU  84          2HB       LEU  84   5.054   4.064 -10.083
 1763    HG   LEU  84           HG       LEU  84   6.581   4.169 -12.684
 1764   1HD1  LEU  84          1HD1      LEU  84   5.401   6.396 -11.397
 1765   2HD1  LEU  84          2HD1      LEU  84   6.630   6.421 -12.662
 1766   3HD1  LEU  84          3HD1      LEU  84   7.111   6.427 -10.965
 1767   1HD2  LEU  84          1HD2      LEU  84   8.464   3.976 -11.340
 1768   2HD2  LEU  84          2HD2      LEU  84   7.300   3.058 -10.384
 1769   3HD2  LEU  84          3HD2      LEU  84   7.676   4.725  -9.951
 1770    H    LYS  85           H        LYS  85   3.672   0.412 -12.285
 1771    HA   LYS  85           HA       LYS  85   1.316   0.995 -10.530
 1772   1HB   LYS  85          1HB       LYS  85   1.689  -0.586 -13.097
 1773   2HB   LYS  85          2HB       LYS  85   0.169  -0.519 -12.206
 1774   1HG   LYS  85          1HG       LYS  85   0.057   1.897 -12.488
 1775   2HG   LYS  85          2HG       LYS  85   1.648   1.915 -13.248
 1776   1HD   LYS  85          1HD       LYS  85   0.851   0.753 -15.171
 1777   2HD   LYS  85          2HD       LYS  85  -0.654   0.307 -14.368
 1778   1HE   LYS  85          1HE       LYS  85  -1.633   2.276 -14.948
 1779   2HE   LYS  85          2HE       LYS  85  -0.228   3.209 -14.398
 1780   1HZ   LYS  85          1HZ       LYS  85   0.922   2.268 -16.444
 1781   2HZ   LYS  85          2HZ       LYS  85  -0.248   3.468 -16.720
 1782   3HZ   LYS  85          3HZ       LYS  85  -0.624   1.834 -16.995
 1783    H    ARG  86           H        ARG  86   2.430  -2.047 -12.027
 1784    HA   ARG  86           HA       ARG  86   1.963  -3.451  -9.473
 1785   1HB   ARG  86          1HB       ARG  86   2.351  -4.071 -12.357
 1786   2HB   ARG  86          2HB       ARG  86   2.897  -5.311 -11.228
 1787   1HG   ARG  86          1HG       ARG  86   0.735  -5.982 -11.162
 1788   2HG   ARG  86          2HG       ARG  86   0.448  -4.547 -10.179
 1789   1HD   ARG  86          1HD       ARG  86  -1.078  -4.104 -11.861
 1790   2HD   ARG  86          2HD       ARG  86   0.358  -3.432 -12.656
 1791    HE   ARG  86           HE       ARG  86   0.329  -5.288 -14.121
 1792   1HH1  ARG  86          1HH1      ARG  86  -1.522  -5.957 -11.249
 1793   2HH1  ARG  86          2HH1      ARG  86  -2.082  -7.485 -11.833
 1794   1HH2  ARG  86          1HH2      ARG  86  -0.411  -7.277 -14.856
 1795   2HH2  ARG  86          2HH2      ARG  86  -1.459  -8.229 -13.859
 1796    H    MET  87           H        MET  87   3.588  -3.858  -8.039
 1797    HA   MET  87           HA       MET  87   6.403  -3.361  -8.886
 1798   1HB   MET  87          1HB       MET  87   4.797  -2.692  -6.674
 1799   2HB   MET  87          2HB       MET  87   5.909  -3.918  -6.066
 1800   1HG   MET  87          1HG       MET  87   6.850  -1.558  -7.706
 1801   2HG   MET  87          2HG       MET  87   6.728  -1.493  -5.947
 1802   1HE   MET  87          1HE       MET  87   8.867  -0.625  -6.601
 1803   2HE   MET  87          2HE       MET  87  10.263  -1.508  -7.218
 1804   3HE   MET  87          3HE       MET  87   9.925  -1.490  -5.487
 1805    H    ARG  88           H        ARG  88   7.553  -5.175  -9.440
 1806    HA   ARG  88           HA       ARG  88   6.843  -7.765  -8.106
 1807   1HB   ARG  88          1HB       ARG  88   8.327  -7.215 -10.703
 1808   2HB   ARG  88          2HB       ARG  88   7.774  -8.787 -10.131
 1809   1HG   ARG  88          1HG       ARG  88   5.435  -8.010 -10.235
 1810   2HG   ARG  88          2HG       ARG  88   5.983  -6.432 -10.801
 1811   1HD   ARG  88          1HD       ARG  88   5.620  -7.387 -12.871
 1812   2HD   ARG  88          2HD       ARG  88   7.240  -8.057 -12.598
 1813    HE   ARG  88           HE       ARG  88   5.106  -9.638 -11.370
 1814   1HH1  ARG  88          1HH1      ARG  88   6.959  -9.045 -14.256
 1815   2HH1  ARG  88          2HH1      ARG  88   6.693 -10.633 -14.886
 1816   1HH2  ARG  88          1HH2      ARG  88   4.774 -11.694 -12.208
 1817   2HH2  ARG  88          2HH2      ARG  88   5.466 -12.123 -13.737
 1818    H    ILE  89           H        ILE  89   8.274  -8.191  -6.465
 1819    HA   ILE  89           HA       ILE  89  11.011  -7.081  -6.548
 1820    HB   ILE  89           HB       ILE  89   9.479  -8.768  -4.534
 1821   1HG1  ILE  89          1HG1      ILE  89  10.189  -5.867  -4.210
 1822   2HG1  ILE  89          2HG1      ILE  89   8.783  -6.309  -5.178
 1823   1HG2  ILE  89          1HG2      ILE  89  11.418  -8.969  -3.410
 1824   2HG2  ILE  89          2HG2      ILE  89  11.582  -7.213  -3.377
 1825   3HG2  ILE  89          3HG2      ILE  89  12.261  -8.138  -4.717
 1826   1HD1  ILE  89          1HD1      ILE  89   9.224  -7.379  -2.383
 1827   2HD1  ILE  89          2HD1      ILE  89   7.738  -7.409  -3.334
 1828   3HD1  ILE  89          3HD1      ILE  89   8.345  -5.882  -2.692
 1829    H    PHE  90           H        PHE  90  12.846  -8.319  -6.921
 1830    HA   PHE  90           HA       PHE  90  12.450 -11.267  -7.325
 1831   1HB   PHE  90          1HB       PHE  90  13.634  -9.098  -9.024
 1832   2HB   PHE  90          2HB       PHE  90  14.371 -10.698  -9.108
 1833    HD1  PHE  90           HD1      PHE  90  12.996 -12.677  -9.772
 1834    HD2  PHE  90           HD2      PHE  90  11.464  -8.667  -9.953
 1835    HE1  PHE  90           HE1      PHE  90  11.157 -13.446 -11.247
 1836    HE2  PHE  90           HE2      PHE  90   9.625  -9.436 -11.428
 1837    HZ   PHE  90           HZ       PHE  90   9.471 -11.826 -12.075
 1838    H    THR  91           H        THR  91  14.802 -12.300  -7.480
 1839    HA   THR  91           HA       THR  91  16.415 -11.168  -5.217
 1840    HB   THR  91           HB       THR  91  17.114 -13.715  -5.176
 1841    HG1  THR  91           HG1      THR  91  15.890 -15.006  -6.306
 1842   1HG2  THR  91          1HG2      THR  91  14.277 -13.025  -4.390
 1843   2HG2  THR  91          2HG2      THR  91  15.676 -12.402  -3.517
 1844   3HG2  THR  91          3HG2      THR  91  15.383 -14.140  -3.588
 1845    H    ILE  92           H        ILE  92  17.906  -9.962  -6.482
 1846    HA   ILE  92           HA       ILE  92  19.116 -10.633  -8.911
 1847    HB   ILE  92           HB       ILE  92  20.969  -9.176  -8.053
 1848   1HG1  ILE  92          1HG1      ILE  92  19.457  -9.448  -5.436
 1849   2HG1  ILE  92          2HG1      ILE  92  21.066 -10.086  -5.769
 1850   1HG2  ILE  92          1HG2      ILE  92  18.692  -8.303  -8.818
 1851   2HG2  ILE  92          2HG2      ILE  92  19.618  -7.221  -7.778
 1852   3HG2  ILE  92          3HG2      ILE  92  18.281  -8.156  -7.110
 1853   1HD1  ILE  92          1HD1      ILE  92  21.736  -8.102  -4.852
 1854   2HD1  ILE  92          2HD1      ILE  92  20.211  -7.298  -5.223
 1855   3HD1  ILE  92          3HD1      ILE  92  21.432  -7.495  -6.480
 1856    H    LYS  93           H        LYS  93  19.957 -11.789  -5.653
 1857    HA   LYS  93           HA       LYS  93  21.783 -13.782  -6.952
 1858   1HB   LYS  93          1HB       LYS  93  23.209 -13.484  -4.891
 1859   2HB   LYS  93          2HB       LYS  93  23.096 -12.029  -5.881
 1860   1HG   LYS  93          1HG       LYS  93  22.179 -10.884  -4.174
 1861   2HG   LYS  93          2HG       LYS  93  20.916 -12.100  -3.986
 1862   1HD   LYS  93          1HD       LYS  93  21.917 -12.491  -1.976
 1863   2HD   LYS  93          2HD       LYS  93  23.075 -13.411  -2.935
 1864   1HE   LYS  93          1HE       LYS  93  24.661 -11.664  -2.920
 1865   2HE   LYS  93          2HE       LYS  93  23.442 -10.440  -2.519
 1866   1HZ   LYS  93          1HZ       LYS  93  23.153 -11.391  -0.370
 1867   2HZ   LYS  93          2HZ       LYS  93  24.826 -11.198  -0.591
 1868   3HZ   LYS  93          3HZ       LYS  93  24.120 -12.734  -0.754
 1869    HA   PRO  94           HA       PRO  94  19.479 -16.953  -5.002
 1870   1HB   PRO  94          1HB       PRO  94  22.108 -17.999  -4.017
 1871   2HB   PRO  94          2HB       PRO  94  20.835 -18.836  -4.926
 1872   1HG   PRO  94          1HG       PRO  94  23.101 -18.029  -6.093
 1873   2HG   PRO  94          2HG       PRO  94  21.550 -18.005  -6.944
 1874   1HD   PRO  94          1HD       PRO  94  23.141 -15.753  -5.849
 1875   2HD   PRO  94          2HD       PRO  94  22.028 -15.790  -7.233
 1876    H    ILE  95           H        ILE  95  18.451 -16.945  -3.048
 1877    HA   ILE  95           HA       ILE  95  19.904 -15.793  -0.692
 1878    HB   ILE  95           HB       ILE  95  17.061 -15.727  -1.716
 1879   1HG1  ILE  95          1HG1      ILE  95  18.908 -13.553  -0.709
 1880   2HG1  ILE  95          2HG1      ILE  95  18.740 -14.007  -2.405
 1881   1HG2  ILE  95          1HG2      ILE  95  17.919 -15.728   1.087
 1882   2HG2  ILE  95          2HG2      ILE  95  16.298 -15.877   0.410
 1883   3HG2  ILE  95          3HG2      ILE  95  17.011 -14.282   0.646
 1884   1HD1  ILE  95          1HD1      ILE  95  16.797 -12.610  -0.609
 1885   2HD1  ILE  95          2HD1      ILE  95  16.154 -13.661  -1.871
 1886   3HD1  ILE  95          3HD1      ILE  95  17.185 -12.296  -2.300
 1887    H    ALA  96           H        ALA  96  19.782 -16.932   1.277
 1888    HA   ALA  96           HA       ALA  96  18.940 -19.775   1.056
 1889   1HB   ALA  96          1HB       ALA  96  20.651 -18.135   2.948
 1890   2HB   ALA  96          2HB       ALA  96  21.190 -19.363   1.803
 1891   3HB   ALA  96          3HB       ALA  96  20.285 -19.835   3.241
 1892    H    ILE  97           H        ILE  97  17.909 -20.733   3.058
 1893    HA   ILE  97           HA       ILE  97  15.492 -19.358   3.771
 1894    HB   ILE  97           HB       ILE  97  16.974 -21.732   4.957
 1895   1HG1  ILE  97          1HG1      ILE  97  14.514 -21.866   3.241
 1896   2HG1  ILE  97          2HG1      ILE  97  16.085 -21.627   2.477
 1897   1HG2  ILE  97          1HG2      ILE  97  15.387 -21.825   6.551
 1898   2HG2  ILE  97          2HG2      ILE  97  14.136 -21.865   5.308
 1899   3HG2  ILE  97          3HG2      ILE  97  14.697 -20.319   5.946
 1900   1HD1  ILE  97          1HD1      ILE  97  16.668 -23.643   4.221
 1901   2HD1  ILE  97          2HD1      ILE  97  16.188 -23.905   2.544
 1902   3HD1  ILE  97          3HD1      ILE  97  14.989 -24.018   3.832
 1903    H    GLY  98           H        GLY  98  15.633 -17.475   4.961
 1904   1HA   GLY  98          1HA       GLY  98  15.718 -16.656   7.299
 1905   2HA   GLY  98          2HA       GLY  98  17.184 -17.614   7.513
 1906    H    GLU  99           H        GLU  99  16.429 -15.607   4.694
 1907    HA   GLU  99           HA       GLU  99  18.918 -14.053   5.240
 1908   1HB   GLU  99          1HB       GLU  99  17.365 -15.005   2.900
 1909   2HB   GLU  99          2HB       GLU  99  18.046 -13.388   2.720
 1910   1HG   GLU  99          1HG       GLU  99  19.591 -15.880   3.502
 1911   2HG   GLU  99          2HG       GLU  99  19.632 -15.100   1.921
 1912    H    GLU 100           H        GLU 100  18.840 -11.696   4.992
 1913    HA   GLU 100           HA       GLU 100  16.192 -10.576   5.786
 1914   1HB   GLU 100          1HB       GLU 100  18.779 -10.299   6.742
 1915   2HB   GLU 100          2HB       GLU 100  18.575  -8.839   5.773
 1916   1HG   GLU 100          1HG       GLU 100  16.517  -9.745   7.800
 1917   2HG   GLU 100          2HG       GLU 100  17.846  -8.665   8.219
 1918    H    ILE 101           H        ILE 101  15.034  -9.915   4.008
 1919    HA   ILE 101           HA       ILE 101  16.420  -8.831   1.628
 1920    HB   ILE 101           HB       ILE 101  13.468  -9.211   2.258
 1921   1HG1  ILE 101          1HG1      ILE 101  15.321 -11.074   0.747
 1922   2HG1  ILE 101          2HG1      ILE 101  14.872 -11.305   2.437
 1923   1HG2  ILE 101          1HG2      ILE 101  14.643  -7.842   0.177
 1924   2HG2  ILE 101          2HG2      ILE 101  13.046  -8.586   0.115
 1925   3HG2  ILE 101          3HG2      ILE 101  14.448  -9.456  -0.507
 1926   1HD1  ILE 101          1HD1      ILE 101  12.638 -10.846   0.527
 1927   2HD1  ILE 101          2HD1      ILE 101  12.722 -11.923   1.921
 1928   3HD1  ILE 101          3HD1      ILE 101  13.475 -12.393   0.397
 1929    H    THR 102           H        THR 102  16.879  -6.676   1.574
 1930    HA   THR 102           HA       THR 102  14.926  -4.762   2.795
 1931    HB   THR 102           HB       THR 102  16.781  -3.648   3.916
 1932    HG1  THR 102           HG1      THR 102  18.410  -3.892   2.474
 1933   1HG2  THR 102          1HG2      THR 102  15.872  -5.563   5.136
 1934   2HG2  THR 102          2HG2      THR 102  17.615  -5.472   5.393
 1935   3HG2  THR 102          3HG2      THR 102  16.952  -6.655   4.268
 1936    H    ILE 103           H        ILE 103  16.590  -5.610   0.033
 1937    HA   ILE 103           HA       ILE 103  17.467  -4.445  -1.831
 1938    HB   ILE 103           HB       ILE 103  15.710  -3.044  -2.770
 1939   1HG1  ILE 103          1HG1      ILE 103  14.422  -3.045  -0.030
 1940   2HG1  ILE 103          2HG1      ILE 103  15.355  -1.692  -0.669
 1941   1HG2  ILE 103          1HG2      ILE 103  15.384  -5.578  -2.344
 1942   2HG2  ILE 103          2HG2      ILE 103  13.958  -4.622  -2.745
 1943   3HG2  ILE 103          3HG2      ILE 103  14.272  -5.077  -1.071
 1944   1HD1  ILE 103          1HD1      ILE 103  13.823  -1.452  -2.530
 1945   2HD1  ILE 103          2HD1      ILE 103  12.875  -1.491  -1.043
 1946   3HD1  ILE 103          3HD1      ILE 103  12.969  -2.924  -2.067
 1947    H    SER 104           H        SER 104  16.831  -1.514  -2.274
 1948    HA   SER 104           HA       SER 104  18.278  -0.123  -0.128
 1949   1HB   SER 104          1HB       SER 104  20.007  -1.359  -1.478
 1950   2HB   SER 104          2HB       SER 104  19.494  -0.447  -2.898
 1951    HG   SER 104           HG       SER 104  21.249   0.569  -1.922
 1952    H    TYR 105           H        TYR 105  19.039   2.157  -1.406
 1953    HA   TYR 105           HA       TYR 105  16.540   3.091  -2.783
 1954   1HB   TYR 105          1HB       TYR 105  18.335   4.761  -0.994
 1955   2HB   TYR 105          2HB       TYR 105  16.688   5.114  -1.501
 1956    HD1  TYR 105           HD1      TYR 105  18.443   4.345   1.285
 1957    HD2  TYR 105           HD2      TYR 105  15.134   2.786  -0.968
 1958    HE1  TYR 105           HE1      TYR 105  17.590   3.218   3.321
 1959    HE2  TYR 105           HE2      TYR 105  14.280   1.658   1.071
 1960    HH   TYR 105           HH       TYR 105  14.454   1.848   3.486
 1961    H    GLY 106           H        GLY 106  19.824   4.402  -2.153
 1962   1HA   GLY 106          1HA       GLY 106  21.503   4.938  -3.749
 1963   2HA   GLY 106          2HA       GLY 106  20.413   4.413  -5.031
 1964    H    ASP 107           H        ASP 107  21.061   6.436  -6.127
 1965    HA   ASP 107           HA       ASP 107  20.664   8.665  -6.768
 1966   1HB   ASP 107          1HB       ASP 107  18.387   7.810  -6.856
 1967   2HB   ASP 107          2HB       ASP 107  18.200   8.005  -5.115
 1968    H    ASP 108           H        ASP 108  18.937   9.119  -3.710
 1969    HA   ASP 108           HA       ASP 108  21.285  10.401  -2.454
 1970   1HB   ASP 108          1HB       ASP 108  19.764  11.869  -4.167
 1971   2HB   ASP 108          2HB       ASP 108  18.865  12.123  -2.671
 1972    H    TYR 109           H        TYR 109  19.194   8.218  -1.914
 1973    HA   TYR 109           HA       TYR 109  17.884   9.338   0.519
 1974   1HB   TYR 109          1HB       TYR 109  17.106   7.621  -1.549
 1975   2HB   TYR 109          2HB       TYR 109  17.395   6.536  -0.189
 1976    HD1  TYR 109           HD1      TYR 109  15.935   9.965  -0.686
 1977    HD2  TYR 109           HD2      TYR 109  15.520   6.082   1.102
 1978    HE1  TYR 109           HE1      TYR 109  13.781  10.661   0.327
 1979    HE2  TYR 109           HE2      TYR 109  13.367   6.777   2.115
 1980    HH   TYR 109           HH       TYR 109  11.530   8.881   1.259
 1981    H    TRP 110           H        TRP 110  19.276   9.221   2.244
 1982    HA   TRP 110           HA       TRP 110  20.712   8.308   3.862
 1983   1HB   TRP 110          1HB       TRP 110  18.965   6.702   4.168
 1984   2HB   TRP 110          2HB       TRP 110  19.347   5.879   2.662
 1985    HD1  TRP 110           HD1      TRP 110  21.336   4.185   2.631
 1986    HE1  TRP 110           HE1      TRP 110  22.717   3.066   4.507
 1987    HE3  TRP 110           HE3      TRP 110  19.973   7.097   6.599
 1988    HZ2  TRP 110           HZ2      TRP 110  23.178   3.366   7.311
 1989    HZ3  TRP 110           HZ3      TRP 110  20.896   6.660   8.857
 1990    HH2  TRP 110           HH2      TRP 110  22.495   4.800   9.218
 1991    H    LEU 111           H        LEU 111  21.068   5.692   1.466
 1992    HA   LEU 111           HA       LEU 111  23.915   5.609   1.672
 1993   1HB   LEU 111          1HB       LEU 111  22.298   3.833   0.868
 1994   2HB   LEU 111          2HB       LEU 111  22.137   4.743  -0.634
 1995    HG   LEU 111           HG       LEU 111  24.861   3.967   0.389
 1996   1HD1  LEU 111          1HD1      LEU 111  22.770   2.225  -0.829
 1997   2HD1  LEU 111          2HD1      LEU 111  24.075   1.805   0.280
 1998   3HD1  LEU 111          3HD1      LEU 111  24.416   2.044  -1.434
 1999   1HD2  LEU 111          1HD2      LEU 111  25.221   5.304  -1.437
 2000   2HD2  LEU 111          2HD2      LEU 111  23.622   4.990  -2.110
 2001   3HD2  LEU 111          3HD2      LEU 111  24.913   3.806  -2.315
 2002    H    SER 112           H        SER 112  21.859   6.910  -0.969
 2003    HA   SER 112           HA       SER 112  22.357   8.482  -2.653
 2004   1HB   SER 112          1HB       SER 112  22.508  10.042  -0.872
 2005   2HB   SER 112          2HB       SER 112  23.999   9.330  -0.260
 2006    HG   SER 112           HG       SER 112  23.587  11.067  -2.396
 2007    H    ARG 113           H        ARG 113  25.651   8.661  -1.378
 2008    HA   ARG 113           HA       ARG 113  26.662   7.618  -3.961
 2009   1HB   ARG 113          1HB       ARG 113  27.762   9.122  -1.584
 2010   2HB   ARG 113          2HB       ARG 113  28.854   8.410  -2.771
 2011   1HG   ARG 113          1HG       ARG 113  26.578  10.015  -3.830
 2012   2HG   ARG 113          2HG       ARG 113  27.878  10.904  -3.035
 2013   1HD   ARG 113          1HD       ARG 113  29.058   8.920  -4.748
 2014   2HD   ARG 113          2HD       ARG 113  27.875   9.854  -5.683
 2015    HE   ARG 113           HE       ARG 113  30.348  10.892  -4.550
 2016   1HH1  ARG 113          1HH1      ARG 113  27.051  11.658  -5.364
 2017   2HH1  ARG 113          2HH1      ARG 113  27.372  13.348  -5.540
 2018   1HH2  ARG 113          1HH2      ARG 113  30.740  13.089  -4.783
 2019   2HH2  ARG 113          2HH2      ARG 113  29.444  14.155  -5.214
 2020    HA   PRO 114           HA       PRO 114  27.273   3.645  -2.051
 2021   1HB   PRO 114          1HB       PRO 114  29.101   2.673  -3.916
 2022   2HB   PRO 114          2HB       PRO 114  27.340   2.616  -4.107
 2023   1HG   PRO 114          1HG       PRO 114  29.318   4.503  -5.268
 2024   2HG   PRO 114          2HG       PRO 114  27.829   3.856  -5.968
 2025   1HD   PRO 114          1HD       PRO 114  28.037   6.379  -4.984
 2026   2HD   PRO 114          2HD       PRO 114  26.518   5.458  -4.977
 2027    H    ARG 115           H        ARG 115  30.430   4.094  -3.600
 2028    HA   ARG 115           HA       ARG 115  32.588   4.104  -2.635
 2029   1HB   ARG 115          1HB       ARG 115  30.873   6.190  -1.566
 2030   2HB   ARG 115          2HB       ARG 115  32.084   5.725  -0.372
 2031   1HG   ARG 115          1HG       ARG 115  33.478   7.103  -1.513
 2032   2HG   ARG 115          2HG       ARG 115  33.555   5.807  -2.707
 2033   1HD   ARG 115          1HD       ARG 115  32.744   7.362  -4.171
 2034   2HD   ARG 115          2HD       ARG 115  31.187   7.124  -3.354
 2035    HE   ARG 115           HE       ARG 115  31.513   9.208  -2.284
 2036   1HH1  ARG 115          1HH1      ARG 115  34.532   7.957  -3.486
 2037   2HH1  ARG 115          2HH1      ARG 115  35.419   9.377  -3.054
 2038   1HH2  ARG 115          1HH2      ARG 115  32.687  11.040  -1.733
 2039   2HH2  ARG 115          2HH2      ARG 115  34.384  11.111  -2.069
 2040    H    LEU 116           H        LEU 116  31.665   1.729  -1.971
 2041    HA   LEU 116           HA       LEU 116  31.324   1.365   0.924
 2042   1HB   LEU 116          1HB       LEU 116  31.022  -0.108  -1.575
 2043   2HB   LEU 116          2HB       LEU 116  31.821  -1.094  -0.350
 2044    HG   LEU 116           HG       LEU 116  30.000  -0.553   1.248
 2045   1HD1  LEU 116          1HD1      LEU 116  27.965   0.568   0.379
 2046   2HD1  LEU 116          2HD1      LEU 116  28.789   0.852  -1.154
 2047   3HD1  LEU 116          3HD1      LEU 116  29.369   1.633   0.318
 2048   1HD2  LEU 116          1HD2      LEU 116  29.657  -2.595   0.102
 2049   2HD2  LEU 116          2HD2      LEU 116  29.317  -1.780  -1.424
 2050   3HD2  LEU 116          3HD2      LEU 116  28.136  -1.728  -0.115
 2051    H    THR 117           H        THR 117  33.454   2.353   1.528
 2052    HA   THR 117           HA       THR 117  35.580   0.282   1.551
 2053    HB   THR 117           HB       THR 117  35.832   3.096   0.426
 2054    HG1  THR 117           HG1      THR 117  36.559   1.831  -1.403
 2055   1HG2  THR 117          1HG2      THR 117  37.818   2.601   1.741
 2056   2HG2  THR 117          2HG2      THR 117  38.223   2.453   0.030
 2057   3HG2  THR 117          3HG2      THR 117  37.953   1.005   1.000
 2058    H    GLN 118           H        GLN 118  35.376   3.785   2.281
 2059    HA   GLN 118           HA       GLN 118  35.840   4.952   4.279
 2060   1HB   GLN 118          1HB       GLN 118  34.009   2.863   4.724
 2061   2HB   GLN 118          2HB       GLN 118  35.162   2.737   6.053
 2062   1HG   GLN 118          1HG       GLN 118  34.520   4.728   6.967
 2063   2HG   GLN 118          2HG       GLN 118  34.291   5.488   5.392
 2064   1HE2  GLN 118          1HE2      GLN 118  32.686   3.692   7.952
 2065   2HE2  GLN 118          2HE2      GLN 118  31.129   3.753   7.279
 2066    H    ASN 119           H        ASN 119  38.166   4.063   3.273
 2067    HA   ASN 119           HA       ASN 119  39.834   3.640   5.589
 2068   1HB   ASN 119          1HB       ASN 119  38.565   1.382   4.879
 2069   2HB   ASN 119          2HB       ASN 119  39.910   1.284   3.742
 2070   1HD2  ASN 119          1HD2      ASN 119  42.157   1.823   4.913
 2071   2HD2  ASN 119          2HD2      ASN 119  42.377   1.072   6.419
 2072   1H    GLY 201          1H        GLY 201  18.649  33.276  19.844
 2073   2H    GLY 201          2H        GLY 201  18.048  33.381  18.259
 2074   3H    GLY 201          3H        GLY 201  19.615  33.934  18.611
 2075   1HA   GLY 201          1HA       GLY 201  19.929  31.468  19.420
 2076   2HA   GLY 201          2HA       GLY 201  18.636  31.203  18.250
 2077    H    LYS 202           H        LYS 202  20.431  29.993  17.108
 2078    HA   LYS 202           HA       LYS 202  22.157  31.880  15.536
 2079   1HB   LYS 202          1HB       LYS 202  22.529  29.136  16.716
 2080   2HB   LYS 202          2HB       LYS 202  23.461  29.584  15.287
 2081   1HG   LYS 202          1HG       LYS 202  24.918  30.491  16.780
 2082   2HG   LYS 202          2HG       LYS 202  23.755  31.814  16.864
 2083   1HD   LYS 202          1HD       LYS 202  23.012  31.201  18.934
 2084   2HD   LYS 202          2HD       LYS 202  23.134  29.478  18.575
 2085   1HE   LYS 202          1HE       LYS 202  25.754  30.809  18.668
 2086   2HE   LYS 202          2HE       LYS 202  24.879  30.871  20.210
 2087   1HZ   LYS 202          1HZ       LYS 202  25.178  28.424  18.545
 2088   2HZ   LYS 202          2HZ       LYS 202  24.496  28.521  20.097
 2089   3HZ   LYS 202          3HZ       LYS 202  26.161  28.783  19.883
 2090    H    ALA 203           H        ALA 203  20.759  28.582  15.263
 2091    HA   ALA 203           HA       ALA 203  20.166  29.198  12.386
 2092   1HB   ALA 203          1HB       ALA 203  21.879  27.466  12.787
 2093   2HB   ALA 203          2HB       ALA 203  20.429  26.730  12.104
 2094   3HB   ALA 203          3HB       ALA 203  20.761  26.587  13.831
 2095    HA   PRO 204           HA       PRO 204  16.074  28.756  14.430
 2096   1HB   PRO 204          1HB       PRO 204  14.770  30.173  12.422
 2097   2HB   PRO 204          2HB       PRO 204  15.448  30.907  13.886
 2098   1HG   PRO 204          1HG       PRO 204  16.556  30.787  11.130
 2099   2HG   PRO 204          2HG       PRO 204  16.656  32.081  12.332
 2100   1HD   PRO 204          1HD       PRO 204  18.717  30.401  11.782
 2101   2HD   PRO 204          2HD       PRO 204  18.468  31.136  13.380
 2102    H    ARG 205           H        ARG 205  16.284  28.845  10.846
 2103    HA   ARG 205           HA       ARG 205  15.676  26.004  10.601
 2104   1HB   ARG 205          1HB       ARG 205  13.404  26.401   9.626
 2105   2HB   ARG 205          2HB       ARG 205  13.497  26.905  11.314
 2106   1HG   ARG 205          1HG       ARG 205  14.320  29.147   9.832
 2107   2HG   ARG 205          2HG       ARG 205  12.931  28.502   8.958
 2108   1HD   ARG 205          1HD       ARG 205  12.049  28.316  11.549
 2109   2HD   ARG 205          2HD       ARG 205  13.038  29.788  11.617
 2110    HE   ARG 205           HE       ARG 205  11.482  29.830   9.218
 2111   1HH1  ARG 205          1HH1      ARG 205  11.128  30.073  12.672
 2112   2HH1  ARG 205          2HH1      ARG 205   9.717  31.068  12.568
 2113   1HH2  ARG 205          1HH2      ARG 205   9.650  31.122   9.108
 2114   2HH2  ARG 205          2HH2      ARG 205   8.884  31.658  10.566
 2115    H    LYS 206           H        LYS 206  17.079  25.666   8.906
 2116    HA   LYS 206           HA       LYS 206  16.546  27.037   6.346
 2117   1HB   LYS 206          1HB       LYS 206  18.919  27.811   6.210
 2118   2HB   LYS 206          2HB       LYS 206  18.065  28.553   7.563
 2119   1HG   LYS 206          1HG       LYS 206  19.100  26.148   8.582
 2120   2HG   LYS 206          2HG       LYS 206  20.398  26.825   7.598
 2121   1HD   LYS 206          1HD       LYS 206  18.857  28.446   9.640
 2122   2HD   LYS 206          2HD       LYS 206  20.363  27.608  10.015
 2123   1HE   LYS 206          1HE       LYS 206  20.585  29.184   7.561
 2124   2HE   LYS 206          2HE       LYS 206  20.168  30.183   8.966
 2125   1HZ   LYS 206          1HZ       LYS 206  21.980  29.325  10.179
 2126   2HZ   LYS 206          2HZ       LYS 206  22.616  29.684   8.646
 2127   3HZ   LYS 206          3HZ       LYS 206  22.256  28.077   9.061
 2128    H    GLN 207           H        GLN 207  16.327  24.281   7.211
 2129    HA   GLN 207           HA       GLN 207  18.624  22.988   5.790
 2130   1HB   GLN 207          1HB       GLN 207  16.817  22.331   8.064
 2131   2HB   GLN 207          2HB       GLN 207  17.272  20.979   7.028
 2132   1HG   GLN 207          1HG       GLN 207  19.503  21.110   7.604
 2133   2HG   GLN 207          2HG       GLN 207  19.437  22.851   7.880
 2134   1HE2  GLN 207          1HE2      GLN 207  19.646  19.900   9.496
 2135   2HE2  GLN 207          2HE2      GLN 207  19.089  20.398  11.020
 2136    H    LEU 208           H        LEU 208  15.073  22.631   6.194
 2137    HA   LEU 208           HA       LEU 208  14.771  20.950   3.858
 2138   1HB   LEU 208          1HB       LEU 208  13.149  22.267   5.939
 2139   2HB   LEU 208          2HB       LEU 208  12.314  22.113   4.393
 2140    HG   LEU 208           HG       LEU 208  13.291  19.651   4.482
 2141   1HD1  LEU 208          1HD1      LEU 208  13.357  18.809   6.808
 2142   2HD1  LEU 208          2HD1      LEU 208  13.133  20.453   7.404
 2143   3HD1  LEU 208          3HD1      LEU 208  14.605  20.024   6.533
 2144   1HD2  LEU 208          1HD2      LEU 208  10.851  20.586   4.650
 2145   2HD2  LEU 208          2HD2      LEU 208  11.021  20.231   6.370
 2146   3HD2  LEU 208          3HD2      LEU 208  11.172  18.935   5.182
 2147    H    ALA 209           H        ALA 209  15.469  21.895   1.929
 2148    HA   ALA 209           HA       ALA 209  14.009  24.356   1.067
 2149   1HB   ALA 209          1HB       ALA 209  16.586  24.395   1.975
 2150   2HB   ALA 209          2HB       ALA 209  15.968  25.523   0.768
 2151   3HB   ALA 209          3HB       ALA 209  16.856  24.086   0.260
 2152    H    THR 210           H        THR 210  15.337  24.572  -1.426
 2153    HA   THR 210           HA       THR 210  13.927  22.696  -3.037
 2154    HB   THR 210           HB       THR 210  14.703  24.892  -3.801
 2155    HG1  THR 210           HG1      THR 210  14.740  23.939  -5.653
 2156   1HG2  THR 210          1HG2      THR 210  16.754  25.612  -3.219
 2157   2HG2  THR 210          2HG2      THR 210  17.471  24.393  -4.272
 2158   3HG2  THR 210          3HG2      THR 210  17.144  24.015  -2.580
 2159    H    LYS 211           H        LYS 211  14.393  20.523  -2.499
 2160    HA   LYS 211           HA       LYS 211  17.051  19.544  -3.399
 2161   1HB   LYS 211          1HB       LYS 211  16.002  19.685  -0.637
 2162   2HB   LYS 211          2HB       LYS 211  16.641  18.103  -1.084
 2163   1HG   LYS 211          1HG       LYS 211  18.344  20.306  -1.993
 2164   2HG   LYS 211          2HG       LYS 211  18.152  20.274  -0.240
 2165   1HD   LYS 211          1HD       LYS 211  19.518  18.492  -0.082
 2166   2HD   LYS 211          2HD       LYS 211  18.525  17.588  -1.225
 2167   1HE   LYS 211          1HE       LYS 211  20.260  19.708  -2.397
 2168   2HE   LYS 211          2HE       LYS 211  21.083  18.266  -1.773
 2169   1HZ   LYS 211          1HZ       LYS 211  20.402  17.808  -4.006
 2170   2HZ   LYS 211          2HZ       LYS 211  18.824  18.361  -3.707
 2171   3HZ   LYS 211          3HZ       LYS 211  19.375  16.931  -2.976
 2172    H    ALA 212           H        ALA 212  14.128  18.323  -1.707
 2173    HA   ALA 212           HA       ALA 212  12.760  16.461  -2.196
 2174   1HB   ALA 212          1HB       ALA 212  13.449  16.822  -5.085
 2175   2HB   ALA 212          2HB       ALA 212  12.748  18.203  -4.244
 2176   3HB   ALA 212          3HB       ALA 212  11.864  16.679  -4.326
 2177    H    ALA 213           H        ALA 213  14.043  14.743  -1.364
 2178    HA   ALA 213           HA       ALA 213  15.777  13.345  -3.378
 2179   1HB   ALA 213          1HB       ALA 213  16.202  14.288  -0.681
 2180   2HB   ALA 213          2HB       ALA 213  17.365  13.532  -1.770
 2181   3HB   ALA 213          3HB       ALA 213  16.368  12.533  -0.713
 2182    H    ARG 214           H        ARG 214  15.362  11.139  -3.684
 2183    HA   ARG 214           HA       ARG 214  13.452   9.779  -1.850
 2184   1HB   ARG 214          1HB       ARG 214  13.064  10.574  -4.717
 2185   2HB   ARG 214          2HB       ARG 214  12.352   9.055  -4.172
 2186   1HG   ARG 214          1HG       ARG 214  11.307  10.337  -2.260
 2187   2HG   ARG 214          2HG       ARG 214  11.866  11.821  -3.033
 2188   1HD   ARG 214          1HD       ARG 214  10.263   9.826  -4.628
 2189   2HD   ARG 214          2HD       ARG 214   9.439  10.981  -3.562
 2190    HE   ARG 214           HE       ARG 214  10.854  11.641  -6.028
 2191   1HH1  ARG 214          1HH1      ARG 214   9.924  12.768  -2.868
 2192   2HH1  ARG 214          2HH1      ARG 214  10.004  14.435  -3.318
 2193   1HH2  ARG 214          1HH2      ARG 214  10.951  13.813  -6.588
 2194   2HH2  ARG 214          2HH2      ARG 214  10.581  15.026  -5.408
 2195   1HN   MLZ 215          1HN       MLZ 215  13.073   7.437  -3.086
 2196    HA   MLZ 215           HA       MLZ 215  15.772   6.253  -3.156
 2197   1HB   MLZ 215          1HB       MLZ 215  12.972   5.084  -3.385
 2198   2HB   MLZ 215          2HB       MLZ 215  14.446   4.153  -3.121
 2199   1HG   MLZ 215          1HG       MLZ 215  13.799   6.405  -1.247
 2200   2HG   MLZ 215          2HG       MLZ 215  14.701   4.922  -0.939
 2201   1HD   MLZ 215          1HD       MLZ 215  11.802   5.427  -0.775
 2202   2HD   MLZ 215          2HD       MLZ 215  12.226   3.941  -1.625
 2203   1HE   MLZ 215          1HE       MLZ 215  13.836   4.287   0.789
 2204   2HE   MLZ 215          2HE       MLZ 215  12.804   2.922   0.320
 2205    HZ   MLZ 215           HZ       MLZ 215  10.877   4.100   1.047
 2206   1HCM  MLZ 215          1HCM      MLZ 215  11.675   3.057   2.898
 2207   2HCM  MLZ 215          2HCM      MLZ 215  11.661   4.735   3.439
 2208   3HCM  MLZ 215          3HCM      MLZ 215  13.164   4.000   2.882
 2209    H    SER 216           H        SER 216  16.831   6.249  -5.106
 2210    HA   SER 216           HA       SER 216  17.217   5.861  -7.407
 2211   1HB   SER 216          1HB       SER 216  15.906   7.308  -8.729
 2212   2HB   SER 216          2HB       SER 216  14.443   6.977  -7.802
 2213    HG   SER 216           HG       SER 216  16.093   8.974  -7.486
 2214    H    ALA 217           H        ALA 217  15.803   5.016  -9.498
 2215    HA   ALA 217           HA       ALA 217  14.776   2.373  -8.638
 2216   1HB   ALA 217          1HB       ALA 217  12.599   2.896  -9.022
 2217   2HB   ALA 217          2HB       ALA 217  12.994   3.595 -10.593
 2218   3HB   ALA 217          3HB       ALA 217  13.101   4.583  -9.136
 2219    HA   PRO 218           HA       PRO 218  16.671   1.062 -12.374
 2220   1HB   PRO 218          1HB       PRO 218  14.859  -0.840 -13.279
 2221   2HB   PRO 218          2HB       PRO 218  16.056  -1.130 -12.005
 2222   1HG   PRO 218          1HG       PRO 218  13.153  -0.529 -11.786
 2223   2HG   PRO 218          2HG       PRO 218  14.163  -1.593 -10.798
 2224   1HD   PRO 218          1HD       PRO 218  13.357   0.872  -9.987
 2225   2HD   PRO 218          2HD       PRO 218  14.878   0.125  -9.455
 2226    H    ALA 219           H        ALA 219  16.666   1.801 -14.490
 2227    HA   ALA 219           HA       ALA 219  14.443   3.464 -15.391
 2228   1HB   ALA 219          1HB       ALA 219  16.145   3.268 -17.501
 2229   2HB   ALA 219          2HB       ALA 219  17.210   2.721 -16.206
 2230   3HB   ALA 219          3HB       ALA 219  16.459   4.314 -16.117
 2231    H    THR 220           H        THR 220  13.057   1.273 -15.204
 2232    HA   THR 220           HA       THR 220  11.818  -0.369 -16.364
 2233    HB   THR 220           HB       THR 220  12.744   1.002 -18.883
 2234    HG1  THR 220           HG1      THR 220  11.411   2.733 -18.379
 2235   1HG2  THR 220          1HG2      THR 220  11.063  -0.715 -19.135
 2236   2HG2  THR 220          2HG2      THR 220  10.263   0.844 -19.338
 2237   3HG2  THR 220          3HG2      THR 220  10.103  -0.038 -17.819
 2238    H    GLY 221           H        GLY 221  13.062  -2.254 -16.043
 2239   1HA   GLY 221          1HA       GLY 221  13.959  -3.901 -17.911
 2240   2HA   GLY 221          2HA       GLY 221  15.313  -2.771 -17.912
 2241   1HN   SAH 301          1HN       SAH 301 -11.910  -0.986  -8.456
 2242   2HN   SAH 301          2HN       SAH 301 -10.885  -0.395  -9.677
 2243    HA   SAH 301           HA       SAH 301 -10.766   1.738  -8.255
 2244   1HB   SAH 301          1HB       SAH 301 -11.915  -0.407  -6.443
 2245   2HB   SAH 301          2HB       SAH 301 -11.125   1.038  -5.813
 2246   1HG   SAH 301          1HG       SAH 301 -13.803   0.848  -6.463
 2247   2HG   SAH 301          2HG       SAH 301 -13.113   1.610  -7.895
 2248   1H5*  SAH 301          1H5*      SAH 301 -15.089   2.178  -5.643
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.710   3.479  -4.515
 2250    H4*  SAH 301           H4*      SAH 301 -14.591   4.960  -6.557
 2251    H3*  SAH 301           H3*      SAH 301 -16.764   4.027  -4.906
 2252   *HO3  SAH 301          *HO3      SAH 301 -15.895   6.152  -4.989
 2253    H2*  SAH 301           H2*      SAH 301 -18.322   3.441  -6.399
 2254   *HO2  SAH 301          *HO2      SAH 301 -18.631   5.110  -8.218
 2255    H1*  SAH 301           H1*      SAH 301 -17.068   4.030  -8.920
 2256    H8   SAH 301           H8       SAH 301 -15.864   0.897  -7.262
 2257   1HN6  SAH 301          1HN6      SAH 301 -19.754  -2.203  -8.784
 2258   2HN6  SAH 301          2HN6      SAH 301 -21.040  -1.717  -7.703
 2259    H2   SAH 301           H2       SAH 301 -21.487   2.447  -9.890
 2260   1HN   SAH 302          1HN       SAH 302  11.789  -0.964   8.443
 2261   2HN   SAH 302          2HN       SAH 302  10.750  -0.376   9.652
 2262    HA   SAH 302           HA       SAH 302  10.652   1.757   8.229
 2263   1HB   SAH 302          1HB       SAH 302  11.820  -0.391   6.433
 2264   2HB   SAH 302          2HB       SAH 302  11.036   1.052   5.791
 2265   1HG   SAH 302          1HG       SAH 302  13.707   0.867   6.473
 2266   2HG   SAH 302          2HG       SAH 302  13.001   1.630   7.897
 2267   1H5*  SAH 302          1H5*      SAH 302  15.001   2.199   5.669
 2268   2H5*  SAH 302          2H5*      SAH 302  14.634   3.499   4.535
 2269    H4*  SAH 302           H4*      SAH 302  14.487   4.981   6.574
 2270    H3*  SAH 302           H3*      SAH 302  16.682   4.049   4.951
 2271   *HO3  SAH 302          *HO3      SAH 302  15.809   6.175   5.023
 2272    H2*  SAH 302           H2*      SAH 302  18.223   3.468   6.464
 2273   *HO2  SAH 302          *HO2      SAH 302  18.507   5.138   8.285
 2274    H1*  SAH 302           H1*      SAH 302  16.937   4.057   8.969
 2275    H8   SAH 302           H8       SAH 302  15.758   0.921   7.298
 2276   1HN6  SAH 302          1HN6      SAH 302  19.633  -2.172   8.872
 2277   2HN6  SAH 302          2HN6      SAH 302  20.931  -1.685   7.807
 2278    H2   SAH 302           H2       SAH 302  21.345   2.482   9.996
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1   0.699 -11.944  -7.706
    2   2H    MET   1          2H        MET   1   0.941 -11.516  -6.080
    3   3H    MET   1          3H        MET   1   1.632 -10.579  -7.317
    4    HA   MET   1           HA       MET   1  -0.457  -9.653  -6.221
    5   1HB   MET   1          1HB       MET   1   0.643  -9.741  -8.865
    6   2HB   MET   1          2HB       MET   1  -1.113  -9.672  -9.016
    7   1HG   MET   1          1HG       MET   1   0.435  -7.824  -7.187
    8   2HG   MET   1          2HG       MET   1   0.082  -7.417  -8.866
    9   1HE   MET   1          1HE       MET   1  -2.346  -5.119  -7.165
   10   2HE   MET   1          2HE       MET   1  -0.700  -5.387  -7.739
   11   3HE   MET   1          3HE       MET   1  -1.115  -5.728  -6.059
   12    H    PHE   2           H        PHE   2  -0.707 -12.756  -6.442
   13    HA   PHE   2           HA       PHE   2  -3.601 -12.845  -6.341
   14   1HB   PHE   2          1HB       PHE   2  -3.823 -14.255  -8.425
   15   2HB   PHE   2          2HB       PHE   2  -3.344 -12.591  -8.750
   16    HD1  PHE   2           HD1      PHE   2  -2.322 -16.101  -8.835
   17    HD2  PHE   2           HD2      PHE   2  -0.987 -12.048  -9.320
   18    HE1  PHE   2           HE1      PHE   2  -0.275 -16.911  -9.977
   19    HE2  PHE   2           HE2      PHE   2   1.059 -12.857 -10.460
   20    HZ   PHE   2           HZ       PHE   2   1.416 -15.288 -10.789
   21    H    ASN   3           H        ASN   3  -3.936 -14.433  -4.852
   22    HA   ASN   3           HA       ASN   3  -2.094 -16.802  -4.871
   23   1HB   ASN   3          1HB       ASN   3  -2.557 -16.809  -2.388
   24   2HB   ASN   3          2HB       ASN   3  -1.733 -15.352  -2.941
   25   1HD2  ASN   3          1HD2      ASN   3  -2.818 -14.542  -0.793
   26   2HD2  ASN   3          2HD2      ASN   3  -4.382 -13.898  -0.937
   27    H    ASP   4           H        ASP   4  -3.138 -18.808  -4.015
   28    HA   ASP   4           HA       ASP   4  -5.465 -19.573  -5.348
   29   1HB   ASP   4          1HB       ASP   4  -5.465 -21.440  -3.709
   30   2HB   ASP   4          2HB       ASP   4  -3.824 -21.057  -4.229
   31    H    ARG   5           H        ARG   5  -5.206 -17.779  -2.339
   32    HA   ARG   5           HA       ARG   5  -7.931 -18.263  -1.451
   33   1HB   ARG   5          1HB       ARG   5  -5.999 -17.615  -0.007
   34   2HB   ARG   5          2HB       ARG   5  -5.951 -16.047  -0.806
   35   1HG   ARG   5          1HG       ARG   5  -7.876 -15.306   0.213
   36   2HG   ARG   5          2HG       ARG   5  -8.559 -16.928   0.329
   37   1HD   ARG   5          1HD       ARG   5  -7.968 -16.238   2.573
   38   2HD   ARG   5          2HD       ARG   5  -6.762 -17.423   2.054
   39    HE   ARG   5           HE       ARG   5  -5.934 -14.796   1.249
   40   1HH1  ARG   5          1HH1      ARG   5  -6.269 -16.813   4.066
   41   2HH1  ARG   5          2HH1      ARG   5  -5.002 -16.010   4.927
   42   1HH2  ARG   5          1HH2      ARG   5  -4.294 -13.770   2.386
   43   2HH2  ARG   5          2HH2      ARG   5  -3.891 -14.300   3.985
   44    H    VAL   6           H        VAL   6  -6.317 -15.541  -3.136
   45    HA   VAL   6           HA       VAL   6  -8.904 -14.807  -4.375
   46    HB   VAL   6           HB       VAL   6  -8.641 -12.452  -3.491
   47   1HG1  VAL   6          1HG1      VAL   6 -10.111 -14.251  -2.444
   48   2HG1  VAL   6          2HG1      VAL   6  -9.641 -12.932  -1.371
   49   3HG1  VAL   6          3HG1      VAL   6  -8.823 -14.490  -1.264
   50   1HG2  VAL   6          1HG2      VAL   6  -6.193 -12.700  -2.984
   51   2HG2  VAL   6          2HG2      VAL   6  -6.626 -13.743  -1.629
   52   3HG2  VAL   6          3HG2      VAL   6  -7.127 -12.053  -1.635
   53    H    ILE   7           H        ILE   7  -8.406 -12.602  -5.676
   54    HA   ILE   7           HA       ILE   7  -5.628 -12.507  -6.697
   55    HB   ILE   7           HB       ILE   7  -6.673 -14.327  -7.960
   56   1HG1  ILE   7          1HG1      ILE   7  -6.641 -11.786  -9.616
   57   2HG1  ILE   7          2HG1      ILE   7  -5.220 -12.742  -9.203
   58   1HG2  ILE   7          1HG2      ILE   7  -9.008 -12.812  -7.583
   59   2HG2  ILE   7          2HG2      ILE   7  -8.868 -14.324  -8.481
   60   3HG2  ILE   7          3HG2      ILE   7  -8.721 -12.781  -9.323
   61   1HD1  ILE   7          1HD1      ILE   7  -7.501 -13.439 -11.032
   62   2HD1  ILE   7          2HD1      ILE   7  -6.584 -14.725 -10.246
   63   3HD1  ILE   7          3HD1      ILE   7  -5.766 -13.585 -11.315
   64    H    VAL   8           H        VAL   8  -5.219 -10.532  -7.847
   65    HA   VAL   8           HA       VAL   8  -7.251  -8.422  -7.360
   66    HB   VAL   8           HB       VAL   8  -4.352  -8.370  -8.277
   67   1HG1  VAL   8          1HG1      VAL   8  -4.435  -5.985  -7.915
   68   2HG1  VAL   8          2HG1      VAL   8  -6.069  -6.089  -7.259
   69   3HG1  VAL   8          3HG1      VAL   8  -5.786  -6.399  -8.972
   70   1HG2  VAL   8          1HG2      VAL   8  -5.671  -7.894  -5.589
   71   2HG2  VAL   8          2HG2      VAL   8  -3.981  -7.529  -5.939
   72   3HG2  VAL   8          3HG2      VAL   8  -4.555  -9.195  -6.001
   73    H    LYS   9           H        LYS   9  -8.606  -7.894  -8.998
   74    HA   LYS   9           HA       LYS   9  -7.629  -8.154 -11.803
   75   1HB   LYS   9          1HB       LYS   9 -10.166  -8.902 -10.463
   76   2HB   LYS   9          2HB       LYS   9 -10.163  -8.589 -12.186
   77   1HG   LYS   9          1HG       LYS   9  -8.366 -10.280 -12.451
   78   2HG   LYS   9          2HG       LYS   9  -8.428 -10.600 -10.720
   79   1HD   LYS   9          1HD       LYS   9 -10.346 -11.814 -10.890
   80   2HD   LYS   9          2HD       LYS   9 -11.037 -10.734 -12.100
   81   1HE   LYS   9          1HE       LYS   9  -9.472 -11.731 -13.796
   82   2HE   LYS   9          2HE       LYS   9  -8.965 -12.897 -12.564
   83   1HZ   LYS   9          1HZ       LYS   9 -11.779 -12.421 -13.403
   84   2HZ   LYS   9          2HZ       LYS   9 -11.246 -13.591 -12.293
   85   3HZ   LYS   9          3HZ       LYS   9 -10.828 -13.724 -13.934
   86    H    LYS  10           H        LYS  10  -9.009  -4.892 -12.532
   87    HA   LYS  10           HA       LYS  10  -8.137  -5.786 -14.502
   88   1HB   LYS  10          1HB       LYS  10  -6.479  -6.589 -12.230
   89   2HB   LYS  10          2HB       LYS  10  -6.309  -7.681 -13.604
   90   1HG   LYS  10          1HG       LYS  10  -6.190  -4.676 -13.914
   91   2HG   LYS  10          2HG       LYS  10  -4.753  -5.640 -13.571
   92   1HD   LYS  10          1HD       LYS  10  -6.612  -6.022 -15.940
   93   2HD   LYS  10          2HD       LYS  10  -5.010  -5.287 -16.000
   94   1HE   LYS  10          1HE       LYS  10  -4.157  -7.504 -14.962
   95   2HE   LYS  10          2HE       LYS  10  -5.729  -8.171 -15.442
   96   1HZ   LYS  10          1HZ       LYS  10  -4.065  -8.385 -17.219
   97   2HZ   LYS  10          2HZ       LYS  10  -3.863  -6.699 -17.235
   98   3HZ   LYS  10          3HZ       LYS  10  -5.352  -7.380 -17.688
   99    H    SER  11           H        SER  11 -10.521  -6.842 -14.240
  100    HA   SER  11           HA       SER  11 -10.244  -9.817 -14.380
  101   1HB   SER  11          1HB       SER  11 -12.341  -9.859 -13.422
  102   2HB   SER  11          2HB       SER  11 -11.913  -8.225 -12.922
  103    HG   SER  11           HG       SER  11 -13.949  -8.324 -13.967
  104    HA   PRO  12           HA       PRO  12 -11.484 -10.144 -18.591
  105   1HB   PRO  12          1HB       PRO  12 -14.300 -10.916 -18.044
  106   2HB   PRO  12          2HB       PRO  12 -13.030 -11.828 -18.878
  107   1HG   PRO  12          1HG       PRO  12 -13.890 -12.472 -16.415
  108   2HG   PRO  12          2HG       PRO  12 -12.219 -12.724 -16.936
  109   1HD   PRO  12          1HD       PRO  12 -13.348 -10.635 -15.142
  110   2HD   PRO  12          2HD       PRO  12 -11.761 -11.433 -15.097
  111    H    LEU  13           H        LEU  13 -14.082  -8.659 -16.650
  112    HA   LEU  13           HA       LEU  13 -14.999  -7.018 -18.918
  113   1HB   LEU  13          1HB       LEU  13 -15.718  -7.402 -16.006
  114   2HB   LEU  13          2HB       LEU  13 -16.441  -6.097 -16.947
  115    HG   LEU  13           HG       LEU  13 -16.496  -8.625 -18.397
  116   1HD1  LEU  13          1HD1      LEU  13 -18.260  -9.648 -16.925
  117   2HD1  LEU  13          2HD1      LEU  13 -17.843  -8.466 -15.685
  118   3HD1  LEU  13          3HD1      LEU  13 -16.650  -9.656 -16.206
  119   1HD2  LEU  13          1HD2      LEU  13 -18.601  -7.864 -19.005
  120   2HD2  LEU  13          2HD2      LEU  13 -17.843  -6.338 -18.548
  121   3HD2  LEU  13          3HD2      LEU  13 -18.918  -7.161 -17.418
  122    H    GLY  14           H        GLY  14 -12.820  -6.722 -16.202
  123   1HA   GLY  14          1HA       GLY  14 -11.114  -4.912 -16.382
  124   2HA   GLY  14          2HA       GLY  14 -12.411  -3.848 -16.926
  125    H    GLY  15           H        GLY  15 -11.896  -2.397 -15.144
  126   1HA   GLY  15          1HA       GLY  15 -12.465  -1.515 -13.036
  127   2HA   GLY  15          2HA       GLY  15 -13.459  -2.947 -12.765
  128    H    TYR  16           H        TYR  16 -11.273  -1.471 -11.133
  129    HA   TYR  16           HA       TYR  16  -9.361  -3.723 -10.749
  130   1HB   TYR  16          1HB       TYR  16  -9.347  -0.833 -10.569
  131   2HB   TYR  16          2HB       TYR  16  -8.809  -1.527  -9.041
  132    HD1  TYR  16           HD1      TYR  16  -7.146  -3.605  -9.314
  133    HD2  TYR  16           HD2      TYR  16  -7.764  -0.529 -12.248
  134    HE1  TYR  16           HE1      TYR  16  -4.947  -4.133 -10.331
  135    HE2  TYR  16           HE2      TYR  16  -5.565  -1.057 -13.265
  136    HH   TYR  16           HH       TYR  16  -3.914  -2.646 -13.348
  137    H    GLY  17           H        GLY  17 -11.328  -4.931  -9.769
  138   1HA   GLY  17          1HA       GLY  17 -11.697  -4.132  -6.907
  139   2HA   GLY  17          2HA       GLY  17 -12.870  -5.083  -7.820
  140    H    VAL  18           H        VAL  18 -12.336  -6.436  -5.679
  141    HA   VAL  18           HA       VAL  18  -9.908  -8.117  -6.153
  142    HB   VAL  18           HB       VAL  18 -11.832  -7.804  -3.820
  143   1HG1  VAL  18          1HG1      VAL  18 -10.309 -10.027  -4.366
  144   2HG1  VAL  18          2HG1      VAL  18 -10.775  -9.515  -2.745
  145   3HG1  VAL  18          3HG1      VAL  18  -9.198  -9.066  -3.391
  146   1HG2  VAL  18          1HG2      VAL  18  -9.124  -6.690  -4.504
  147   2HG2  VAL  18          2HG2      VAL  18  -9.593  -6.896  -2.816
  148   3HG2  VAL  18          3HG2      VAL  18 -10.540  -5.849  -3.874
  149    H    PHE  19           H        PHE  19 -10.127 -10.376  -6.442
  150    HA   PHE  19           HA       PHE  19 -12.907 -11.300  -7.073
  151   1HB   PHE  19          1HB       PHE  19 -10.356 -11.395  -8.422
  152   2HB   PHE  19          2HB       PHE  19 -10.913 -13.041  -8.121
  153    HD1  PHE  19           HD1      PHE  19 -12.753 -13.965  -9.325
  154    HD2  PHE  19           HD2      PHE  19 -11.884  -9.767  -9.604
  155    HE1  PHE  19           HE1      PHE  19 -14.383 -13.751 -11.181
  156    HE2  PHE  19           HE2      PHE  19 -13.515  -9.554 -11.460
  157    HZ   PHE  19           HZ       PHE  19 -14.765 -11.546 -12.249
  158    H    ALA  20           H        ALA  20 -13.717 -12.821  -5.696
  159    HA   ALA  20           HA       ALA  20 -11.954 -13.994  -3.644
  160   1HB   ALA  20          1HB       ALA  20 -14.697 -14.899  -3.610
  161   2HB   ALA  20          2HB       ALA  20 -14.659 -13.165  -3.929
  162   3HB   ALA  20          3HB       ALA  20 -13.889 -13.812  -2.480
  163    H    ARG  21           H        ARG  21 -10.736 -15.530  -4.934
  164    HA   ARG  21           HA       ARG  21 -11.844 -17.502  -6.670
  165   1HB   ARG  21          1HB       ARG  21  -9.369 -16.725  -5.726
  166   2HB   ARG  21          2HB       ARG  21  -9.573 -18.295  -4.950
  167   1HG   ARG  21          1HG       ARG  21  -8.993 -19.272  -6.893
  168   2HG   ARG  21          2HG       ARG  21 -10.466 -18.620  -7.612
  169   1HD   ARG  21          1HD       ARG  21  -9.253 -17.171  -8.865
  170   2HD   ARG  21          2HD       ARG  21  -8.436 -16.549  -7.418
  171    HE   ARG  21           HE       ARG  21  -6.645 -18.032  -7.867
  172   1HH1  ARG  21          1HH1      ARG  21  -9.502 -18.970  -9.622
  173   2HH1  ARG  21          2HH1      ARG  21  -8.686 -20.214 -10.504
  174   1HH2  ARG  21          1HH2      ARG  21  -5.608 -19.652  -9.024
  175   2HH2  ARG  21          2HH2      ARG  21  -6.498 -20.599 -10.169
  176    H    LYS  22           H        LYS  22 -11.861 -17.182  -3.203
  177    HA   LYS  22           HA       LYS  22 -12.593 -20.009  -2.734
  178   1HB   LYS  22          1HB       LYS  22 -11.461 -17.765  -1.327
  179   2HB   LYS  22          2HB       LYS  22 -12.884 -18.314  -0.448
  180   1HG   LYS  22          1HG       LYS  22 -11.932 -20.329   0.089
  181   2HG   LYS  22          2HG       LYS  22 -11.075 -20.446  -1.447
  182   1HD   LYS  22          1HD       LYS  22  -9.654 -18.458  -0.514
  183   2HD   LYS  22          2HD       LYS  22 -10.282 -18.968   1.053
  184   1HE   LYS  22          1HE       LYS  22  -8.946 -20.896  -0.873
  185   2HE   LYS  22          2HE       LYS  22  -8.064 -20.039   0.405
  186   1HZ   LYS  22          1HZ       LYS  22  -9.397 -21.000   2.058
  187   2HZ   LYS  22          2HZ       LYS  22  -9.066 -22.291   1.005
  188   3HZ   LYS  22          3HZ       LYS  22 -10.576 -21.514   0.948
  189    H    SER  23           H        SER  23 -16.019 -19.249  -1.547
  190    HA   SER  23           HA       SER  23 -13.512 -20.786  -1.051
  191   1HB   SER  23          1HB       SER  23 -15.508 -22.049  -1.633
  192   2HB   SER  23          2HB       SER  23 -15.179 -22.323   0.078
  193    HG   SER  23           HG       SER  23 -17.191 -21.716   0.246
  194    H    PHE  24           H        PHE  24 -15.545 -18.370   0.375
  195    HA   PHE  24           HA       PHE  24 -13.932 -18.542   2.885
  196   1HB   PHE  24          1HB       PHE  24 -15.475 -16.363   1.445
  197   2HB   PHE  24          2HB       PHE  24 -14.808 -16.133   3.061
  198    HD1  PHE  24           HD1      PHE  24 -14.168 -15.423  -0.225
  199    HD2  PHE  24           HD2      PHE  24 -12.243 -17.235   3.161
  200    HE1  PHE  24           HE1      PHE  24 -11.951 -14.910  -1.210
  201    HE2  PHE  24           HE2      PHE  24 -10.025 -16.720   2.174
  202    HZ   PHE  24           HZ       PHE  24  -9.880 -15.559  -0.006
  203    H    GLU  25           H        GLU  25 -15.078 -18.042   4.922
  204    HA   GLU  25           HA       GLU  25 -17.848 -19.152   4.932
  205   1HB   GLU  25          1HB       GLU  25 -15.487 -19.458   6.495
  206   2HB   GLU  25          2HB       GLU  25 -16.675 -18.661   7.527
  207   1HG   GLU  25          1HG       GLU  25 -16.858 -21.124   7.683
  208   2HG   GLU  25          2HG       GLU  25 -18.322 -20.416   7.001
  209    H    LYS  26           H        LYS  26 -18.693 -18.015   7.369
  210    HA   LYS  26           HA       LYS  26 -19.199 -15.217   6.503
  211   1HB   LYS  26          1HB       LYS  26 -21.025 -16.836   7.107
  212   2HB   LYS  26          2HB       LYS  26 -20.386 -16.887   8.747
  213   1HG   LYS  26          1HG       LYS  26 -20.660 -14.369   8.826
  214   2HG   LYS  26          2HG       LYS  26 -21.530 -14.489   7.297
  215   1HD   LYS  26          1HD       LYS  26 -23.248 -15.840   8.278
  216   2HD   LYS  26          2HD       LYS  26 -22.308 -16.078   9.752
  217   1HE   LYS  26          1HE       LYS  26 -23.125 -14.158  10.643
  218   2HE   LYS  26          2HE       LYS  26 -22.665 -13.240   9.197
  219   1HZ   LYS  26          1HZ       LYS  26 -24.624 -13.903   8.090
  220   2HZ   LYS  26          2HZ       LYS  26 -25.134 -13.434   9.641
  221   3HZ   LYS  26          3HZ       LYS  26 -24.991 -15.082   9.256
  222    H    GLY  27           H        GLY  27 -17.334 -14.075   7.167
  223   1HA   GLY  27          1HA       GLY  27 -16.499 -12.636   8.945
  224   2HA   GLY  27          2HA       GLY  27 -16.994 -13.858  10.117
  225    H    GLU  28           H        GLU  28 -14.911 -13.802   7.194
  226    HA   GLU  28           HA       GLU  28 -12.782 -15.126   8.844
  227   1HB   GLU  28          1HB       GLU  28 -14.306 -16.108   6.637
  228   2HB   GLU  28          2HB       GLU  28 -12.658 -15.858   6.062
  229   1HG   GLU  28          1HG       GLU  28 -11.850 -17.120   8.096
  230   2HG   GLU  28          2HG       GLU  28 -13.534 -17.513   8.445
  231    H    LEU  29           H        LEU  29 -10.996 -13.830   8.879
  232    HA   LEU  29           HA       LEU  29 -10.617 -11.473   7.365
  233   1HB   LEU  29          1HB       LEU  29  -9.468 -12.507   9.497
  234   2HB   LEU  29          2HB       LEU  29  -8.341 -13.201   8.332
  235    HG   LEU  29           HG       LEU  29  -7.512 -11.033   9.161
  236   1HD1  LEU  29          1HD1      LEU  29  -7.440 -11.856   6.631
  237   2HD1  LEU  29          2HD1      LEU  29  -6.820 -10.269   7.089
  238   3HD1  LEU  29          3HD1      LEU  29  -8.429 -10.417   6.382
  239   1HD2  LEU  29          1HD2      LEU  29  -9.326  -9.261   7.842
  240   2HD2  LEU  29          2HD2      LEU  29  -8.952  -9.354   9.563
  241   3HD2  LEU  29          3HD2      LEU  29 -10.265 -10.321   8.892
  242    H    VAL  30           H        VAL  30  -9.884 -11.124   5.297
  243    HA   VAL  30           HA       VAL  30  -9.042 -13.503   3.701
  244    HB   VAL  30           HB       VAL  30 -10.070 -10.727   2.999
  245   1HG1  VAL  30          1HG1      VAL  30  -9.234 -13.060   1.259
  246   2HG1  VAL  30          2HG1      VAL  30  -8.632 -11.403   1.202
  247   3HG1  VAL  30          3HG1      VAL  30 -10.278 -11.763   0.678
  248   1HG2  VAL  30          1HG2      VAL  30 -11.463 -12.893   3.932
  249   2HG2  VAL  30          2HG2      VAL  30 -11.540 -13.156   2.190
  250   3HG2  VAL  30          3HG2      VAL  30 -12.147 -11.652   2.883
  251    H    GLU  31           H        GLU  31  -8.092 -10.158   4.484
  252    HA   GLU  31           HA       GLU  31  -5.265 -10.790   4.169
  253   1HB   GLU  31          1HB       GLU  31  -6.514 -10.452   1.830
  254   2HB   GLU  31          2HB       GLU  31  -6.284  -8.748   2.221
  255   1HG   GLU  31          1HG       GLU  31  -4.050  -8.851   1.841
  256   2HG   GLU  31          2HG       GLU  31  -3.891 -10.385   2.698
  257    H    GLU  32           H        GLU  32  -3.921  -8.949   4.787
  258    HA   GLU  32           HA       GLU  32  -5.305  -6.483   5.683
  259   1HB   GLU  32          1HB       GLU  32  -4.449  -6.820   7.992
  260   2HB   GLU  32          2HB       GLU  32  -5.517  -8.141   7.518
  261   1HG   GLU  32          1HG       GLU  32  -3.544  -9.506   6.908
  262   2HG   GLU  32          2HG       GLU  32  -2.484  -8.188   7.405
  263    H    CYS  33           H        CYS  33  -3.814  -4.732   5.988
  264    HA   CYS  33           HA       CYS  33  -0.923  -5.276   5.602
  265   1HB   CYS  33          1HB       CYS  33  -2.762  -4.526   3.538
  266   2HB   CYS  33          2HB       CYS  33  -1.687  -3.162   3.834
  267    HG   CYS  33           HG       CYS  33  -0.842  -5.886   2.678
  268    H    LEU  34           H        LEU  34  -0.204  -2.597   5.055
  269    HA   LEU  34           HA       LEU  34  -0.782  -1.354   7.695
  270   1HB   LEU  34          1HB       LEU  34   1.434  -1.614   5.853
  271   2HB   LEU  34          2HB       LEU  34   1.152   0.086   6.224
  272    HG   LEU  34           HG       LEU  34   2.708  -0.967   7.841
  273   1HD1  LEU  34          1HD1      LEU  34   0.042  -0.337   9.124
  274   2HD1  LEU  34          2HD1      LEU  34   1.139   0.890   8.493
  275   3HD1  LEU  34          3HD1      LEU  34   1.641  -0.133   9.839
  276   1HD2  LEU  34          1HD2      LEU  34   0.321  -2.667   8.607
  277   2HD2  LEU  34          2HD2      LEU  34   1.911  -2.693   9.368
  278   3HD2  LEU  34          3HD2      LEU  34   1.720  -3.253   7.707
  279    H    CYS  35           H        CYS  35  -0.740   1.182   7.531
  280    HA   CYS  35           HA       CYS  35  -2.084   2.227   5.101
  281   1HB   CYS  35          1HB       CYS  35  -3.304   1.675   7.767
  282   2HB   CYS  35          2HB       CYS  35  -3.748   3.205   7.011
  283    HG   CYS  35           HG       CYS  35  -5.252   1.005   6.263
  284    H    ILE  36           H        ILE  36  -1.936   4.557   4.984
  285    HA   ILE  36           HA       ILE  36   0.173   5.700   6.743
  286    HB   ILE  36           HB       ILE  36  -1.330   6.844   4.363
  287   1HG1  ILE  36          1HG1      ILE  36   1.444   5.647   4.367
  288   2HG1  ILE  36          2HG1      ILE  36   0.013   4.687   3.998
  289   1HG2  ILE  36          1HG2      ILE  36   0.378   8.505   4.274
  290   2HG2  ILE  36          2HG2      ILE  36   1.379   7.639   5.438
  291   3HG2  ILE  36          3HG2      ILE  36  -0.110   8.421   5.967
  292   1HD1  ILE  36          1HD1      ILE  36  -0.513   6.025   2.091
  293   2HD1  ILE  36          2HD1      ILE  36   1.221   5.721   1.990
  294   3HD1  ILE  36          3HD1      ILE  36   0.631   7.280   2.568
  295    H    VAL  37           H        VAL  37  -0.222   7.527   8.093
  296    HA   VAL  37           HA       VAL  37  -3.116   8.234   8.467
  297    HB   VAL  37           HB       VAL  37  -0.925   7.909  10.548
  298   1HG1  VAL  37          1HG1      VAL  37  -3.612   9.040  10.589
  299   2HG1  VAL  37          2HG1      VAL  37  -2.355   9.104  11.824
  300   3HG1  VAL  37          3HG1      VAL  37  -3.440   7.716  11.741
  301   1HG2  VAL  37          1HG2      VAL  37  -1.655   5.780   9.410
  302   2HG2  VAL  37          2HG2      VAL  37  -3.290   6.102   9.986
  303   3HG2  VAL  37          3HG2      VAL  37  -1.987   5.821  11.141
  304    H    ARG  38           H        ARG  38  -3.206  10.310   7.639
  305    HA   ARG  38           HA       ARG  38  -1.309  12.310   8.804
  306   1HB   ARG  38          1HB       ARG  38  -2.191  11.986   5.915
  307   2HB   ARG  38          2HB       ARG  38  -1.229  13.333   6.515
  308   1HG   ARG  38          1HG       ARG  38  -0.379  10.444   6.821
  309   2HG   ARG  38          2HG       ARG  38   0.095  11.441   5.446
  310   1HD   ARG  38          1HD       ARG  38   1.017  13.126   7.115
  311   2HD   ARG  38          2HD       ARG  38   0.755  11.903   8.373
  312    HE   ARG  38           HE       ARG  38   2.091  10.571   6.298
  313   1HH1  ARG  38          1HH1      ARG  38   2.688  13.311   8.361
  314   2HH1  ARG  38          2HH1      ARG  38   4.404  13.101   8.328
  315   1HH2  ARG  38          1HH2      ARG  38   4.320  10.319   6.271
  316   2HH2  ARG  38          2HH2      ARG  38   5.324  11.420   7.154
  317    H    HIS  39           H        HIS  39  -2.222  14.503   8.832
  318    HA   HIS  39           HA       HIS  39  -5.051  14.568   9.446
  319   1HB   HIS  39          1HB       HIS  39  -2.890  16.662   9.037
  320   2HB   HIS  39          2HB       HIS  39  -4.513  17.054   9.604
  321    HD1  HIS  39           HD1      HIS  39  -2.840  17.807  11.747
  322    HD2  HIS  39           HD2      HIS  39  -3.591  13.747  11.169
  323    HE1  HIS  39           HE1      HIS  39  -2.295  16.659  13.938
  324    H    ASN  40           H        ASN  40  -6.381  16.453   8.331
  325    HA   ASN  40           HA       ASN  40  -6.837  15.732   5.597
  326   1HB   ASN  40          1HB       ASN  40  -8.421  17.622   5.722
  327   2HB   ASN  40          2HB       ASN  40  -8.475  16.690   7.218
  328   1HD2  ASN  40          1HD2      ASN  40  -9.356  19.291   7.434
  329   2HD2  ASN  40          2HD2      ASN  40  -8.203  20.257   8.219
  330    H    ASP  41           H        ASP  41  -7.099  18.754   4.855
  331    HA   ASP  41           HA       ASP  41  -5.815  20.397   3.762
  332   1HB   ASP  41          1HB       ASP  41  -4.433  19.731   6.028
  333   2HB   ASP  41          2HB       ASP  41  -3.241  19.340   4.789
  334    H    ASP  42           H        ASP  42  -3.031  19.930   2.852
  335    HA   ASP  42           HA       ASP  42  -3.382  19.033   0.263
  336   1HB   ASP  42          1HB       ASP  42  -1.042  18.828   2.179
  337   2HB   ASP  42          2HB       ASP  42  -0.883  18.461   0.462
  338    H    TRP  43           H        TRP  43  -2.816  16.996   3.118
  339    HA   TRP  43           HA       TRP  43  -2.257  14.530   1.831
  340   1HB   TRP  43          1HB       TRP  43  -2.040  14.909   4.229
  341   2HB   TRP  43          2HB       TRP  43  -3.762  15.252   4.369
  342    HD1  TRP  43           HD1      TRP  43  -5.006  13.303   5.385
  343    HE1  TRP  43           HE1      TRP  43  -4.847  10.734   5.274
  344    HE3  TRP  43           HE3      TRP  43  -0.981  12.801   2.279
  345    HZ2  TRP  43           HZ2      TRP  43  -3.229   8.731   4.035
  346    HZ3  TRP  43           HZ3      TRP  43  -0.156  10.549   1.652
  347    HH2  TRP  43           HH2      TRP  43  -1.273   8.516   2.524
  348    H    GLY  44           H        GLY  44  -5.440  15.722   2.991
  349   1HA   GLY  44          1HA       GLY  44  -6.970  13.610   1.861
  350   2HA   GLY  44          2HA       GLY  44  -7.610  15.199   2.278
  351    H    THR  45           H        THR  45  -5.674  16.545   0.431
  352    HA   THR  45           HA       THR  45  -7.336  16.374  -1.974
  353    HB   THR  45           HB       THR  45  -4.813  17.919  -1.267
  354    HG1  THR  45           HG1      THR  45  -7.491  18.816  -1.384
  355   1HG2  THR  45          1HG2      THR  45  -4.861  18.825  -3.337
  356   2HG2  THR  45          2HG2      THR  45  -6.605  19.076  -3.258
  357   3HG2  THR  45          3HG2      THR  45  -5.962  17.518  -3.780
  358    H    ALA  46           H        ALA  46  -3.772  16.194  -1.589
  359    HA   ALA  46           HA       ALA  46  -3.064  15.177  -4.065
  360   1HB   ALA  46          1HB       ALA  46  -1.589  15.817  -2.128
  361   2HB   ALA  46          2HB       ALA  46  -1.097  14.307  -2.894
  362   3HB   ALA  46          3HB       ALA  46  -1.982  14.275  -1.369
  363    H    LEU  47           H        LEU  47  -4.035  13.195  -1.237
  364    HA   LEU  47           HA       LEU  47  -4.107  10.776  -2.945
  365   1HB   LEU  47          1HB       LEU  47  -4.364  11.427  -0.002
  366   2HB   LEU  47          2HB       LEU  47  -4.771   9.822  -0.604
  367    HG   LEU  47           HG       LEU  47  -2.446   9.838   0.139
  368   1HD1  LEU  47          1HD1      LEU  47  -1.900   9.931  -2.747
  369   2HD1  LEU  47          2HD1      LEU  47  -3.322   8.973  -2.331
  370   3HD1  LEU  47          3HD1      LEU  47  -1.756   8.583  -1.618
  371   1HD2  LEU  47          1HD2      LEU  47  -0.912  11.464  -0.396
  372   2HD2  LEU  47          2HD2      LEU  47  -2.377  12.437  -0.518
  373   3HD2  LEU  47          3HD2      LEU  47  -1.634  11.776  -1.974
  374    H    GLU  48           H        GLU  48  -6.136  13.052  -3.219
  375    HA   GLU  48           HA       GLU  48  -8.639  12.225  -2.097
  376   1HB   GLU  48          1HB       GLU  48  -9.544  13.742  -3.864
  377   2HB   GLU  48          2HB       GLU  48  -8.186  14.464  -3.007
  378   1HG   GLU  48          1HG       GLU  48  -7.216  14.790  -5.015
  379   2HG   GLU  48          2HG       GLU  48  -7.022  13.043  -5.127
  380    H    ASP  49           H        ASP  49  -8.502   9.847  -2.503
  381    HA   ASP  49           HA       ASP  49 -10.050   9.055  -4.804
  382   1HB   ASP  49          1HB       ASP  49  -7.510   9.601  -5.488
  383   2HB   ASP  49          2HB       ASP  49  -7.270   7.946  -4.926
  384    H    TYR  50           H        TYR  50  -7.444   7.755  -2.697
  385    HA   TYR  50           HA       TYR  50  -9.349   5.575  -1.891
  386   1HB   TYR  50          1HB       TYR  50  -6.356   5.194  -2.021
  387   2HB   TYR  50          2HB       TYR  50  -7.625   3.981  -2.132
  388    HD1  TYR  50           HD1      TYR  50  -9.049   3.865  -4.254
  389    HD2  TYR  50           HD2      TYR  50  -5.492   6.262  -3.951
  390    HE1  TYR  50           HE1      TYR  50  -8.931   4.010  -6.726
  391    HE2  TYR  50           HE2      TYR  50  -5.378   6.404  -6.422
  392    HH   TYR  50           HH       TYR  50  -7.326   4.445  -8.468
  393    H    LEU  51           H        LEU  51  -9.325   7.792  -0.330
  394    HA   LEU  51           HA       LEU  51  -7.360   7.270   1.866
  395   1HB   LEU  51          1HB       LEU  51  -8.659   9.613   0.614
  396   2HB   LEU  51          2HB       LEU  51  -8.585   9.686   2.374
  397    HG   LEU  51           HG       LEU  51  -6.201   9.081   0.601
  398   1HD1  LEU  51          1HD1      LEU  51  -6.365  11.305   0.120
  399   2HD1  LEU  51          2HD1      LEU  51  -5.700  11.507   1.741
  400   3HD1  LEU  51          3HD1      LEU  51  -7.440  11.620   1.482
  401   1HD2  LEU  51          1HD2      LEU  51  -5.153   9.932   2.900
  402   2HD2  LEU  51          2HD2      LEU  51  -5.604   8.245   2.672
  403   3HD2  LEU  51          3HD2      LEU  51  -6.683   9.334   3.540
  404    H    PHE  52           H        PHE  52  -8.242   6.042   3.475
  405    HA   PHE  52           HA       PHE  52 -11.148   6.152   4.052
  406   1HB   PHE  52          1HB       PHE  52  -8.770   4.498   4.935
  407   2HB   PHE  52          2HB       PHE  52 -10.325   4.366   5.757
  408    HD1  PHE  52           HD1      PHE  52  -8.763   4.220   2.358
  409    HD2  PHE  52           HD2      PHE  52 -12.016   2.986   4.877
  410    HE1  PHE  52           HE1      PHE  52  -9.581   2.714   0.565
  411    HE2  PHE  52           HE2      PHE  52 -12.834   1.481   3.084
  412    HZ   PHE  52           HZ       PHE  52 -11.616   1.345   0.928
  413    H    SER  53           H        SER  53 -11.775   7.816   5.398
  414    HA   SER  53           HA       SER  53  -9.811   8.785   7.434
  415   1HB   SER  53          1HB       SER  53 -10.808  10.266   5.600
  416   2HB   SER  53          2HB       SER  53 -12.355  10.097   6.429
  417    HG   SER  53           HG       SER  53 -10.476  11.815   6.961
  418    H    ARG  54           H        ARG  54 -10.284   8.597   9.586
  419    HA   ARG  54           HA       ARG  54 -12.989   7.545  10.331
  420   1HB   ARG  54          1HB       ARG  54 -10.562   6.415  10.694
  421   2HB   ARG  54          2HB       ARG  54 -10.627   7.399  12.156
  422   1HG   ARG  54          1HG       ARG  54 -12.363   6.188  13.054
  423   2HG   ARG  54          2HG       ARG  54 -13.073   5.841  11.477
  424   1HD   ARG  54          1HD       ARG  54 -12.013   3.837  11.392
  425   2HD   ARG  54          2HD       ARG  54 -10.448   4.607  11.719
  426    HE   ARG  54           HE       ARG  54 -12.198   3.371  13.708
  427   1HH1  ARG  54          1HH1      ARG  54  -9.788   5.814  13.122
  428   2HH1  ARG  54          2HH1      ARG  54  -9.266   5.850  14.770
  429   1HH2  ARG  54          1HH2      ARG  54 -11.502   3.435  15.841
  430   2HH2  ARG  54          2HH2      ARG  54 -10.227   4.515  16.299
  431    H    LYS  55           H        LYS  55 -13.202   8.129  12.920
  432    HA   LYS  55           HA       LYS  55 -13.467  11.020  12.980
  433   1HB   LYS  55          1HB       LYS  55 -13.905   8.769  14.976
  434   2HB   LYS  55          2HB       LYS  55 -14.340  10.445  15.308
  435   1HG   LYS  55          1HG       LYS  55 -15.385   9.805  12.742
  436   2HG   LYS  55          2HG       LYS  55 -15.813   8.478  13.822
  437   1HD   LYS  55          1HD       LYS  55 -16.817  10.025  15.406
  438   2HD   LYS  55          2HD       LYS  55 -16.265  11.408  14.462
  439   1HE   LYS  55          1HE       LYS  55 -17.626  10.170  12.520
  440   2HE   LYS  55          2HE       LYS  55 -18.515   9.513  13.907
  441   1HZ   LYS  55          1HZ       LYS  55 -18.811  11.737  14.758
  442   2HZ   LYS  55          2HZ       LYS  55 -19.395  11.680  13.164
  443   3HZ   LYS  55          3HZ       LYS  55 -17.889  12.393  13.491
  444    H    ASN  56           H        ASN  56 -11.081  11.352  12.688
  445    HA   ASN  56           HA       ASN  56  -9.202  10.711  14.784
  446   1HB   ASN  56          1HB       ASN  56 -10.664  12.257  16.016
  447   2HB   ASN  56          2HB       ASN  56  -9.116  13.045  15.713
  448   1HD2  ASN  56          1HD2      ASN  56 -12.540  13.208  15.093
  449   2HD2  ASN  56          2HD2      ASN  56 -12.503  14.583  14.098
  450    H    MET  57           H        MET  57  -9.427  10.835  11.818
  451    HA   MET  57           HA       MET  57  -8.032  13.086  10.727
  452   1HB   MET  57          1HB       MET  57  -5.745  11.974  10.579
  453   2HB   MET  57          2HB       MET  57  -6.210  12.466  12.204
  454   1HG   MET  57          1HG       MET  57  -7.154   9.777  11.583
  455   2HG   MET  57          2HG       MET  57  -5.403   9.908  11.412
  456   1HE   MET  57          1HE       MET  57  -3.760  10.340  13.148
  457   2HE   MET  57          2HE       MET  57  -4.072  10.978  14.762
  458   3HE   MET  57          3HE       MET  57  -4.399  11.972  13.342
  459    H    SER  58           H        SER  58  -6.482  11.968   8.765
  460    HA   SER  58           HA       SER  58  -8.366  10.082   7.387
  461   1HB   SER  58          1HB       SER  58  -6.439  12.028   6.092
  462   2HB   SER  58          2HB       SER  58  -7.867  11.278   5.379
  463    HG   SER  58           HG       SER  58  -7.727  13.595   6.578
  464    H    ALA  59           H        ALA  59  -7.328   8.489   5.972
  465    HA   ALA  59           HA       ALA  59  -4.392   8.151   6.258
  466   1HB   ALA  59          1HB       ALA  59  -6.565   6.532   7.527
  467   2HB   ALA  59          2HB       ALA  59  -4.945   6.892   8.128
  468   3HB   ALA  59          3HB       ALA  59  -5.175   5.648   6.898
  469    H    MET  60           H        MET  60  -3.514   6.814   4.584
  470    HA   MET  60           HA       MET  60  -5.331   6.383   2.276
  471   1HB   MET  60          1HB       MET  60  -2.439   6.739   2.813
  472   2HB   MET  60          2HB       MET  60  -2.810   5.624   1.502
  473   1HG   MET  60          1HG       MET  60  -3.910   8.441   1.740
  474   2HG   MET  60          2HG       MET  60  -2.556   7.975   0.712
  475   1HE   MET  60          1HE       MET  60  -2.411   6.839  -0.977
  476   2HE   MET  60          2HE       MET  60  -3.584   7.033  -2.280
  477   3HE   MET  60          3HE       MET  60  -3.457   5.493  -1.430
  478    H    ALA  61           H        ALA  61  -5.409   4.305   1.185
  479    HA   ALA  61           HA       ALA  61  -5.363   2.040   3.056
  480   1HB   ALA  61          1HB       ALA  61  -6.014   1.091   0.543
  481   2HB   ALA  61          2HB       ALA  61  -6.450   2.795   0.414
  482   3HB   ALA  61          3HB       ALA  61  -7.171   1.793   1.674
  483    H    LEU  62           H        LEU  62  -3.259   1.353   3.448
  484    HA   LEU  62           HA       LEU  62  -1.169   0.350   3.038
  485   1HB   LEU  62          1HB       LEU  62  -0.825   1.363   0.343
  486   2HB   LEU  62          2HB       LEU  62  -1.501   2.612   1.381
  487    HG   LEU  62           HG       LEU  62   0.996   0.985   1.966
  488   1HD1  LEU  62          1HD1      LEU  62   0.487   3.630   0.723
  489   2HD1  LEU  62          2HD1      LEU  62   1.874   2.558   0.545
  490   3HD1  LEU  62          3HD1      LEU  62   1.743   3.604   1.956
  491   1HD2  LEU  62          1HD2      LEU  62   1.087   2.922   3.768
  492   2HD2  LEU  62          2HD2      LEU  62   0.153   1.458   4.078
  493   3HD2  LEU  62          3HD2      LEU  62  -0.660   2.924   3.531
  494    H    GLY  63           H        GLY  63  -2.511  -1.711   2.832
  495   1HA   GLY  63          1HA       GLY  63  -1.613  -3.230   0.588
  496   2HA   GLY  63          2HA       GLY  63  -2.820  -3.770   1.752
  497    H    PHE  64           H        PHE  64  -4.588  -4.415   0.619
  498    HA   PHE  64           HA       PHE  64  -5.306  -3.082  -1.919
  499   1HB   PHE  64          1HB       PHE  64  -6.492  -5.406  -0.354
  500   2HB   PHE  64          2HB       PHE  64  -6.938  -4.961  -2.002
  501    HD1  PHE  64           HD1      PHE  64  -4.609  -6.775   0.063
  502    HD2  PHE  64           HD2      PHE  64  -5.103  -4.940  -3.790
  503    HE1  PHE  64           HE1      PHE  64  -2.704  -8.100  -0.813
  504    HE2  PHE  64           HE2      PHE  64  -3.198  -6.265  -4.665
  505    HZ   PHE  64           HZ       PHE  64  -1.998  -7.845  -3.177
  506    H    GLY  65           H        GLY  65  -5.595  -1.390   0.381
  507   1HA   GLY  65          1HA       GLY  65  -8.409  -1.410   1.180
  508   2HA   GLY  65          2HA       GLY  65  -7.216  -0.195   1.626
  509    H    ALA  66           H        ALA  66  -6.480   0.002  -1.340
  510    HA   ALA  66           HA       ALA  66  -8.493   2.070  -1.984
  511   1HB   ALA  66          1HB       ALA  66  -5.838   1.181  -3.161
  512   2HB   ALA  66          2HB       ALA  66  -6.134   2.604  -2.162
  513   3HB   ALA  66          3HB       ALA  66  -6.778   2.528  -3.802
  514    H    ILE  67           H        ILE  67  -6.962  -0.658  -3.749
  515    HA   ILE  67           HA       ILE  67  -8.519  -0.636  -6.063
  516    HB   ILE  67           HB       ILE  67  -7.975  -3.097  -6.102
  517   1HG1  ILE  67          1HG1      ILE  67  -6.321  -3.353  -3.868
  518   2HG1  ILE  67          2HG1      ILE  67  -7.777  -2.583  -3.238
  519   1HG2  ILE  67          1HG2      ILE  67  -5.961  -0.985  -5.402
  520   2HG2  ILE  67          2HG2      ILE  67  -6.215  -1.819  -6.936
  521   3HG2  ILE  67          3HG2      ILE  67  -5.426  -2.654  -5.597
  522   1HD1  ILE  67          1HD1      ILE  67  -8.647  -4.585  -5.043
  523   2HD1  ILE  67          2HD1      ILE  67  -8.803  -4.585  -3.287
  524   3HD1  ILE  67          3HD1      ILE  67  -7.393  -5.323  -4.047
  525    H    PHE  68           H        PHE  68  -9.527  -1.580  -2.845
  526    HA   PHE  68           HA       PHE  68 -11.631  -3.347  -3.282
  527   1HB   PHE  68          1HB       PHE  68 -10.951  -1.168  -1.386
  528   2HB   PHE  68          2HB       PHE  68 -12.650  -1.629  -1.400
  529    HD1  PHE  68           HD1      PHE  68 -12.487  -4.533  -2.009
  530    HD2  PHE  68           HD2      PHE  68 -10.093  -2.094   0.588
  531    HE1  PHE  68           HE1      PHE  68 -11.939  -6.527  -0.641
  532    HE2  PHE  68           HE2      PHE  68  -9.543  -4.086   1.956
  533    HZ   PHE  68           HZ       PHE  68 -10.465  -6.303   1.342
  534    H    ASN  69           H        ASN  69 -13.377  -3.236  -4.617
  535    HA   ASN  69           HA       ASN  69 -14.268  -0.601  -5.652
  536   1HB   ASN  69          1HB       ASN  69 -14.462  -3.495  -6.377
  537   2HB   ASN  69          2HB       ASN  69 -15.772  -2.449  -6.926
  538   1HD2  ASN  69          1HD2      ASN  69 -13.842  -3.677  -8.726
  539   2HD2  ASN  69          2HD2      ASN  69 -12.945  -2.425  -9.442
  540    H    HIS  70           H        HIS  70 -16.780  -0.473  -5.918
  541    HA   HIS  70           HA       HIS  70 -18.001  -1.102  -3.265
  542   1HB   HIS  70          1HB       HIS  70 -17.918   1.250  -4.025
  543   2HB   HIS  70          2HB       HIS  70 -18.762   0.806  -5.509
  544    HD1  HIS  70           HD1      HIS  70 -19.509  -0.166  -1.895
  545    HD2  HIS  70           HD2      HIS  70 -21.335   1.743  -5.119
  546    HE1  HIS  70           HE1      HIS  70 -21.884   0.339  -1.176
  547    H    SER  71           H        SER  71 -20.078  -2.135  -3.201
  548    HA   SER  71           HA       SER  71 -21.222  -3.115  -5.762
  549   1HB   SER  71          1HB       SER  71 -20.807  -5.375  -5.279
  550   2HB   SER  71          2HB       SER  71 -19.347  -4.615  -4.651
  551    HG   SER  71           HG       SER  71 -20.799  -6.150  -3.299
  552    H    LYS  72           H        LYS  72 -23.451  -3.384  -5.603
  553    HA   LYS  72           HA       LYS  72 -24.940  -2.230  -3.504
  554   1HB   LYS  72          1HB       LYS  72 -25.676  -4.460  -5.439
  555   2HB   LYS  72          2HB       LYS  72 -26.828  -3.429  -4.589
  556   1HG   LYS  72          1HG       LYS  72 -25.129  -1.589  -5.749
  557   2HG   LYS  72          2HG       LYS  72 -25.207  -2.856  -6.973
  558   1HD   LYS  72          1HD       LYS  72 -27.440  -2.511  -7.380
  559   2HD   LYS  72          2HD       LYS  72 -27.783  -2.072  -5.707
  560   1HE   LYS  72          1HE       LYS  72 -26.802   0.140  -6.036
  561   2HE   LYS  72          2HE       LYS  72 -26.289  -0.300  -7.676
  562   1HZ   LYS  72          1HZ       LYS  72 -29.092  -0.302  -6.671
  563   2HZ   LYS  72          2HZ       LYS  72 -28.604  -0.735  -8.239
  564   3HZ   LYS  72          3HZ       LYS  72 -28.422   0.867  -7.706
  565    H    ASP  73           H        ASP  73 -23.555  -5.435  -3.767
  566    HA   ASP  73           HA       ASP  73 -24.837  -6.153  -1.149
  567   1HB   ASP  73          1HB       ASP  73 -24.667  -8.506  -2.016
  568   2HB   ASP  73          2HB       ASP  73 -25.687  -7.482  -3.028
  569    HA   PRO  74           HA       PRO  74 -20.220  -5.899  -0.676
  570   1HB   PRO  74          1HB       PRO  74 -20.428  -5.071   1.982
  571   2HB   PRO  74          2HB       PRO  74 -20.262  -3.981   0.594
  572   1HG   PRO  74          1HG       PRO  74 -22.684  -4.742   2.132
  573   2HG   PRO  74          2HG       PRO  74 -22.265  -3.200   1.374
  574   1HD   PRO  74          1HD       PRO  74 -24.061  -4.936   0.313
  575   2HD   PRO  74          2HD       PRO  74 -23.066  -3.847  -0.677
  576    H    ASN  75           H        ASN  75 -19.947  -8.166  -0.651
  577    HA   ASN  75           HA       ASN  75 -21.065  -9.836   1.470
  578   1HB   ASN  75          1HB       ASN  75 -18.989 -10.284  -0.707
  579   2HB   ASN  75          2HB       ASN  75 -19.693 -11.567   0.275
  580   1HD2  ASN  75          1HD2      ASN  75 -21.877 -12.224  -0.192
  581   2HD2  ASN  75          2HD2      ASN  75 -22.742 -11.633  -1.527
  582    H    ALA  76           H        ALA  76 -18.187  -7.943   1.077
  583    HA   ALA  76           HA       ALA  76 -17.101  -9.135   3.599
  584   1HB   ALA  76          1HB       ALA  76 -14.861  -9.035   2.550
  585   2HB   ALA  76          2HB       ALA  76 -15.575  -8.376   1.078
  586   3HB   ALA  76          3HB       ALA  76 -15.949 -10.026   1.578
  587    H    ARG  77           H        ARG  77 -15.368  -7.595   4.530
  588    HA   ARG  77           HA       ARG  77 -15.751  -4.749   3.771
  589   1HB   ARG  77          1HB       ARG  77 -17.313  -5.984   5.702
  590   2HB   ARG  77          2HB       ARG  77 -16.023  -5.258   6.661
  591   1HG   ARG  77          1HG       ARG  77 -16.442  -3.081   5.551
  592   2HG   ARG  77          2HG       ARG  77 -17.756  -3.814   4.632
  593   1HD   ARG  77          1HD       ARG  77 -18.751  -4.479   6.926
  594   2HD   ARG  77          2HD       ARG  77 -17.609  -3.306   7.611
  595    HE   ARG  77           HE       ARG  77 -18.891  -1.574   6.626
  596   1HH1  ARG  77          1HH1      ARG  77 -19.655  -4.653   5.194
  597   2HH1  ARG  77          2HH1      ARG  77 -20.959  -4.016   4.253
  598   1HH2  ARG  77          1HH2      ARG  77 -20.588  -0.770   5.395
  599   2HH2  ARG  77          2HH2      ARG  77 -21.485  -1.835   4.364
  600    H    HIS  78           H        HIS  78 -14.531  -3.652   6.061
  601    HA   HIS  78           HA       HIS  78 -11.845  -4.992   6.112
  602   1HB   HIS  78          1HB       HIS  78 -10.931  -2.650   6.037
  603   2HB   HIS  78          2HB       HIS  78 -11.833  -3.083   4.614
  604    HD1  HIS  78           HD1      HIS  78 -14.136  -1.949   4.209
  605    HD2  HIS  78           HD2      HIS  78 -12.193  -0.690   7.676
  606    HE1  HIS  78           HE1      HIS  78 -15.383   0.098   5.026
  607    H    GLU  79           H        GLU  79 -10.505  -3.485   7.830
  608    HA   GLU  79           HA       GLU  79 -12.219  -2.761  10.061
  609   1HB   GLU  79          1HB       GLU  79 -11.489  -5.338   9.943
  610   2HB   GLU  79          2HB       GLU  79 -10.023  -4.705  10.686
  611   1HG   GLU  79          1HG       GLU  79 -11.342  -3.713  12.501
  612   2HG   GLU  79          2HG       GLU  79 -12.832  -4.280  11.747
  613    H    LEU  80           H        LEU  80 -10.784  -1.931  11.961
  614    HA   LEU  80           HA       LEU  80  -8.152  -0.896  11.000
  615   1HB   LEU  80          1HB       LEU  80 -10.664   0.550  11.590
  616   2HB   LEU  80          2HB       LEU  80  -9.235   1.240  12.352
  617    HG   LEU  80           HG       LEU  80  -9.044   0.443   9.478
  618   1HD1  LEU  80          1HD1      LEU  80 -10.027   3.193  10.065
  619   2HD1  LEU  80          2HD1      LEU  80 -11.216   1.893  10.135
  620   3HD1  LEU  80          3HD1      LEU  80 -10.307   2.178   8.651
  621   1HD2  LEU  80          1HD2      LEU  80  -7.050   1.396   9.988
  622   2HD2  LEU  80          2HD2      LEU  80  -7.696   2.170  11.436
  623   3HD2  LEU  80          3HD2      LEU  80  -7.916   2.927   9.858
  624    H    THR  81           H        THR  81  -6.649  -1.307  12.574
  625    HA   THR  81           HA       THR  81  -7.203  -2.440  15.091
  626    HB   THR  81           HB       THR  81  -5.054  -2.523  13.908
  627    HG1  THR  81           HG1      THR  81  -4.766  -2.901  16.019
  628   1HG2  THR  81          1HG2      THR  81  -3.894  -0.651  13.330
  629   2HG2  THR  81          2HG2      THR  81  -4.333   0.196  14.813
  630   3HG2  THR  81          3HG2      THR  81  -5.479   0.105  13.479
  631    H    ALA  82           H        ALA  82  -5.944  -1.058  17.071
  632    HA   ALA  82           HA       ALA  82  -7.908   0.825  17.956
  633   1HB   ALA  82          1HB       ALA  82  -5.825  -0.631  19.006
  634   2HB   ALA  82          2HB       ALA  82  -6.686   0.633  19.885
  635   3HB   ALA  82          3HB       ALA  82  -5.169   1.006  19.066
  636    H    GLY  83           H        GLY  83  -8.079   2.440  16.255
  637   1HA   GLY  83          1HA       GLY  83  -7.604   4.761  15.816
  638   2HA   GLY  83          2HA       GLY  83  -5.981   4.525  16.465
  639    H    LEU  84           H        LEU  84  -6.551   5.771  13.941
  640    HA   LEU  84           HA       LEU  84  -6.355   4.121  11.656
  641   1HB   LEU  84          1HB       LEU  84  -5.899   6.889  12.468
  642   2HB   LEU  84          2HB       LEU  84  -4.775   6.399  11.203
  643    HG   LEU  84           HG       LEU  84  -6.646   5.638   9.806
  644   1HD1  LEU  84          1HD1      LEU  84  -8.785   6.849  11.358
  645   2HD1  LEU  84          2HD1      LEU  84  -8.016   5.536  12.248
  646   3HD1  LEU  84          3HD1      LEU  84  -8.700   5.235  10.650
  647   1HD2  LEU  84          1HD2      LEU  84  -7.828   8.203  10.390
  648   2HD2  LEU  84          2HD2      LEU  84  -6.804   7.745   9.030
  649   3HD2  LEU  84          3HD2      LEU  84  -6.074   8.313  10.530
  650    H    LYS  85           H        LYS  85  -4.881   2.429  11.616
  651    HA   LYS  85           HA       LYS  85  -2.007   3.127  11.638
  652   1HB   LYS  85          1HB       LYS  85  -3.494   1.766  13.790
  653   2HB   LYS  85          2HB       LYS  85  -2.064   0.882  13.259
  654   1HG   LYS  85          1HG       LYS  85  -2.034   3.827  13.961
  655   2HG   LYS  85          2HG       LYS  85  -1.645   2.553  15.117
  656   1HD   LYS  85          1HD       LYS  85   0.416   2.260  14.235
  657   2HD   LYS  85          2HD       LYS  85  -0.219   2.218  12.590
  658   1HE   LYS  85          1HE       LYS  85  -0.485   4.903  13.471
  659   2HE   LYS  85          2HE       LYS  85   1.149   4.380  13.918
  660   1HZ   LYS  85          1HZ       LYS  85  -0.033   3.736  11.280
  661   2HZ   LYS  85          2HZ       LYS  85   1.603   3.707  11.736
  662   3HZ   LYS  85          3HZ       LYS  85   0.802   5.192  11.538
  663    H    ARG  86           H        ARG  86  -4.241   0.316  11.679
  664    HA   ARG  86           HA       ARG  86  -2.852  -0.691   9.220
  665   1HB   ARG  86          1HB       ARG  86  -3.132  -1.815  11.917
  666   2HB   ARG  86          2HB       ARG  86  -3.698  -2.923  10.666
  667   1HG   ARG  86          1HG       ARG  86  -1.604  -3.193   9.775
  668   2HG   ARG  86          2HG       ARG  86  -1.137  -1.526  10.109
  669   1HD   ARG  86          1HD       ARG  86  -0.369  -2.030  12.229
  670   2HD   ARG  86          2HD       ARG  86  -1.570  -3.314  12.467
  671    HE   ARG  86           HE       ARG  86   0.308  -3.933  10.329
  672   1HH1  ARG  86          1HH1      ARG  86  -0.200  -3.970  13.773
  673   2HH1  ARG  86          2HH1      ARG  86   0.920  -5.262  14.035
  674   1HH2  ARG  86          1HH2      ARG  86   1.755  -5.609  10.694
  675   2HH2  ARG  86          2HH2      ARG  86   2.019  -6.185  12.306
  676    H    MET  87           H        MET  87  -4.269  -2.408   8.112
  677    HA   MET  87           HA       MET  87  -7.183  -1.978   8.620
  678   1HB   MET  87          1HB       MET  87  -5.535  -0.983   6.437
  679   2HB   MET  87          2HB       MET  87  -6.819  -2.025   5.824
  680   1HG   MET  87          1HG       MET  87  -8.344  -0.656   7.462
  681   2HG   MET  87          2HG       MET  87  -7.045   0.535   7.389
  682   1HE   MET  87          1HE       MET  87  -8.946  -1.942   5.614
  683   2HE   MET  87          2HE       MET  87  -8.569  -1.643   3.918
  684   3HE   MET  87          3HE       MET  87 -10.053  -0.997   4.618
  685    H    ARG  88           H        ARG  88  -8.317  -3.879   8.444
  686    HA   ARG  88           HA       ARG  88  -6.905  -6.228   7.221
  687   1HB   ARG  88          1HB       ARG  88  -9.025  -6.063   9.396
  688   2HB   ARG  88          2HB       ARG  88  -8.211  -7.534   8.866
  689   1HG   ARG  88          1HG       ARG  88  -6.303  -7.040  10.013
  690   2HG   ARG  88          2HG       ARG  88  -6.409  -5.319   9.641
  691   1HD   ARG  88          1HD       ARG  88  -7.142  -4.996  11.766
  692   2HD   ARG  88          2HD       ARG  88  -8.616  -5.881  11.327
  693    HE   ARG  88           HE       ARG  88  -6.622  -7.825  11.767
  694   1HH1  ARG  88          1HH1      ARG  88  -8.244  -5.329  13.573
  695   2HH1  ARG  88          2HH1      ARG  88  -8.085  -6.164  15.079
  696   1HH2  ARG  88          1HH2      ARG  88  -6.430  -8.889  13.735
  697   2HH2  ARG  88          2HH2      ARG  88  -7.067  -8.163  15.173
  698    H    ILE  89           H        ILE  89  -8.656  -7.959   6.560
  699    HA   ILE  89           HA       ILE  89 -11.027  -6.617   5.316
  700    HB   ILE  89           HB       ILE  89  -9.012  -8.510   4.048
  701   1HG1  ILE  89          1HG1      ILE  89  -9.757  -5.674   3.288
  702   2HG1  ILE  89          2HG1      ILE  89  -8.376  -6.074   4.309
  703   1HG2  ILE  89          1HG2      ILE  89 -11.522  -7.269   2.879
  704   2HG2  ILE  89          2HG2      ILE  89 -11.328  -8.971   3.299
  705   3HG2  ILE  89          3HG2      ILE  89 -10.361  -8.267   2.003
  706   1HD1  ILE  89          1HD1      ILE  89  -7.145  -6.809   2.548
  707   2HD1  ILE  89          2HD1      ILE  89  -8.310  -5.930   1.557
  708   3HD1  ILE  89          3HD1      ILE  89  -8.515  -7.660   1.834
  709    H    PHE  90           H        PHE  90 -12.731  -7.650   6.308
  710    HA   PHE  90           HA       PHE  90 -12.496 -10.578   6.874
  711   1HB   PHE  90          1HB       PHE  90 -14.121  -8.267   7.953
  712   2HB   PHE  90          2HB       PHE  90 -14.579  -9.932   8.301
  713    HD1  PHE  90           HD1      PHE  90 -13.172 -11.367   9.690
  714    HD2  PHE  90           HD2      PHE  90 -12.050  -7.310   8.833
  715    HE1  PHE  90           HE1      PHE  90 -11.471 -11.457  11.493
  716    HE2  PHE  90           HE2      PHE  90 -10.349  -7.400  10.636
  717    HZ   PHE  90           HZ       PHE  90 -10.060  -9.473  11.965
  718    H    THR  91           H        THR  91 -14.781 -11.679   6.730
  719    HA   THR  91           HA       THR  91 -16.138 -10.777   4.209
  720    HB   THR  91           HB       THR  91 -16.534 -13.364   4.051
  721    HG1  THR  91           HG1      THR  91 -15.216 -14.582   5.251
  722   1HG2  THR  91          1HG2      THR  91 -14.620 -11.646   3.022
  723   2HG2  THR  91          2HG2      THR  91 -14.895 -13.305   2.490
  724   3HG2  THR  91          3HG2      THR  91 -13.652 -12.959   3.693
  725    H    ILE  92           H        ILE  92 -17.716  -9.654   5.590
  726    HA   ILE  92           HA       ILE  92 -19.177 -10.675   7.738
  727    HB   ILE  92           HB       ILE  92 -20.902  -9.066   6.981
  728   1HG1  ILE  92          1HG1      ILE  92 -19.291  -8.905   4.417
  729   2HG1  ILE  92          2HG1      ILE  92 -20.807  -9.794   4.571
  730   1HG2  ILE  92          1HG2      ILE  92 -19.526  -7.385   7.584
  731   2HG2  ILE  92          2HG2      ILE  92 -18.618  -7.518   6.077
  732   3HG2  ILE  92          3HG2      ILE  92 -18.186  -8.525   7.459
  733   1HD1  ILE  92          1HD1      ILE  92 -21.984  -7.894   4.301
  734   2HD1  ILE  92          2HD1      ILE  92 -20.471  -7.026   4.039
  735   3HD1  ILE  92          3HD1      ILE  92 -21.145  -7.152   5.664
  736    H    LYS  93           H        LYS  93 -19.403 -11.588   4.355
  737    HA   LYS  93           HA       LYS  93 -21.531 -13.557   5.105
  738   1HB   LYS  93          1HB       LYS  93 -21.343 -11.804   2.627
  739   2HB   LYS  93          2HB       LYS  93 -22.572 -13.039   2.893
  740   1HG   LYS  93          1HG       LYS  93 -22.513 -11.394   5.216
  741   2HG   LYS  93          2HG       LYS  93 -22.545 -10.323   3.815
  742   1HD   LYS  93          1HD       LYS  93 -24.384 -12.130   3.021
  743   2HD   LYS  93          2HD       LYS  93 -24.590 -12.267   4.767
  744   1HE   LYS  93          1HE       LYS  93 -24.598  -9.609   3.298
  745   2HE   LYS  93          2HE       LYS  93 -26.070 -10.510   3.710
  746   1HZ   LYS  93          1HZ       LYS  93 -25.461  -8.931   5.466
  747   2HZ   LYS  93          2HZ       LYS  93 -23.950  -9.688   5.632
  748   3HZ   LYS  93          3HZ       LYS  93 -25.370 -10.534   6.021
  749    HA   PRO  94           HA       PRO  94 -18.689 -16.540   3.463
  750   1HB   PRO  94          1HB       PRO  94 -21.236 -17.778   2.548
  751   2HB   PRO  94          2HB       PRO  94 -19.846 -18.529   3.349
  752   1HG   PRO  94          1HG       PRO  94 -21.999 -17.933   4.698
  753   2HG   PRO  94          2HG       PRO  94 -20.428 -17.666   5.404
  754   1HD   PRO  94          1HD       PRO  94 -22.392 -15.709   4.329
  755   2HD   PRO  94          2HD       PRO  94 -21.242 -15.542   5.673
  756    H    ILE  95           H        ILE  95 -17.869 -17.112   1.331
  757    HA   ILE  95           HA       ILE  95 -19.345 -15.863  -0.961
  758    HB   ILE  95           HB       ILE  95 -16.390 -15.765  -0.253
  759   1HG1  ILE  95          1HG1      ILE  95 -18.508 -13.603  -0.472
  760   2HG1  ILE  95          2HG1      ILE  95 -17.828 -14.222   1.032
  761   1HG2  ILE  95          1HG2      ILE  95 -16.792 -14.011  -2.337
  762   2HG2  ILE  95          2HG2      ILE  95 -17.840 -15.357  -2.787
  763   3HG2  ILE  95          3HG2      ILE  95 -16.121 -15.634  -2.506
  764   1HD1  ILE  95          1HD1      ILE  95 -15.590 -13.462   0.345
  765   2HD1  ILE  95          2HD1      ILE  95 -16.728 -12.114   0.346
  766   3HD1  ILE  95          3HD1      ILE  95 -16.253 -12.867  -1.178
  767    H    ALA  96           H        ALA  96 -19.122 -16.964  -2.955
  768    HA   ALA  96           HA       ALA  96 -18.229 -19.787  -2.731
  769   1HB   ALA  96          1HB       ALA  96 -19.680 -18.276  -4.935
  770   2HB   ALA  96          2HB       ALA  96 -20.490 -19.084  -3.592
  771   3HB   ALA  96          3HB       ALA  96 -19.574 -20.030  -4.766
  772    H    ILE  97           H        ILE  97 -16.858 -20.707  -4.431
  773    HA   ILE  97           HA       ILE  97 -14.562 -19.138  -5.093
  774    HB   ILE  97           HB       ILE  97 -15.694 -21.724  -6.224
  775   1HG1  ILE  97          1HG1      ILE  97 -13.419 -21.466  -4.274
  776   2HG1  ILE  97          2HG1      ILE  97 -15.085 -21.415  -3.696
  777   1HG2  ILE  97          1HG2      ILE  97 -13.996 -21.676  -7.700
  778   2HG2  ILE  97          2HG2      ILE  97 -12.863 -21.664  -6.349
  779   3HG2  ILE  97          3HG2      ILE  97 -13.428 -20.143  -7.040
  780   1HD1  ILE  97          1HD1      ILE  97 -15.415 -23.631  -4.094
  781   2HD1  ILE  97          2HD1      ILE  97 -13.654 -23.722  -4.091
  782   3HD1  ILE  97          3HD1      ILE  97 -14.527 -23.584  -5.617
  783    H    GLY  98           H        GLY  98 -14.732 -17.387  -6.463
  784   1HA   GLY  98          1HA       GLY  98 -14.712 -16.848  -8.906
  785   2HA   GLY  98          2HA       GLY  98 -16.170 -17.828  -9.049
  786    H    GLU  99           H        GLU  99 -15.685 -15.693  -6.311
  787    HA   GLU  99           HA       GLU  99 -17.963 -14.028  -7.312
  788   1HB   GLU  99          1HB       GLU  99 -16.841 -14.757  -4.599
  789   2HB   GLU  99          2HB       GLU  99 -17.997 -13.440  -4.783
  790   1HG   GLU  99          1HG       GLU  99 -18.421 -16.341  -5.554
  791   2HG   GLU  99          2HG       GLU  99 -19.190 -15.491  -4.218
  792    H    GLU 100           H        GLU 100 -17.754 -11.708  -6.100
  793    HA   GLU 100           HA       GLU 100 -14.979 -10.706  -6.655
  794   1HB   GLU 100          1HB       GLU 100 -17.175 -10.166  -8.116
  795   2HB   GLU 100          2HB       GLU 100 -17.387  -8.940  -6.866
  796   1HG   GLU 100          1HG       GLU 100 -14.672  -8.795  -7.523
  797   2HG   GLU 100          2HG       GLU 100 -15.483  -9.015  -9.073
  798    H    ILE 101           H        ILE 101 -14.033  -9.905  -4.828
  799    HA   ILE 101           HA       ILE 101 -15.686  -9.353  -2.446
  800    HB   ILE 101           HB       ILE 101 -12.694  -9.312  -2.985
  801   1HG1  ILE 101          1HG1      ILE 101 -14.418 -11.398  -1.619
  802   2HG1  ILE 101          2HG1      ILE 101 -13.831 -11.522  -3.277
  803   1HG2  ILE 101          1HG2      ILE 101 -12.350  -9.062  -0.678
  804   2HG2  ILE 101          2HG2      ILE 101 -13.991  -9.576  -0.283
  805   3HG2  ILE 101          3HG2      ILE 101 -13.710  -7.979  -0.976
  806   1HD1  ILE 101          1HD1      ILE 101 -11.557 -11.621  -2.572
  807   2HD1  ILE 101          2HD1      ILE 101 -12.426 -12.698  -1.478
  808   3HD1  ILE 101          3HD1      ILE 101 -11.962 -11.083  -0.942
  809    H    THR 102           H        THR 102 -16.237  -7.325  -1.809
  810    HA   THR 102           HA       THR 102 -14.643  -4.967  -2.613
  811    HB   THR 102           HB       THR 102 -16.996  -4.036  -3.436
  812    HG1  THR 102           HG1      THR 102 -18.373  -5.623  -3.206
  813   1HG2  THR 102          1HG2      THR 102 -15.708  -6.029  -5.280
  814   2HG2  THR 102          2HG2      THR 102 -14.788  -4.628  -4.731
  815   3HG2  THR 102          3HG2      THR 102 -16.288  -4.401  -5.633
  816    H    ILE 103           H        ILE 103 -14.961  -3.252  -1.136
  817    HA   ILE 103           HA       ILE 103 -16.765  -3.866   1.168
  818    HB   ILE 103           HB       ILE 103 -15.246  -2.285   2.352
  819   1HG1  ILE 103          1HG1      ILE 103 -13.160  -2.100   0.408
  820   2HG1  ILE 103          2HG1      ILE 103 -14.646  -1.504  -0.332
  821   1HG2  ILE 103          1HG2      ILE 103 -13.430  -3.774   2.498
  822   2HG2  ILE 103          2HG2      ILE 103 -13.515  -4.190   0.786
  823   3HG2  ILE 103          3HG2      ILE 103 -14.735  -4.800   1.904
  824   1HD1  ILE 103          1HD1      ILE 103 -13.378  -0.567   2.256
  825   2HD1  ILE 103          2HD1      ILE 103 -14.998  -0.095   1.742
  826   3HD1  ILE 103          3HD1      ILE 103 -13.597   0.365   0.775
  827    H    SER 104           H        SER 104 -17.938  -2.009   2.124
  828    HA   SER 104           HA       SER 104 -19.002  -0.216   0.013
  829   1HB   SER 104          1HB       SER 104 -20.488  -1.566   1.470
  830   2HB   SER 104          2HB       SER 104 -19.813  -0.771   2.892
  831    HG   SER 104           HG       SER 104 -21.851   0.084   1.938
  832    H    TYR 105           H        TYR 105 -19.799   1.979   1.415
  833    HA   TYR 105           HA       TYR 105 -17.258   3.120   2.534
  834   1HB   TYR 105          1HB       TYR 105 -19.382   4.377   0.755
  835   2HB   TYR 105          2HB       TYR 105 -17.957   5.212   1.372
  836    HD1  TYR 105           HD1      TYR 105 -19.124   3.988  -1.531
  837    HD2  TYR 105           HD2      TYR 105 -15.788   3.349   1.099
  838    HE1  TYR 105           HE1      TYR 105 -17.792   3.115  -3.432
  839    HE2  TYR 105           HE2      TYR 105 -14.457   2.476  -0.802
  840    HH   TYR 105           HH       TYR 105 -14.697   1.587  -2.956
  841    H    GLY 106           H        GLY 106 -20.653   4.221   2.228
  842   1HA   GLY 106          1HA       GLY 106 -22.216   4.570   4.006
  843   2HA   GLY 106          2HA       GLY 106 -20.936   4.221   5.168
  844    H    ASP 107           H        ASP 107 -21.938   6.259   6.150
  845    HA   ASP 107           HA       ASP 107 -21.764   8.552   6.651
  846   1HB   ASP 107          1HB       ASP 107 -19.430   7.906   6.861
  847   2HB   ASP 107          2HB       ASP 107 -19.203   8.010   5.118
  848    H    ASP 108           H        ASP 108 -19.975   8.987   3.631
  849    HA   ASP 108           HA       ASP 108 -22.402  10.256   2.422
  850   1HB   ASP 108          1HB       ASP 108 -20.523  11.693   3.667
  851   2HB   ASP 108          2HB       ASP 108 -19.688  11.499   2.126
  852    H    TYR 109           H        TYR 109 -19.139   8.919   1.897
  853    HA   TYR 109           HA       TYR 109 -18.876   9.051  -0.869
  854   1HB   TYR 109          1HB       TYR 109 -17.985   7.365   1.356
  855   2HB   TYR 109          2HB       TYR 109 -18.024   6.486  -0.173
  856    HD1  TYR 109           HD1      TYR 109 -17.342  10.103   0.521
  857    HD2  TYR 109           HD2      TYR 109 -15.793   6.360  -0.910
  858    HE1  TYR 109           HE1      TYR 109 -15.252  11.237  -0.184
  859    HE2  TYR 109           HE2      TYR 109 -13.704   7.495  -1.616
  860    HH   TYR 109           HH       TYR 109 -12.521   9.928  -0.654
  861    H    TRP 110           H        TRP 110 -20.316   8.503  -2.434
  862    HA   TRP 110           HA       TRP 110 -21.982   7.332  -3.613
  863   1HB   TRP 110          1HB       TRP 110 -20.172   5.635  -3.452
  864   2HB   TRP 110          2HB       TRP 110 -20.834   5.087  -1.913
  865    HD1  TRP 110           HD1      TRP 110 -23.101   3.733  -1.948
  866    HE1  TRP 110           HE1      TRP 110 -24.366   2.510  -3.834
  867    HE3  TRP 110           HE3      TRP 110 -20.730   5.702  -6.017
  868    HZ2  TRP 110           HZ2      TRP 110 -24.370   2.386  -6.693
  869    HZ3  TRP 110           HZ3      TRP 110 -21.382   5.016  -8.307
  870    HH2  TRP 110           HH2      TRP 110 -23.197   3.363  -8.650
  871    H    LEU 111           H        LEU 111 -24.035   5.994  -3.257
  872    HA   LEU 111           HA       LEU 111 -25.638   7.113  -1.192
  873   1HB   LEU 111          1HB       LEU 111 -25.792   5.137  -3.342
  874   2HB   LEU 111          2HB       LEU 111 -26.793   4.677  -1.965
  875    HG   LEU 111           HG       LEU 111 -26.995   7.528  -2.613
  876   1HD1  LEU 111          1HD1      LEU 111 -27.978   7.403  -4.738
  877   2HD1  LEU 111          2HD1      LEU 111 -28.270   5.669  -4.606
  878   3HD1  LEU 111          3HD1      LEU 111 -26.635   6.268  -4.882
  879   1HD2  LEU 111          1HD2      LEU 111 -28.454   5.929  -1.140
  880   2HD2  LEU 111          2HD2      LEU 111 -29.207   5.489  -2.673
  881   3HD2  LEU 111          3HD2      LEU 111 -29.256   7.161  -2.114
  882    H    SER 112           H        SER 112 -26.975   5.229   0.169
  883    HA   SER 112           HA       SER 112 -25.160   3.273   1.413
  884   1HB   SER 112          1HB       SER 112 -25.232   5.931   2.309
  885   2HB   SER 112          2HB       SER 112 -26.254   5.059   3.452
  886    HG   SER 112           HG       SER 112 -24.532   3.565   3.707
  887    H    ARG 113           H        ARG 113 -28.255   5.034   1.622
  888    HA   ARG 113           HA       ARG 113 -29.710   3.347   3.269
  889   1HB   ARG 113          1HB       ARG 113 -30.157   5.445   1.460
  890   2HB   ARG 113          2HB       ARG 113 -31.285   4.167   1.011
  891   1HG   ARG 113          1HG       ARG 113 -32.597   4.884   2.702
  892   2HG   ARG 113          2HG       ARG 113 -31.387   4.225   3.803
  893   1HD   ARG 113          1HD       ARG 113 -31.222   7.026   2.639
  894   2HD   ARG 113          2HD       ARG 113 -31.925   6.663   4.227
  895    HE   ARG 113           HE       ARG 113 -29.416   5.355   4.109
  896   1HH1  ARG 113          1HH1      ARG 113 -30.689   8.595   4.057
  897   2HH1  ARG 113          2HH1      ARG 113 -29.275   9.279   4.781
  898   1HH2  ARG 113          1HH2      ARG 113 -27.593   6.268   5.048
  899   2HH2  ARG 113          2HH2      ARG 113 -27.535   7.974   5.339
  900    HA   PRO 114           HA       PRO 114 -30.886   0.752  -0.716
  901   1HB   PRO 114          1HB       PRO 114 -28.262   1.041  -2.104
  902   2HB   PRO 114          2HB       PRO 114 -29.896   1.009  -2.789
  903   1HG   PRO 114          1HG       PRO 114 -28.450   3.271  -2.579
  904   2HG   PRO 114          2HG       PRO 114 -30.215   3.248  -2.462
  905   1HD   PRO 114          1HD       PRO 114 -28.192   3.612  -0.320
  906   2HD   PRO 114          2HD       PRO 114 -29.854   4.206  -0.409
  907    H    ARG 115           H        ARG 115 -30.645  -0.873   0.897
  908    HA   ARG 115           HA       ARG 115 -27.921  -1.942   1.424
  909   1HB   ARG 115          1HB       ARG 115 -30.432  -1.648   2.813
  910   2HB   ARG 115          2HB       ARG 115 -29.985  -3.354   2.797
  911   1HG   ARG 115          1HG       ARG 115 -28.724  -2.763   4.610
  912   2HG   ARG 115          2HG       ARG 115 -27.580  -2.226   3.380
  913   1HD   ARG 115          1HD       ARG 115 -29.113  -0.011   3.511
  914   2HD   ARG 115          2HD       ARG 115 -29.335  -0.607   5.167
  915    HE   ARG 115           HE       ARG 115 -26.560  -0.772   4.342
  916   1HH1  ARG 115          1HH1      ARG 115 -29.029   1.398   5.490
  917   2HH1  ARG 115          2HH1      ARG 115 -27.894   2.484   6.211
  918   1HH2  ARG 115          1HH2      ARG 115 -25.106   0.655   5.287
  919   2HH2  ARG 115          2HH2      ARG 115 -25.689   2.070   6.098
  920    H    LEU 116           H        LEU 116 -30.943  -2.781  -0.174
  921    HA   LEU 116           HA       LEU 116 -31.522  -4.616  -1.534
  922   1HB   LEU 116          1HB       LEU 116 -28.635  -4.075  -1.803
  923   2HB   LEU 116          2HB       LEU 116 -29.095  -5.709  -2.282
  924    HG   LEU 116           HG       LEU 116 -31.079  -4.343  -3.484
  925   1HD1  LEU 116          1HD1      LEU 116 -30.628  -2.158  -3.933
  926   2HD1  LEU 116          2HD1      LEU 116 -28.907  -2.465  -4.164
  927   3HD1  LEU 116          3HD1      LEU 116 -29.557  -2.267  -2.536
  928   1HD2  LEU 116          1HD2      LEU 116 -29.708  -5.864  -4.710
  929   2HD2  LEU 116          2HD2      LEU 116 -28.264  -4.884  -4.452
  930   3HD2  LEU 116          3HD2      LEU 116 -29.537  -4.313  -5.532
  931    H    THR 117           H        THR 117 -28.525  -6.168  -0.460
  932    HA   THR 117           HA       THR 117 -29.757  -8.606   0.295
  933    HB   THR 117           HB       THR 117 -27.209  -7.297   1.321
  934    HG1  THR 117           HG1      THR 117 -26.345  -7.842  -0.528
  935   1HG2  THR 117          1HG2      THR 117 -26.476  -9.733   1.443
  936   2HG2  THR 117          2HG2      THR 117 -28.169 -10.166   1.204
  937   3HG2  THR 117          3HG2      THR 117 -27.686  -9.249   2.631
  938    H    GLN 118           H        GLN 118 -30.128  -9.471   2.468
  939    HA   GLN 118           HA       GLN 118 -31.081  -9.325   4.626
  940   1HB   GLN 118          1HB       GLN 118 -28.691  -7.691   4.406
  941   2HB   GLN 118          2HB       GLN 118 -29.800  -6.990   5.585
  942   1HG   GLN 118          1HG       GLN 118 -30.012  -9.344   6.568
  943   2HG   GLN 118          2HG       GLN 118 -28.629  -9.779   5.564
  944   1HE2  GLN 118          1HE2      GLN 118 -27.209  -7.250   5.790
  945   2HE2  GLN 118          2HE2      GLN 118 -26.668  -7.109   7.393
  946    H    ASN 119           H        ASN 119 -32.122  -7.531   6.187
  947    HA   ASN 119           HA       ASN 119 -33.919  -5.898   4.450
  948   1HB   ASN 119          1HB       ASN 119 -34.642  -7.713   6.169
  949   2HB   ASN 119          2HB       ASN 119 -34.228  -6.516   7.396
  950   1HD2  ASN 119          1HD2      ASN 119 -36.898  -7.269   7.256
  951   2HD2  ASN 119          2HD2      ASN 119 -37.828  -6.024   6.571
  952   1H    GLY 201          1H        GLY 201 -28.567  24.488 -19.207
  953   2H    GLY 201          2H        GLY 201 -27.701  25.848 -18.670
  954   3H    GLY 201          3H        GLY 201 -29.397  25.825 -18.568
  955   1HA   GLY 201          1HA       GLY 201 -29.330  24.068 -16.939
  956   2HA   GLY 201          2HA       GLY 201 -27.573  24.015 -17.078
  957    H    LYS 202           H        LYS 202 -29.953  25.150 -15.138
  958    HA   LYS 202           HA       LYS 202 -28.305  27.503 -14.267
  959   1HB   LYS 202          1HB       LYS 202 -30.477  28.511 -13.612
  960   2HB   LYS 202          2HB       LYS 202 -30.469  28.095 -15.325
  961   1HG   LYS 202          1HG       LYS 202 -31.347  25.789 -13.909
  962   2HG   LYS 202          2HG       LYS 202 -32.244  27.163 -13.264
  963   1HD   LYS 202          1HD       LYS 202 -32.165  27.533 -16.066
  964   2HD   LYS 202          2HD       LYS 202 -32.552  25.832 -15.811
  965   1HE   LYS 202          1HE       LYS 202 -34.392  26.478 -14.283
  966   2HE   LYS 202          2HE       LYS 202 -34.004  28.189 -14.549
  967   1HZ   LYS 202          1HZ       LYS 202 -34.200  27.672 -16.992
  968   2HZ   LYS 202          2HZ       LYS 202 -35.662  27.635 -16.128
  969   3HZ   LYS 202          3HZ       LYS 202 -34.890  26.184 -16.553
  970    H    ALA 203           H        ALA 203 -28.099  24.701 -13.342
  971    HA   ALA 203           HA       ALA 203 -29.338  24.753 -10.644
  972   1HB   ALA 203          1HB       ALA 203 -27.733  22.480 -10.944
  973   2HB   ALA 203          2HB       ALA 203 -28.313  22.806 -12.577
  974   3HB   ALA 203          3HB       ALA 203 -29.465  22.567 -11.263
  975    HA   PRO 204           HA       PRO 204 -25.796  25.773  -8.269
  976   1HB   PRO 204          1HB       PRO 204 -25.472  22.999  -7.233
  977   2HB   PRO 204          2HB       PRO 204 -25.733  24.507  -6.339
  978   1HG   PRO 204          1HG       PRO 204 -27.662  22.666  -6.640
  979   2HG   PRO 204          2HG       PRO 204 -28.009  24.399  -6.566
  980   1HD   PRO 204          1HD       PRO 204 -28.015  22.565  -8.905
  981   2HD   PRO 204          2HD       PRO 204 -29.008  24.002  -8.588
  982    H    ARG 205           H        ARG 205 -23.411  25.323  -8.029
  983    HA   ARG 205           HA       ARG 205 -22.346  23.418 -10.072
  984   1HB   ARG 205          1HB       ARG 205 -22.697  25.984 -10.688
  985   2HB   ARG 205          2HB       ARG 205 -21.198  26.180  -9.781
  986   1HG   ARG 205          1HG       ARG 205 -20.232  25.710 -11.799
  987   2HG   ARG 205          2HG       ARG 205 -20.552  24.040 -11.328
  988   1HD   ARG 205          1HD       ARG 205 -22.958  25.063 -12.472
  989   2HD   ARG 205          2HD       ARG 205 -21.627  25.474 -13.569
  990    HE   ARG 205           HE       ARG 205 -21.437  22.756 -12.520
  991   1HH1  ARG 205          1HH1      ARG 205 -22.848  24.789 -14.968
  992   2HH1  ARG 205          2HH1      ARG 205 -23.055  23.486 -16.086
  993   1HH2  ARG 205          1HH2      ARG 205 -21.717  21.081 -13.989
  994   2HH2  ARG 205          2HH2      ARG 205 -22.421  21.403 -15.538
  995    H    LYS 206           H        LYS 206 -21.170  25.897  -7.754
  996    HA   LYS 206           HA       LYS 206 -18.858  24.252  -7.037
  997   1HB   LYS 206          1HB       LYS 206 -19.346  26.890  -7.131
  998   2HB   LYS 206          2HB       LYS 206 -19.784  26.616  -5.445
  999   1HG   LYS 206          1HG       LYS 206 -17.466  25.222  -5.546
 1000   2HG   LYS 206          2HG       LYS 206 -17.127  26.451  -6.765
 1001   1HD   LYS 206          1HD       LYS 206 -18.102  27.027  -3.950
 1002   2HD   LYS 206          2HD       LYS 206 -16.427  27.169  -4.484
 1003   1HE   LYS 206          1HE       LYS 206 -16.825  29.172  -5.498
 1004   2HE   LYS 206          2HE       LYS 206 -18.332  28.588  -6.229
 1005   1HZ   LYS 206          1HZ       LYS 206 -18.880  30.220  -4.576
 1006   2HZ   LYS 206          2HZ       LYS 206 -17.919  29.446  -3.410
 1007   3HZ   LYS 206          3HZ       LYS 206 -19.335  28.698  -3.976
 1008    H    GLN 207           H        GLN 207 -18.516  23.273  -4.972
 1009    HA   GLN 207           HA       GLN 207 -20.862  22.142  -3.707
 1010   1HB   GLN 207          1HB       GLN 207 -17.879  22.174  -3.278
 1011   2HB   GLN 207          2HB       GLN 207 -18.924  21.455  -2.053
 1012   1HG   GLN 207          1HG       GLN 207 -19.950  20.034  -3.847
 1013   2HG   GLN 207          2HG       GLN 207 -18.763  20.679  -4.980
 1014   1HE2  GLN 207          1HE2      GLN 207 -18.893  17.871  -4.270
 1015   2HE2  GLN 207          2HE2      GLN 207 -17.463  17.480  -3.443
 1016    H    LEU 208           H        LEU 208 -21.920  22.830  -1.860
 1017    HA   LEU 208           HA       LEU 208 -20.691  24.682   0.042
 1018   1HB   LEU 208          1HB       LEU 208 -21.410  25.984  -2.080
 1019   2HB   LEU 208          2HB       LEU 208 -23.065  25.672  -1.558
 1020    HG   LEU 208           HG       LEU 208 -21.867  26.568   0.764
 1021   1HD1  LEU 208          1HD1      LEU 208 -19.835  27.311  -0.192
 1022   2HD1  LEU 208          2HD1      LEU 208 -20.820  28.772  -0.106
 1023   3HD1  LEU 208          3HD1      LEU 208 -20.639  27.919  -1.639
 1024   1HD2  LEU 208          1HD2      LEU 208 -23.068  28.732   0.199
 1025   2HD2  LEU 208          2HD2      LEU 208 -24.053  27.277   0.053
 1026   3HD2  LEU 208          3HD2      LEU 208 -23.397  28.046  -1.392
 1027    H    ALA 209           H        ALA 209 -21.715  22.244   0.648
 1028    HA   ALA 209           HA       ALA 209 -24.236  22.925   2.102
 1029   1HB   ALA 209          1HB       ALA 209 -25.160  21.720   0.341
 1030   2HB   ALA 209          2HB       ALA 209 -24.743  20.380   1.410
 1031   3HB   ALA 209          3HB       ALA 209 -23.681  20.799   0.065
 1032    H    THR 210           H        THR 210 -22.356  19.915   1.690
 1033    HA   THR 210           HA       THR 210 -21.564  20.077   4.570
 1034    HB   THR 210           HB       THR 210 -22.217  17.588   4.613
 1035    HG1  THR 210           HG1      THR 210 -22.402  17.233   2.426
 1036   1HG2  THR 210          1HG2      THR 210 -23.703  19.922   5.042
 1037   2HG2  THR 210          2HG2      THR 210 -24.101  18.306   5.628
 1038   3HG2  THR 210          3HG2      THR 210 -24.774  18.882   4.103
 1039    H    LYS 211           H        LYS 211 -19.579  19.018   5.023
 1040    HA   LYS 211           HA       LYS 211 -17.981  18.289   2.610
 1041   1HB   LYS 211          1HB       LYS 211 -17.572  19.660   5.165
 1042   2HB   LYS 211          2HB       LYS 211 -16.330  18.445   4.862
 1043   1HG   LYS 211          1HG       LYS 211 -17.132  20.345   2.673
 1044   2HG   LYS 211          2HG       LYS 211 -16.000  20.870   3.919
 1045   1HD   LYS 211          1HD       LYS 211 -14.951  18.438   3.292
 1046   2HD   LYS 211          2HD       LYS 211 -15.629  18.904   1.732
 1047   1HE   LYS 211          1HE       LYS 211 -14.281  21.168   2.950
 1048   2HE   LYS 211          2HE       LYS 211 -13.182  19.782   2.820
 1049   1HZ   LYS 211          1HZ       LYS 211 -13.422  21.219   0.760
 1050   2HZ   LYS 211          2HZ       LYS 211 -14.994  20.593   0.616
 1051   3HZ   LYS 211          3HZ       LYS 211 -13.655  19.551   0.539
 1052    H    ALA 212           H        ALA 212 -18.739  17.138   5.909
 1053    HA   ALA 212           HA       ALA 212 -18.555  14.981   6.854
 1054   1HB   ALA 212          1HB       ALA 212 -18.779  13.327   4.625
 1055   2HB   ALA 212          2HB       ALA 212 -19.517  14.835   4.083
 1056   3HB   ALA 212          3HB       ALA 212 -20.132  14.019   5.521
 1057    H    ALA 213           H        ALA 213 -17.413  12.635   5.944
 1058    HA   ALA 213           HA       ALA 213 -14.542  13.422   5.661
 1059   1HB   ALA 213          1HB       ALA 213 -14.097  11.492   6.937
 1060   2HB   ALA 213          2HB       ALA 213 -15.586  10.698   6.425
 1061   3HB   ALA 213          3HB       ALA 213 -15.647  12.015   7.596
 1062    H    ARG 214           H        ARG 214 -13.635  10.844   4.841
 1063    HA   ARG 214           HA       ARG 214 -14.474  10.914   1.989
 1064   1HB   ARG 214          1HB       ARG 214 -12.109   9.962   3.587
 1065   2HB   ARG 214          2HB       ARG 214 -12.367   9.316   1.967
 1066   1HG   ARG 214          1HG       ARG 214 -11.315  11.165   1.204
 1067   2HG   ARG 214          2HG       ARG 214 -12.767  12.056   1.659
 1068   1HD   ARG 214          1HD       ARG 214 -11.290  11.691   4.053
 1069   2HD   ARG 214          2HD       ARG 214 -10.131  12.224   2.821
 1070    HE   ARG 214           HE       ARG 214 -12.339  13.804   3.880
 1071   1HH1  ARG 214          1HH1      ARG 214 -10.375  13.169   1.076
 1072   2HH1  ARG 214          2HH1      ARG 214 -10.632  14.741   0.403
 1073   1HH2  ARG 214          1HH2      ARG 214 -12.658  15.838   2.986
 1074   2HH2  ARG 214          2HH2      ARG 214 -11.915  16.243   1.475
 1075   1HN   MLZ 215          1HN       MLZ 215 -13.141   7.994   3.456
 1076    HA   MLZ 215           HA       MLZ 215 -15.657   6.579   2.696
 1077   1HB   MLZ 215          1HB       MLZ 215 -12.858   5.590   3.356
 1078   2HB   MLZ 215          2HB       MLZ 215 -14.167   4.603   2.710
 1079   1HG   MLZ 215          1HG       MLZ 215 -13.278   7.089   1.261
 1080   2HG   MLZ 215          2HG       MLZ 215 -14.112   5.675   0.620
 1081   1HD   MLZ 215          1HD       MLZ 215 -11.214   5.926   1.436
 1082   2HD   MLZ 215          2HD       MLZ 215 -11.994   4.354   1.250
 1083   1HE   MLZ 215          1HE       MLZ 215 -10.899   5.995  -0.807
 1084   2HE   MLZ 215          2HE       MLZ 215 -12.657   5.964  -1.035
 1085    HZ   MLZ 215           HZ       MLZ 215 -12.423   3.480  -0.507
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -11.935   2.969  -2.835
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -11.342   4.614  -3.032
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -13.040   4.328  -2.668
 1089    H    SER 216           H        SER 216 -17.006   5.907   4.304
 1090    HA   SER 216           HA       SER 216 -17.780   5.276   6.439
 1091   1HB   SER 216          1HB       SER 216 -16.638   7.690   6.599
 1092   2HB   SER 216          2HB       SER 216 -17.220   6.864   8.044
 1093    HG   SER 216           HG       SER 216 -14.931   7.742   7.915
 1094    H    ALA 217           H        ALA 217 -17.020   4.168   8.541
 1095    HA   ALA 217           HA       ALA 217 -15.253   1.970   7.866
 1096   1HB   ALA 217          1HB       ALA 217 -14.095   4.396   8.772
 1097   2HB   ALA 217          2HB       ALA 217 -13.285   2.841   8.582
 1098   3HB   ALA 217          3HB       ALA 217 -14.005   3.276  10.131
 1099    HA   PRO 218           HA       PRO 218 -17.563   0.235  11.184
 1100   1HB   PRO 218          1HB       PRO 218 -15.864  -1.771  11.996
 1101   2HB   PRO 218          2HB       PRO 218 -16.802  -1.842  10.495
 1102   1HG   PRO 218          1HG       PRO 218 -13.950  -1.126  10.881
 1103   2HG   PRO 218          2HG       PRO 218 -14.700  -2.120   9.630
 1104   1HD   PRO 218          1HD       PRO 218 -13.974   0.450   9.247
 1105   2HD   PRO 218          2HD       PRO 218 -15.330  -0.298   8.402
 1106    H    ALA 219           H        ALA 219 -17.600   0.149  13.531
 1107    HA   ALA 219           HA       ALA 219 -17.046   0.990  15.668
 1108   1HB   ALA 219          1HB       ALA 219 -14.326   0.816  15.813
 1109   2HB   ALA 219          2HB       ALA 219 -14.631  -0.194  14.401
 1110   3HB   ALA 219          3HB       ALA 219 -15.390  -0.584  15.944
 1111    H    THR 220           H        THR 220 -17.705   3.157  14.509
 1112    HA   THR 220           HA       THR 220 -15.487   5.001  13.936
 1113    HB   THR 220           HB       THR 220 -17.574   6.572  13.809
 1114    HG1  THR 220           HG1      THR 220 -18.988   5.321  14.984
 1115   1HG2  THR 220          1HG2      THR 220 -17.761   4.195  11.974
 1116   2HG2  THR 220          2HG2      THR 220 -16.332   5.227  11.933
 1117   3HG2  THR 220          3HG2      THR 220 -17.922   5.908  11.588
 1118    H    GLY 221           H        GLY 221 -15.070   6.924  15.204
 1119   1HA   GLY 221          1HA       GLY 221 -14.767   8.100  17.212
 1120   2HA   GLY 221          2HA       GLY 221 -16.403   7.591  17.631
 1121   1H    MET   1          1H        MET   1  -0.829 -11.925   7.544
 1122   2H    MET   1          2H        MET   1  -1.050 -11.499   5.915
 1123   3H    MET   1          3H        MET   1  -1.754 -10.559   7.141
 1124    HA   MET   1           HA       MET   1   0.351  -9.640   6.070
 1125   1HB   MET   1          1HB       MET   1  -0.782  -9.722   8.700
 1126   2HB   MET   1          2HB       MET   1   0.971  -9.656   8.873
 1127   1HG   MET   1          1HG       MET   1  -0.549  -7.808   7.023
 1128   2HG   MET   1          2HG       MET   1  -0.217  -7.399   8.706
 1129   1HE   MET   1          1HE       MET   1   2.237  -5.108   7.033
 1130   2HE   MET   1          2HE       MET   1   0.583  -5.372   7.587
 1131   3HE   MET   1          3HE       MET   1   1.018  -5.716   5.913
 1132    H    PHE   2           H        PHE   2   0.591 -12.742   6.298
 1133    HA   PHE   2           HA       PHE   2   3.486 -12.837   6.232
 1134   1HB   PHE   2          1HB       PHE   2   3.680 -14.244   8.323
 1135   2HB   PHE   2          2HB       PHE   2   3.197 -12.579   8.639
 1136    HD1  PHE   2           HD1      PHE   2   2.170 -16.088   8.715
 1137    HD2  PHE   2           HD2      PHE   2   0.837 -12.031   9.178
 1138    HE1  PHE   2           HE1      PHE   2   0.107 -16.893   9.831
 1139    HE2  PHE   2           HE2      PHE   2  -1.225 -12.835  10.293
 1140    HZ   PHE   2           HZ       PHE   2  -1.590 -15.266  10.620
 1141    H    ASN   3           H        ASN   3   3.837 -14.427   4.750
 1142    HA   ASN   3           HA       ASN   3   1.990 -16.793   4.748
 1143   1HB   ASN   3          1HB       ASN   3   2.485 -16.803   2.272
 1144   2HB   ASN   3          2HB       ASN   3   1.657 -15.344   2.814
 1145   1HD2  ASN   3          1HD2      ASN   3   2.770 -14.539   0.677
 1146   2HD2  ASN   3          2HD2      ASN   3   4.334 -13.897   0.841
 1147    H    ASP   4           H        ASP   4   3.041 -18.802   3.907
 1148    HA   ASP   4           HA       ASP   4   5.350 -19.570   5.271
 1149   1HB   ASP   4          1HB       ASP   4   5.367 -21.438   3.634
 1150   2HB   ASP   4          2HB       ASP   4   3.720 -21.052   4.133
 1151    H    ARG   5           H        ARG   5   5.132 -17.779   2.257
 1152    HA   ARG   5           HA       ARG   5   7.867 -18.269   1.403
 1153   1HB   ARG   5          1HB       ARG   5   5.953 -17.618  -0.063
 1154   2HB   ARG   5          2HB       ARG   5   5.896 -16.048   0.738
 1155   1HG   ARG   5          1HG       ARG   5   7.838 -15.314  -0.264
 1156   2HG   ARG   5          2HG       ARG   5   8.520 -16.937  -0.369
 1157   1HD   ARG   5          1HD       ARG   5   7.957 -16.249  -2.623
 1158   2HD   ARG   5          2HD       ARG   5   6.737 -17.436  -2.126
 1159    HE   ARG   5           HE       ARG   5   5.912 -14.802  -1.325
 1160   1HH1  ARG   5          1HH1      ARG   5   6.277 -16.822  -4.136
 1161   2HH1  ARG   5          2HH1      ARG   5   5.023 -16.017  -5.013
 1162   1HH2  ARG   5          1HH2      ARG   5   4.288 -13.772  -2.483
 1163   2HH2  ARG   5          2HH2      ARG   5   3.904 -14.303  -4.087
 1164    H    VAL   6           H        VAL   6   6.238 -15.541   3.065
 1165    HA   VAL   6           HA       VAL   6   8.809 -14.814   4.336
 1166    HB   VAL   6           HB       VAL   6   8.563 -12.457   3.447
 1167   1HG1  VAL   6          1HG1      VAL   6  10.042 -14.260   2.420
 1168   2HG1  VAL   6          2HG1      VAL   6   9.589 -12.942   1.340
 1169   3HG1  VAL   6          3HG1      VAL   6   8.769 -14.498   1.225
 1170   1HG2  VAL   6          1HG2      VAL   6   6.122 -12.701   2.909
 1171   2HG2  VAL   6          2HG2      VAL   6   6.569 -13.747   1.561
 1172   3HG2  VAL   6          3HG2      VAL   6   7.074 -12.057   1.571
 1173    H    ILE   7           H        ILE   7   8.300 -12.604   5.628
 1174    HA   ILE   7           HA       ILE   7   5.510 -12.504   6.615
 1175    HB   ILE   7           HB       ILE   7   6.538 -14.324   7.892
 1176   1HG1  ILE   7          1HG1      ILE   7   6.487 -11.780   9.545
 1177   2HG1  ILE   7          2HG1      ILE   7   5.069 -12.735   9.115
 1178   1HG2  ILE   7          1HG2      ILE   7   8.878 -12.813   7.543
 1179   2HG2  ILE   7          2HG2      ILE   7   8.724 -14.324   8.441
 1180   3HG2  ILE   7          3HG2      ILE   7   8.568 -12.780   9.279
 1181   1HD1  ILE   7          1HD1      ILE   7   7.326 -13.433  10.973
 1182   2HD1  ILE   7          2HD1      ILE   7   6.417 -14.719  10.179
 1183   3HD1  ILE   7          3HD1      ILE   7   5.588 -13.576  11.235
 1184    H    VAL   8           H        VAL   8   5.090 -10.526   7.758
 1185    HA   VAL   8           HA       VAL   8   7.132  -8.421   7.294
 1186    HB   VAL   8           HB       VAL   8   4.222  -8.362   8.175
 1187   1HG1  VAL   8          1HG1      VAL   8   4.315  -5.977   7.811
 1188   2HG1  VAL   8          2HG1      VAL   8   5.956  -6.085   7.175
 1189   3HG1  VAL   8          3HG1      VAL   8   5.651  -6.392   8.884
 1190   1HG2  VAL   8          1HG2      VAL   8   5.576  -7.890   5.502
 1191   2HG2  VAL   8          2HG2      VAL   8   3.883  -7.522   5.831
 1192   3HG2  VAL   8          3HG2      VAL   8   4.452  -9.190   5.901
 1193    H    LYS   9           H        LYS   9   8.467  -7.893   8.949
 1194    HA   LYS   9           HA       LYS   9   7.440  -8.143  11.746
 1195   1HB   LYS   9          1HB       LYS   9  10.026  -8.902  10.425
 1196   2HB   LYS   9          2HB       LYS   9   9.983  -8.588  12.156
 1197   1HG   LYS   9          1HG       LYS   9   8.180 -10.274  12.400
 1198   2HG   LYS   9          2HG       LYS   9   8.264 -10.597  10.670
 1199   1HD   LYS   9          1HD       LYS   9  10.176 -11.815  10.866
 1200   2HD   LYS   9          2HD       LYS   9  10.855 -10.734  12.083
 1201   1HE   LYS   9          1HE       LYS   9   9.266 -11.728  13.763
 1202   2HE   LYS   9          2HE       LYS   9   8.770 -12.898  12.527
 1203   1HZ   LYS   9          1HZ       LYS   9  11.576 -12.422  13.398
 1204   2HZ   LYS   9          2HZ       LYS   9  11.055 -13.591  12.282
 1205   3HZ   LYS   9          3HZ       LYS   9  10.617 -13.723  13.918
 1206    H    LYS  10           H        LYS  10   8.833  -4.887  12.484
 1207    HA   LYS  10           HA       LYS  10   7.934  -5.777  14.443
 1208   1HB   LYS  10          1HB       LYS  10   6.302  -6.580  12.152
 1209   2HB   LYS  10          2HB       LYS  10   6.113  -7.670  13.525
 1210   1HG   LYS  10          1HG       LYS  10   5.996  -4.665  13.830
 1211   2HG   LYS  10          2HG       LYS  10   4.561  -5.626  13.470
 1212   1HD   LYS  10          1HD       LYS  10   6.389  -6.009  15.862
 1213   2HD   LYS  10          2HD       LYS  10   4.788  -5.271  15.902
 1214   1HE   LYS  10          1HE       LYS  10   3.945  -7.488  14.855
 1215   2HE   LYS  10          2HE       LYS  10   5.509  -8.157  15.356
 1216   1HZ   LYS  10          1HZ       LYS  10   3.823  -8.366  17.111
 1217   2HZ   LYS  10          2HZ       LYS  10   3.624  -6.680  17.123
 1218   3HZ   LYS  10          3HZ       LYS  10   5.105  -7.363  17.595
 1219    H    SER  11           H        SER  11  10.318  -6.839  14.213
 1220    HA   SER  11           HA       SER  11  10.034  -9.813  14.353
 1221   1HB   SER  11          1HB       SER  11  12.143  -9.861  13.420
 1222   2HB   SER  11          2HB       SER  11  11.725  -8.227  12.914
 1223    HG   SER  11           HG       SER  11  13.747  -8.328  13.984
 1224    HA   PRO  12           HA       PRO  12  11.220 -10.137  18.579
 1225   1HB   PRO  12          1HB       PRO  12  14.041 -10.916  18.068
 1226   2HB   PRO  12          2HB       PRO  12  12.759 -11.825  18.887
 1227   1HG   PRO  12          1HG       PRO  12  13.649 -12.473  16.435
 1228   2HG   PRO  12          2HG       PRO  12  11.971 -12.721  16.936
 1229   1HD   PRO  12          1HD       PRO  12  13.127 -10.636  15.154
 1230   2HD   PRO  12          2HD       PRO  12  11.539 -11.431  15.090
 1231    H    LEU  13           H        LEU  13  13.846  -8.661  16.669
 1232    HA   LEU  13           HA       LEU  13  14.737  -7.019  18.947
 1233   1HB   LEU  13          1HB       LEU  13  15.491  -7.407  16.045
 1234   2HB   LEU  13          2HB       LEU  13  16.205  -6.103  16.993
 1235    HG   LEU  13           HG       LEU  13  16.237  -8.629  18.446
 1236   1HD1  LEU  13          1HD1      LEU  13  18.018  -9.657  16.998
 1237   2HD1  LEU  13          2HD1      LEU  13  17.618  -8.475  15.751
 1238   3HD1  LEU  13          3HD1      LEU  13  16.417  -9.663  16.258
 1239   1HD2  LEU  13          1HD2      LEU  13  18.336  -7.872  19.079
 1240   2HD2  LEU  13          2HD2      LEU  13  17.587  -6.345  18.612
 1241   3HD2  LEU  13          3HD2      LEU  13  18.675  -7.171  17.497
 1242    H    GLY  14           H        GLY  14  12.593  -6.721  16.202
 1243   1HA   GLY  14          1HA       GLY  14  10.888  -4.908  16.359
 1244   2HA   GLY  14          2HA       GLY  14  12.180  -3.846  16.918
 1245    H    GLY  15           H        GLY  15  11.691  -2.396  15.129
 1246   1HA   GLY  15          1HA       GLY  15  12.288  -1.517  13.027
 1247   2HA   GLY  15          2HA       GLY  15  13.282  -2.951  12.771
 1248    H    TYR  16           H        TYR  16  11.120  -1.473  11.110
 1249    HA   TYR  16           HA       TYR  16   9.208  -3.721  10.704
 1250   1HB   TYR  16          1HB       TYR  16   9.204  -0.832  10.522
 1251   2HB   TYR  16          2HB       TYR  16   8.683  -1.525   8.987
 1252    HD1  TYR  16           HD1      TYR  16   7.012  -3.600   9.241
 1253    HD2  TYR  16           HD2      TYR  16   7.600  -0.523  12.180
 1254    HE1  TYR  16           HE1      TYR  16   4.799  -4.123  10.231
 1255    HE2  TYR  16           HE2      TYR  16   5.387  -1.046  13.169
 1256    HH   TYR  16           HH       TYR  16   3.731  -2.631  13.233
 1257    H    GLY  17           H        GLY  17  11.185  -4.934   9.751
 1258   1HA   GLY  17          1HA       GLY  17  11.591  -4.139   6.893
 1259   2HA   GLY  17          2HA       GLY  17  12.750  -5.092   7.822
 1260    H    VAL  18           H        VAL  18  12.233  -6.442   5.684
 1261    HA   VAL  18           HA       VAL  18   9.804  -8.123   6.120
 1262    HB   VAL  18           HB       VAL  18  11.759  -7.815   3.811
 1263   1HG1  VAL  18          1HG1      VAL  18  10.225 -10.034   4.340
 1264   2HG1  VAL  18          2HG1      VAL  18  10.713  -9.524   2.724
 1265   3HG1  VAL  18          3HG1      VAL  18   9.128  -9.072   3.350
 1266   1HG2  VAL  18          1HG2      VAL  18   9.044  -6.695   4.459
 1267   2HG2  VAL  18          2HG2      VAL  18   9.534  -6.903   2.778
 1268   3HG2  VAL  18          3HG2      VAL  18  10.470  -5.857   3.847
 1269    H    PHE  19           H        PHE  19  10.016 -10.379   6.417
 1270    HA   PHE  19           HA       PHE  19  12.787 -11.310   7.082
 1271   1HB   PHE  19          1HB       PHE  19  10.218 -11.398   8.398
 1272   2HB   PHE  19          2HB       PHE  19  10.776 -13.045   8.106
 1273    HD1  PHE  19           HD1      PHE  19  12.598 -13.972   9.334
 1274    HD2  PHE  19           HD2      PHE  19  11.734  -9.772   9.598
 1275    HE1  PHE  19           HE1      PHE  19  14.206 -13.759  11.210
 1276    HE2  PHE  19           HE2      PHE  19  13.342  -9.559  11.474
 1277    HZ   PHE  19           HZ       PHE  19  14.578 -11.553  12.280
 1278    H    ALA  20           H        ALA  20  13.611 -12.833   5.716
 1279    HA   ALA  20           HA       ALA  20  11.871 -14.005   3.643
 1280   1HB   ALA  20          1HB       ALA  20  14.613 -14.916   3.644
 1281   2HB   ALA  20          2HB       ALA  20  14.574 -13.181   3.961
 1282   3HB   ALA  20          3HB       ALA  20  13.821 -13.829   2.503
 1283    H    ARG  21           H        ARG  21  10.633 -15.537   4.920
 1284    HA   ARG  21           HA       ARG  21  11.716 -17.510   6.671
 1285   1HB   ARG  21          1HB       ARG  21   9.255 -16.729   5.695
 1286   2HB   ARG  21          2HB       ARG  21   9.465 -18.301   4.924
 1287   1HG   ARG  21          1HG       ARG  21   8.859 -19.274   6.861
 1288   2HG   ARG  21          2HG       ARG  21  10.323 -18.624   7.597
 1289   1HD   ARG  21          1HD       ARG  21   9.098 -17.171   8.833
 1290   2HD   ARG  21          2HD       ARG  21   8.301 -16.549   7.376
 1291    HE   ARG  21           HE       ARG  21   6.501 -18.029   7.803
 1292   1HH1  ARG  21          1HH1      ARG  21   9.334 -18.970   9.595
 1293   2HH1  ARG  21          2HH1      ARG  21   8.504 -20.211  10.468
 1294   1HH2  ARG  21          1HH2      ARG  21   5.447 -19.646   8.948
 1295   2HH2  ARG  21          2HH2      ARG  21   6.320 -20.593  10.106
 1296    H    LYS  22           H        LYS  22  11.777 -17.194   3.205
 1297    HA   LYS  22           HA       LYS  22  12.509 -20.023   2.747
 1298   1HB   LYS  22          1HB       LYS  22  11.399 -17.778   1.324
 1299   2HB   LYS  22          2HB       LYS  22  12.832 -18.330   0.463
 1300   1HG   LYS  22          1HG       LYS  22  11.883 -20.345  -0.083
 1301   2HG   LYS  22          2HG       LYS  22  11.007 -20.458   1.442
 1302   1HD   LYS  22          1HD       LYS  22   9.601 -18.468   0.489
 1303   2HD   LYS  22          2HD       LYS  22  10.249 -18.981  -1.069
 1304   1HE   LYS  22          1HE       LYS  22   8.884 -20.904   0.842
 1305   2HE   LYS  22          2HE       LYS  22   8.020 -20.047  -0.448
 1306   1HZ   LYS  22          1HZ       LYS  22   9.372 -21.012  -2.083
 1307   2HZ   LYS  22          2HZ       LYS  22   9.026 -22.302  -1.033
 1308   3HZ   LYS  22          3HZ       LYS  22  10.536 -21.528  -0.958
 1309    H    SER  23           H        SER  23  15.952 -19.271   1.603
 1310    HA   SER  23           HA       SER  23  13.447 -20.805   1.077
 1311   1HB   SER  23          1HB       SER  23  15.434 -22.069   1.685
 1312   2HB   SER  23          2HB       SER  23  15.126 -22.345  -0.029
 1313    HG   SER  23           HG       SER  23  17.141 -21.742  -0.172
 1314    H    PHE  24           H        PHE  24  15.502 -18.392  -0.326
 1315    HA   PHE  24           HA       PHE  24  13.922 -18.565  -2.856
 1316   1HB   PHE  24          1HB       PHE  24  15.451 -16.387  -1.399
 1317   2HB   PHE  24          2HB       PHE  24  14.805 -16.158  -3.023
 1318    HD1  PHE  24           HD1      PHE  24  14.127 -15.443   0.253
 1319    HD2  PHE  24           HD2      PHE  24  12.239 -17.254  -3.154
 1320    HE1  PHE  24           HE1      PHE  24  11.900 -14.923   1.211
 1321    HE2  PHE  24           HE2      PHE  24  10.011 -16.733  -2.196
 1322    HZ   PHE  24           HZ       PHE  24   9.847 -15.565  -0.013
 1323    H    GLU  25           H        GLU  25  15.094 -18.068  -4.879
 1324    HA   GLU  25           HA       GLU  25  17.862 -19.184  -4.853
 1325   1HB   GLU  25          1HB       GLU  25  15.520 -19.487  -6.445
 1326   2HB   GLU  25          2HB       GLU  25  16.722 -18.694  -7.463
 1327   1HG   GLU  25          1HG       GLU  25  16.903 -21.157  -7.614
 1328   2HG   GLU  25          2HG       GLU  25  18.360 -20.451  -6.914
 1329    H    LYS  26           H        LYS  26  18.740 -18.052  -7.279
 1330    HA   LYS  26           HA       LYS  26  19.241 -15.254  -6.411
 1331   1HB   LYS  26          1HB       LYS  26  21.071 -16.877  -6.991
 1332   2HB   LYS  26          2HB       LYS  26  20.451 -16.929  -8.641
 1333   1HG   LYS  26          1HG       LYS  26  20.733 -14.411  -8.717
 1334   2HG   LYS  26          2HG       LYS  26  21.582 -14.531  -7.176
 1335   1HD   LYS  26          1HD       LYS  26  23.311 -15.885  -8.135
 1336   2HD   LYS  26          2HD       LYS  26  22.389 -16.124  -9.620
 1337   1HE   LYS  26          1HE       LYS  26  23.221 -14.206 -10.502
 1338   2HE   LYS  26          2HE       LYS  26  22.744 -13.286  -9.062
 1339   1HZ   LYS  26          1HZ       LYS  26  24.688 -13.952  -7.931
 1340   2HZ   LYS  26          2HZ       LYS  26  25.218 -13.486  -9.475
 1341   3HZ   LYS  26          3HZ       LYS  26  25.067 -15.133  -9.091
 1342    H    GLY  27           H        GLY  27  17.386 -14.108  -7.099
 1343   1HA   GLY  27          1HA       GLY  27  16.577 -12.670  -8.889
 1344   2HA   GLY  27          2HA       GLY  27  17.084 -13.894 -10.054
 1345    H    GLU  28           H        GLU  28  14.964 -13.831  -7.158
 1346    HA   GLU  28           HA       GLU  28  12.854 -15.153  -8.832
 1347   1HB   GLU  28          1HB       GLU  28  14.348 -16.135  -6.605
 1348   2HB   GLU  28          2HB       GLU  28  12.693 -15.882  -6.051
 1349   1HG   GLU  28          1HG       GLU  28  11.909 -17.144  -8.094
 1350   2HG   GLU  28          2HG       GLU  28  13.596 -17.540  -8.421
 1351    H    LEU  29           H        LEU  29  11.071 -13.853  -8.891
 1352    HA   LEU  29           HA       LEU  29  10.678 -11.494  -7.384
 1353   1HB   LEU  29          1HB       LEU  29   9.554 -12.527  -9.529
 1354   2HB   LEU  29          2HB       LEU  29   8.410 -13.218  -8.378
 1355    HG   LEU  29           HG       LEU  29   7.596 -11.050  -9.220
 1356   1HD1  LEU  29          1HD1      LEU  29   7.491 -11.869  -6.690
 1357   2HD1  LEU  29          2HD1      LEU  29   6.880 -10.282  -7.158
 1358   3HD1  LEU  29          3HD1      LEU  29   8.479 -10.432  -6.431
 1359   1HD2  LEU  29          1HD2      LEU  29   9.398  -9.280  -7.881
 1360   2HD2  LEU  29          2HD2      LEU  29   9.045  -9.374  -9.606
 1361   3HD2  LEU  29          3HD2      LEU  29  10.347 -10.344  -8.918
 1362    H    VAL  30           H        VAL  30   9.919 -11.141  -5.327
 1363    HA   VAL  30           HA       VAL  30   9.053 -13.516  -3.738
 1364    HB   VAL  30           HB       VAL  30  10.077 -10.742  -3.026
 1365   1HG1  VAL  30          1HG1      VAL  30   9.215 -13.071  -1.295
 1366   2HG1  VAL  30          2HG1      VAL  30   8.616 -11.413  -1.247
 1367   3HG1  VAL  30          3HG1      VAL  30  10.253 -11.775  -0.702
 1368   1HG2  VAL  30          1HG2      VAL  30  11.477 -12.911  -3.940
 1369   2HG2  VAL  30          2HG2      VAL  30  11.532 -13.173  -2.197
 1370   3HG2  VAL  30          3HG2      VAL  30  12.150 -11.670  -2.883
 1371    H    GLU  31           H        GLU  31   8.119 -10.170  -4.538
 1372    HA   GLU  31           HA       GLU  31   5.287 -10.797  -4.258
 1373   1HB   GLU  31          1HB       GLU  31   6.507 -10.458  -1.903
 1374   2HB   GLU  31          2HB       GLU  31   6.285  -8.754  -2.298
 1375   1HG   GLU  31          1HG       GLU  31   4.047  -8.853  -1.946
 1376   2HG   GLU  31          2HG       GLU  31   3.896 -10.387  -2.804
 1377    H    GLU  32           H        GLU  32   3.955  -8.954  -4.894
 1378    HA   GLU  32           HA       GLU  32   5.355  -6.492  -5.775
 1379   1HB   GLU  32          1HB       GLU  32   4.527  -6.829  -8.094
 1380   2HB   GLU  32          2HB       GLU  32   5.586  -8.152  -7.605
 1381   1HG   GLU  32          1HG       GLU  32   3.604  -9.512  -7.018
 1382   2HG   GLU  32          2HG       GLU  32   2.553  -8.192  -7.530
 1383    H    CYS  33           H        CYS  33   3.871  -4.738  -6.102
 1384    HA   CYS  33           HA       CYS  33   0.973  -5.278  -5.753
 1385   1HB   CYS  33          1HB       CYS  33   2.789  -4.528  -3.665
 1386   2HB   CYS  33          2HB       CYS  33   1.721  -3.159  -3.973
 1387    HG   CYS  33           HG       CYS  33   0.855  -5.882  -2.827
 1388    H    LEU  34           H        LEU  34   0.254  -2.594  -5.215
 1389    HA   LEU  34           HA       LEU  34   0.875  -1.358  -7.849
 1390   1HB   LEU  34          1HB       LEU  34  -1.372  -1.610  -6.035
 1391   2HB   LEU  34          2HB       LEU  34  -1.083   0.089  -6.405
 1392    HG   LEU  34           HG       LEU  34  -2.626  -0.961  -8.040
 1393   1HD1  LEU  34          1HD1      LEU  34   0.063  -0.339  -9.289
 1394   2HD1  LEU  34          2HD1      LEU  34  -1.039   0.891  -8.674
 1395   3HD1  LEU  34          3HD1      LEU  34  -1.526  -0.132 -10.025
 1396   1HD2  LEU  34          1HD2      LEU  34  -0.227  -2.667  -8.773
 1397   2HD2  LEU  34          2HD2      LEU  34  -1.807  -2.691  -9.555
 1398   3HD2  LEU  34          3HD2      LEU  34  -1.638  -3.250  -7.890
 1399    H    CYS  35           H        CYS  35   0.828   1.180  -7.688
 1400    HA   CYS  35           HA       CYS  35   2.143   2.227  -5.242
 1401   1HB   CYS  35          1HB       CYS  35   3.396   1.668  -7.892
 1402   2HB   CYS  35          2HB       CYS  35   3.834   3.198  -7.133
 1403    HG   CYS  35           HG       CYS  35   5.324   0.996  -6.364
 1404    H    ILE  36           H        ILE  36   1.989   4.557  -5.132
 1405    HA   ILE  36           HA       ILE  36  -0.087   5.702  -6.918
 1406    HB   ILE  36           HB       ILE  36   1.390   6.845  -4.520
 1407   1HG1  ILE  36          1HG1      ILE  36  -1.387   5.653  -4.557
 1408   2HG1  ILE  36          2HG1      ILE  36   0.038   4.691  -4.170
 1409   1HG2  ILE  36          1HG2      ILE  36  -0.316   8.510  -4.453
 1410   2HG2  ILE  36          2HG2      ILE  36  -1.305   7.644  -5.630
 1411   3HG2  ILE  36          3HG2      ILE  36   0.193   8.423  -6.140
 1412   1HD1  ILE  36          1HD1      ILE  36   0.542   6.030  -2.256
 1413   2HD1  ILE  36          2HD1      ILE  36  -1.194   5.730  -2.177
 1414   3HD1  ILE  36          3HD1      ILE  36  -0.593   7.286  -2.749
 1415    H    VAL  37           H        VAL  37   0.329   7.527  -8.264
 1416    HA   VAL  37           HA       VAL  37   3.229   8.227  -8.603
 1417    HB   VAL  37           HB       VAL  37   1.063   7.904 -10.713
 1418   1HG1  VAL  37          1HG1      VAL  37   3.754   9.030 -10.719
 1419   2HG1  VAL  37          2HG1      VAL  37   2.513   9.094 -11.970
 1420   3HG1  VAL  37          3HG1      VAL  37   3.593   7.704 -11.871
 1421   1HG2  VAL  37          1HG2      VAL  37   1.776   5.775  -9.561
 1422   2HG2  VAL  37          2HG2      VAL  37   3.419   6.093 -10.117
 1423   3HG2  VAL  37          3HG2      VAL  37   2.130   5.813 -11.288
 1424    H    ARG  38           H        ARG  38   3.313  10.303  -7.775
 1425    HA   ARG  38           HA       ARG  38   1.435  12.306  -8.966
 1426   1HB   ARG  38          1HB       ARG  38   2.280  11.983  -6.065
 1427   2HB   ARG  38          2HB       ARG  38   1.328  13.332  -6.680
 1428   1HG   ARG  38          1HG       ARG  38   0.476  10.444  -6.993
 1429   2HG   ARG  38          2HG       ARG  38  -0.013  11.443  -5.625
 1430   1HD   ARG  38          1HD       ARG  38  -0.910  13.129  -7.307
 1431   2HD   ARG  38          2HD       ARG  38  -0.635  11.904  -8.560
 1432    HE   ARG  38           HE       ARG  38  -1.999  10.576  -6.502
 1433   1HH1  ARG  38          1HH1      ARG  38  -2.565  13.315  -8.574
 1434   2HH1  ARG  38          2HH1      ARG  38  -4.282  13.109  -8.562
 1435   1HH2  ARG  38          1HH2      ARG  38  -4.230  10.328  -6.502
 1436   2HH2  ARG  38          2HH2      ARG  38  -5.220  11.431  -7.398
 1437    H    HIS  39           H        HIS  39   2.352  14.497  -8.985
 1438    HA   HIS  39           HA       HIS  39   5.190  14.556  -9.563
 1439   1HB   HIS  39          1HB       HIS  39   3.027  16.655  -9.183
 1440   2HB   HIS  39          2HB       HIS  39   4.658  17.043  -9.731
 1441    HD1  HIS  39           HD1      HIS  39   3.014  17.797 -11.895
 1442    HD2  HIS  39           HD2      HIS  39   3.749  13.736 -11.304
 1443    HE1  HIS  39           HE1      HIS  39   2.494  16.648 -14.091
 1444    H    ASN  40           H        ASN  40   6.508  16.439  -8.434
 1445    HA   ASN  40           HA       ASN  40   6.929  15.720  -5.693
 1446   1HB   ASN  40          1HB       ASN  40   8.518  17.607  -5.800
 1447   2HB   ASN  40          2HB       ASN  40   8.589  16.673  -7.294
 1448   1HD2  ASN  40          1HD2      ASN  40   9.477  19.272  -7.502
 1449   2HD2  ASN  40          2HD2      ASN  40   8.336  20.240  -8.303
 1450    H    ASP  41           H        ASP  41   7.187  18.743  -4.952
 1451    HA   ASP  41           HA       ASP  41   5.893  20.390  -3.876
 1452   1HB   ASP  41          1HB       ASP  41   4.538  19.724  -6.159
 1453   2HB   ASP  41          2HB       ASP  41   3.329  19.337  -4.934
 1454    H    ASP  42           H        ASP  42   3.097  19.929  -3.001
 1455    HA   ASP  42           HA       ASP  42   3.413  19.035  -0.407
 1456   1HB   ASP  42          1HB       ASP  42   1.098  18.831  -2.352
 1457   2HB   ASP  42          2HB       ASP  42   0.916  18.467  -0.636
 1458    H    TRP  43           H        TRP  43   2.879  16.995  -3.265
 1459    HA   TRP  43           HA       TRP  43   2.298  14.532  -1.984
 1460   1HB   TRP  43          1HB       TRP  43   2.113  14.909  -4.385
 1461   2HB   TRP  43          2HB       TRP  43   3.838  15.248  -4.503
 1462    HD1  TRP  43           HD1      TRP  43   5.091  13.296  -5.502
 1463    HE1  TRP  43           HE1      TRP  43   4.925  10.727  -5.390
 1464    HE3  TRP  43           HE3      TRP  43   1.026  12.805  -2.447
 1465    HZ2  TRP  43           HZ2      TRP  43   3.288   8.729  -4.170
 1466    HZ3  TRP  43           HZ3      TRP  43   0.187  10.556  -1.827
 1467    HH2  TRP  43           HH2      TRP  43   1.312   8.519  -2.683
 1468    H    GLY  44           H        GLY  44   5.499  15.716  -3.105
 1469   1HA   GLY  44          1HA       GLY  44   7.011  13.602  -1.954
 1470   2HA   GLY  44          2HA       GLY  44   7.659  15.190  -2.364
 1471    H    THR  45           H        THR  45   5.703  16.540  -0.543
 1472    HA   THR  45           HA       THR  45   7.334  16.371   1.881
 1473    HB   THR  45           HB       THR  45   4.823  17.919   1.142
 1474    HG1  THR  45           HG1      THR  45   7.501  18.811   1.292
 1475   1HG2  THR  45          1HG2      THR  45   4.846  18.828   3.212
 1476   2HG2  THR  45          2HG2      THR  45   6.592  19.076   3.154
 1477   3HG2  THR  45          3HG2      THR  45   5.939  17.521   3.670
 1478    H    ALA  46           H        ALA  46   3.774  16.197   1.451
 1479    HA   ALA  46           HA       ALA  46   3.034  15.184   3.920
 1480   1HB   ALA  46          1HB       ALA  46   1.584  15.825   1.965
 1481   2HB   ALA  46          2HB       ALA  46   1.080  14.316   2.726
 1482   3HB   ALA  46          3HB       ALA  46   1.984  14.281   1.212
 1483    H    LEU  47           H        LEU  47   4.039  13.196   1.107
 1484    HA   LEU  47           HA       LEU  47   4.083  10.780   2.821
 1485   1HB   LEU  47          1HB       LEU  47   4.377  11.427  -0.120
 1486   2HB   LEU  47          2HB       LEU  47   4.774   9.821   0.488
 1487    HG   LEU  47           HG       LEU  47   2.459   9.841  -0.284
 1488   1HD1  LEU  47          1HD1      LEU  47   1.876   9.938   2.594
 1489   2HD1  LEU  47          2HD1      LEU  47   3.301   8.978   2.197
 1490   3HD1  LEU  47          3HD1      LEU  47   1.745   8.590   1.465
 1491   1HD2  LEU  47          1HD2      LEU  47   0.922  11.472   0.229
 1492   2HD2  LEU  47          2HD2      LEU  47   2.388  12.442   0.368
 1493   3HD2  LEU  47          3HD2      LEU  47   1.624  11.784   1.816
 1494    H    GLU  48           H        GLU  48   6.110  13.050   3.116
 1495    HA   GLU  48           HA       GLU  48   8.628  12.219   2.026
 1496   1HB   GLU  48          1HB       GLU  48   9.515  13.737   3.804
 1497   2HB   GLU  48          2HB       GLU  48   8.167  14.460   2.929
 1498   1HG   GLU  48          1HG       GLU  48   7.171  14.787   4.926
 1499   2HG   GLU  48          2HG       GLU  48   6.975  13.038   5.037
 1500    H    ASP  49           H        ASP  49   8.480   9.841   2.433
 1501    HA   ASP  49           HA       ASP  49   9.997   9.049   4.755
 1502   1HB   ASP  49          1HB       ASP  49   7.451   9.600   5.406
 1503   2HB   ASP  49          2HB       ASP  49   7.214   7.946   4.843
 1504    H    TYR  50           H        TYR  50   7.416   7.751   2.617
 1505    HA   TYR  50           HA       TYR  50   9.327   5.567   1.838
 1506   1HB   TYR  50          1HB       TYR  50   6.331   5.193   1.929
 1507   2HB   TYR  50          2HB       TYR  50   7.596   3.977   2.058
 1508    HD1  TYR  50           HD1      TYR  50   8.991   3.862   4.192
 1509    HD2  TYR  50           HD2      TYR  50   5.445   6.264   3.847
 1510    HE1  TYR  50           HE1      TYR  50   8.845   4.008   6.666
 1511    HE2  TYR  50           HE2      TYR  50   5.301   6.409   6.316
 1512    HH   TYR  50           HH       TYR  50   7.219   4.446   8.389
 1513    H    LEU  51           H        LEU  51   9.328   7.783   0.272
 1514    HA   LEU  51           HA       LEU  51   7.387   7.261  -1.945
 1515   1HB   LEU  51          1HB       LEU  51   8.676   9.604  -0.682
 1516   2HB   LEU  51          2HB       LEU  51   8.624   9.674  -2.443
 1517    HG   LEU  51           HG       LEU  51   6.216   9.076  -0.699
 1518   1HD1  LEU  51          1HD1      LEU  51   6.379  11.301  -0.219
 1519   2HD1  LEU  51          2HD1      LEU  51   5.735  11.502  -1.848
 1520   3HD1  LEU  51          3HD1      LEU  51   7.473  11.611  -1.567
 1521   1HD2  LEU  51          1HD2      LEU  51   5.199   9.928  -3.013
 1522   2HD2  LEU  51          2HD2      LEU  51   5.645   8.240  -2.778
 1523   3HD2  LEU  51          3HD2      LEU  51   6.737   9.327  -3.632
 1524    H    PHE  52           H        PHE  52   8.286   6.029  -3.544
 1525    HA   PHE  52           HA       PHE  52  11.200   6.135  -4.083
 1526   1HB   PHE  52          1HB       PHE  52   8.831   4.483  -4.995
 1527   2HB   PHE  52          2HB       PHE  52  10.396   4.348  -5.797
 1528    HD1  PHE  52           HD1      PHE  52   8.791   4.208  -2.418
 1529    HD2  PHE  52           HD2      PHE  52  12.074   2.966  -4.895
 1530    HE1  PHE  52           HE1      PHE  52   9.584   2.703  -0.613
 1531    HE2  PHE  52           HE2      PHE  52  12.866   1.461  -3.090
 1532    HZ   PHE  52           HZ       PHE  52  11.621   1.329  -0.949
 1533    H    SER  53           H        SER  53  11.846   7.797  -5.422
 1534    HA   SER  53           HA       SER  53   9.912   8.767  -7.485
 1535   1HB   SER  53          1HB       SER  53  10.889  10.247  -5.641
 1536   2HB   SER  53          2HB       SER  53  12.446  10.074  -6.449
 1537    HG   SER  53           HG       SER  53  10.577  11.795  -7.007
 1538    H    ARG  54           H        ARG  54  10.411   8.577  -9.629
 1539    HA   ARG  54           HA       ARG  54  13.124   7.520 -10.345
 1540   1HB   ARG  54          1HB       ARG  54  10.698   6.389 -10.732
 1541   2HB   ARG  54          2HB       ARG  54  10.783   7.371 -12.194
 1542   1HG   ARG  54          1HG       ARG  54  12.529   6.158 -13.069
 1543   2HG   ARG  54          2HG       ARG  54  13.219   5.811 -11.484
 1544   1HD   ARG  54          1HD       ARG  54  12.154   3.809 -11.411
 1545   2HD   ARG  54          2HD       ARG  54  10.595   4.580 -11.758
 1546    HE   ARG  54           HE       ARG  54  12.367   3.340 -13.723
 1547   1HH1  ARG  54          1HH1      ARG  54   9.956   5.789 -13.170
 1548   2HH1  ARG  54          2HH1      ARG  54   9.454   5.824 -14.825
 1549   1HH2  ARG  54          1HH2      ARG  54  11.699   3.404 -15.864
 1550   2HH2  ARG  54          2HH2      ARG  54  10.432   4.485 -16.340
 1551    H    LYS  55           H        LYS  55  13.374   8.095 -12.925
 1552    HA   LYS  55           HA       LYS  55  13.650  10.989 -12.997
 1553   1HB   LYS  55          1HB       LYS  55  14.101   8.733 -14.979
 1554   2HB   LYS  55          2HB       LYS  55  14.544  10.408 -15.306
 1555   1HG   LYS  55          1HG       LYS  55  15.554   9.769 -12.725
 1556   2HG   LYS  55          2HG       LYS  55  15.995   8.440 -13.797
 1557   1HD   LYS  55          1HD       LYS  55  17.021   9.984 -15.370
 1558   2HD   LYS  55          2HD       LYS  55  16.459  11.368 -14.434
 1559   1HE   LYS  55          1HE       LYS  55  17.793  10.130 -12.474
 1560   2HE   LYS  55          2HE       LYS  55  18.698   9.469 -13.849
 1561   1HZ   LYS  55          1HZ       LYS  55  19.009  11.692 -14.698
 1562   2HZ   LYS  55          2HZ       LYS  55  19.574  11.636 -13.097
 1563   3HZ   LYS  55          3HZ       LYS  55  18.073  12.352 -13.444
 1564    H    ASN  56           H        ASN  56  11.251  11.326 -12.720
 1565    HA   ASN  56           HA       ASN  56   9.399  10.685 -14.843
 1566   1HB   ASN  56          1HB       ASN  56  10.881  12.226 -16.059
 1567   2HB   ASN  56          2HB       ASN  56   9.330  13.018 -15.776
 1568   1HD2  ASN  56          1HD2      ASN  56  12.746  13.176 -15.114
 1569   2HD2  ASN  56          2HD2      ASN  56  12.699  14.552 -14.122
 1570    H    MET  57           H        MET  57   9.570  10.812 -11.881
 1571    HA   MET  57           HA       MET  57   8.181  13.068 -10.806
 1572   1HB   MET  57          1HB       MET  57   5.891  11.960 -10.684
 1573   2HB   MET  57          2HB       MET  57   6.377  12.449 -12.304
 1574   1HG   MET  57          1HG       MET  57   7.309   9.759 -11.669
 1575   2HG   MET  57          2HG       MET  57   5.557   9.893 -11.520
 1576   1HE   MET  57          1HE       MET  57   3.936  10.326 -13.277
 1577   2HE   MET  57          2HE       MET  57   4.271  10.962 -14.888
 1578   3HE   MET  57          3HE       MET  57   4.581  11.957 -13.465
 1579    H    SER  58           H        SER  58   6.606  11.954  -8.862
 1580    HA   SER  58           HA       SER  58   8.469  10.066  -7.458
 1581   1HB   SER  58          1HB       SER  58   6.530  12.017  -6.190
 1582   2HB   SER  58          2HB       SER  58   7.947  11.265  -5.458
 1583    HG   SER  58           HG       SER  58   7.827  13.581  -6.661
 1584    H    ALA  59           H        ALA  59   7.410   8.477  -6.054
 1585    HA   ALA  59           HA       ALA  59   4.478   8.143  -6.375
 1586   1HB   ALA  59          1HB       ALA  59   6.664   6.520  -7.615
 1587   2HB   ALA  59          2HB       ALA  59   5.053   6.882  -8.236
 1588   3HB   ALA  59          3HB       ALA  59   5.264   5.639  -7.003
 1589    H    MET  60           H        MET  60   3.577   6.811  -4.710
 1590    HA   MET  60           HA       MET  60   5.362   6.376  -2.380
 1591   1HB   MET  60          1HB       MET  60   2.479   6.740  -2.955
 1592   2HB   MET  60          2HB       MET  60   2.830   5.626  -1.638
 1593   1HG   MET  60          1HG       MET  60   3.940   8.440  -1.865
 1594   2HG   MET  60          2HG       MET  60   2.572   7.978  -0.854
 1595   1HE   MET  60          1HE       MET  60   2.402   6.842   0.835
 1596   2HE   MET  60          2HE       MET  60   3.559   7.036   2.152
 1597   3HE   MET  60          3HE       MET  60   3.440   5.495   1.302
 1598    H    ALA  61           H        ALA  61   5.419   4.297  -1.289
 1599    HA   ALA  61           HA       ALA  61   5.399   2.031  -3.153
 1600   1HB   ALA  61          1HB       ALA  61   6.014   1.086  -0.633
 1601   2HB   ALA  61          2HB       ALA  61   6.452   2.789  -0.501
 1602   3HB   ALA  61          3HB       ALA  61   7.187   1.784  -1.750
 1603    H    LEU  62           H        LEU  62   3.296   1.350  -3.576
 1604    HA   LEU  62           HA       LEU  62   1.199   0.352  -3.191
 1605   1HB   LEU  62          1HB       LEU  62   0.822   1.366  -0.504
 1606   2HB   LEU  62          2HB       LEU  62   1.514   2.615  -1.531
 1607    HG   LEU  62           HG       LEU  62  -0.978   0.993  -2.146
 1608   1HD1  LEU  62          1HD1      LEU  62  -0.478   3.637  -0.899
 1609   2HD1  LEU  62          2HD1      LEU  62  -1.867   2.566  -0.733
 1610   3HD1  LEU  62          3HD1      LEU  62  -1.721   3.612  -2.145
 1611   1HD2  LEU  62          1HD2      LEU  62  -1.043   2.928  -3.951
 1612   2HD2  LEU  62          2HD2      LEU  62  -0.108   1.462  -4.248
 1613   3HD2  LEU  62          3HD2      LEU  62   0.701   2.927  -3.692
 1614    H    GLY  63           H        GLY  63   2.535  -1.710  -2.965
 1615   1HA   GLY  63          1HA       GLY  63   1.605  -3.226  -0.731
 1616   2HA   GLY  63          2HA       GLY  63   2.826  -3.769  -1.879
 1617    H    PHE  64           H        PHE  64   4.578  -4.416  -0.723
 1618    HA   PHE  64           HA       PHE  64   5.267  -3.082   1.822
 1619   1HB   PHE  64          1HB       PHE  64   6.468  -5.411   0.276
 1620   2HB   PHE  64          2HB       PHE  64   6.894  -4.964   1.928
 1621    HD1  PHE  64           HD1      PHE  64   4.587  -6.777  -0.163
 1622    HD2  PHE  64           HD2      PHE  64   5.036  -4.938   3.693
 1623    HE1  PHE  64           HE1      PHE  64   2.668  -8.096   0.690
 1624    HE2  PHE  64           HE2      PHE  64   3.118  -6.258   4.546
 1625    HZ   PHE  64           HZ       PHE  64   1.934  -7.837   3.044
 1626    H    GLY  65           H        GLY  65   5.587  -1.393  -0.475
 1627   1HA   GLY  65          1HA       GLY  65   8.412  -1.419  -1.238
 1628   2HA   GLY  65          2HA       GLY  65   7.227  -0.203  -1.702
 1629    H    ALA  66           H        ALA  66   6.454  -0.002   1.256
 1630    HA   ALA  66           HA       ALA  66   8.463   2.063   1.922
 1631   1HB   ALA  66          1HB       ALA  66   5.792   1.181   3.066
 1632   2HB   ALA  66          2HB       ALA  66   6.103   2.602   2.069
 1633   3HB   ALA  66          3HB       ALA  66   6.726   2.527   3.717
 1634    H    ILE  67           H        ILE  67   6.904  -0.660   3.671
 1635    HA   ILE  67           HA       ILE  67   8.432  -0.638   6.004
 1636    HB   ILE  67           HB       ILE  67   7.882  -3.098   6.039
 1637   1HG1  ILE  67          1HG1      ILE  67   6.256  -3.353   3.784
 1638   2HG1  ILE  67          2HG1      ILE  67   7.722  -2.587   3.172
 1639   1HG2  ILE  67          1HG2      ILE  67   5.882  -0.983   5.311
 1640   2HG2  ILE  67          2HG2      ILE  67   6.114  -1.816   6.848
 1641   3HG2  ILE  67          3HG2      ILE  67   5.341  -2.651   5.501
 1642   1HD1  ILE  67          1HD1      ILE  67   8.565  -4.588   4.991
 1643   2HD1  ILE  67          2HD1      ILE  67   8.743  -4.591   3.236
 1644   3HD1  ILE  67          3HD1      ILE  67   7.322  -5.325   3.979
 1645    H    PHE  68           H        PHE  68   9.478  -1.587   2.800
 1646    HA   PHE  68           HA       PHE  68  11.573  -3.358   3.265
 1647   1HB   PHE  68          1HB       PHE  68  10.921  -1.179   1.359
 1648   2HB   PHE  68          2HB       PHE  68  12.619  -1.644   1.395
 1649    HD1  PHE  68           HD1      PHE  68  12.443  -4.547   2.005
 1650    HD2  PHE  68           HD2      PHE  68  10.087  -2.106  -0.625
 1651    HE1  PHE  68           HE1      PHE  68  11.908  -6.542   0.632
 1652    HE2  PHE  68           HE2      PHE  68   9.550  -4.099  -1.998
 1653    HZ   PHE  68           HZ       PHE  68  10.460  -6.316  -1.370
 1654    H    ASN  69           H        ASN  69  13.302  -3.249   4.623
 1655    HA   ASN  69           HA       ASN  69  14.185  -0.614   5.666
 1656   1HB   ASN  69          1HB       ASN  69  14.365  -3.507   6.397
 1657   2HB   ASN  69          2HB       ASN  69  15.670  -2.464   6.960
 1658   1HD2  ASN  69          1HD2      ASN  69  13.716  -3.684   8.738
 1659   2HD2  ASN  69          2HD2      ASN  69  12.813  -2.432   9.443
 1660    H    HIS  70           H        HIS  70  16.695  -0.492   5.964
 1661    HA   HIS  70           HA       HIS  70  17.947  -1.126   3.327
 1662   1HB   HIS  70          1HB       HIS  70  17.859   1.227   4.083
 1663   2HB   HIS  70          2HB       HIS  70  18.684   0.784   5.578
 1664    HD1  HIS  70           HD1      HIS  70  19.474  -0.194   1.974
 1665    HD2  HIS  70           HD2      HIS  70  21.263   1.715   5.219
 1666    HE1  HIS  70           HE1      HIS  70  21.859   0.306   1.285
 1667    H    SER  71           H        SER  71  20.024  -2.162   3.290
 1668    HA   SER  71           HA       SER  71  21.133  -3.142   5.866
 1669   1HB   SER  71          1HB       SER  71  20.722  -5.402   5.380
 1670   2HB   SER  71          2HB       SER  71  19.269  -4.640   4.734
 1671    HG   SER  71           HG       SER  71  20.734  -6.179   3.401
 1672    H    LYS  72           H        LYS  72  23.363  -3.416   5.736
 1673    HA   LYS  72           HA       LYS  72  24.881  -2.266   3.654
 1674   1HB   LYS  72          1HB       LYS  72  25.588  -4.496   5.600
 1675   2HB   LYS  72          2HB       LYS  72  26.752  -3.469   4.764
 1676   1HG   LYS  72          1HG       LYS  72  25.043  -1.624   5.900
 1677   2HG   LYS  72          2HG       LYS  72  25.102  -2.889   7.127
 1678   1HD   LYS  72          1HD       LYS  72  27.331  -2.549   7.562
 1679   2HD   LYS  72          2HD       LYS  72  27.696  -2.111   5.893
 1680   1HE   LYS  72          1HE       LYS  72  26.716   0.102   6.207
 1681   2HE   LYS  72          2HE       LYS  72  26.181  -0.335   7.841
 1682   1HZ   LYS  72          1HZ       LYS  72  28.996  -0.343   6.871
 1683   2HZ   LYS  72          2HZ       LYS  72  28.488  -0.774   8.434
 1684   3HZ   LYS  72          3HZ       LYS  72  28.315   0.828   7.896
 1685    H    ASP  73           H        ASP  73  23.486  -5.469   3.903
 1686    HA   ASP  73           HA       ASP  73  24.799  -6.192   1.302
 1687   1HB   ASP  73          1HB       ASP  73  24.614  -8.543   2.170
 1688   2HB   ASP  73          2HB       ASP  73  25.623  -7.521   3.193
 1689    HA   PRO  74           HA       PRO  74  20.189  -5.930   0.770
 1690   1HB   PRO  74          1HB       PRO  74  20.433  -5.104  -1.885
 1691   2HB   PRO  74          2HB       PRO  74  20.251  -4.013  -0.501
 1692   1HG   PRO  74          1HG       PRO  74  22.691  -4.780  -2.008
 1693   2HG   PRO  74          2HG       PRO  74  22.265  -3.237  -1.256
 1694   1HD   PRO  74          1HD       PRO  74  24.045  -4.975  -0.171
 1695   2HD   PRO  74          2HD       PRO  74  23.040  -3.884   0.806
 1696    H    ASN  75           H        ASN  75  19.913  -8.196   0.745
 1697    HA   ASN  75           HA       ASN  75  21.054  -9.871  -1.360
 1698   1HB   ASN  75          1HB       ASN  75  18.949 -10.312   0.791
 1699   2HB   ASN  75          2HB       ASN  75  19.664 -11.598  -0.181
 1700   1HD2  ASN  75          1HD2      ASN  75  21.840 -12.258   0.314
 1701   2HD2  ASN  75          2HD2      ASN  75  22.689 -11.667   1.660
 1702    H    ALA  76           H        ALA  76  18.175  -7.971  -1.006
 1703    HA   ALA  76           HA       ALA  76  17.118  -9.164  -3.540
 1704   1HB   ALA  76          1HB       ALA  76  14.865  -9.058  -2.519
 1705   2HB   ALA  76          2HB       ALA  76  15.563  -8.400  -1.039
 1706   3HB   ALA  76          3HB       ALA  76  15.939 -10.051  -1.532
 1707    H    ARG  77           H        ARG  77  15.400  -7.622  -4.494
 1708    HA   ARG  77           HA       ARG  77  15.779  -4.776  -3.734
 1709   1HB   ARG  77          1HB       ARG  77  17.363  -6.015  -5.643
 1710   2HB   ARG  77          2HB       ARG  77  16.086  -5.289  -6.619
 1711   1HG   ARG  77          1HG       ARG  77  16.495  -3.111  -5.506
 1712   2HG   ARG  77          2HG       ARG  77  17.797  -3.846  -4.570
 1713   1HD   ARG  77          1HD       ARG  77  18.819  -4.515  -6.850
 1714   2HD   ARG  77          2HD       ARG  77  17.688  -3.341  -7.551
 1715    HE   ARG  77           HE       ARG  77  18.961  -1.610  -6.552
 1716   1HH1  ARG  77          1HH1      ARG  77  19.701  -4.689  -5.107
 1717   2HH1  ARG  77          2HH1      ARG  77  20.994  -4.053  -4.150
 1718   1HH2  ARG  77          1HH2      ARG  77  20.644  -0.808  -5.300
 1719   2HH2  ARG  77          2HH2      ARG  77  21.525  -1.874  -4.257
 1720    H    HIS  78           H        HIS  78  14.590  -3.680  -6.039
 1721    HA   HIS  78           HA       HIS  78  11.903  -5.015  -6.120
 1722   1HB   HIS  78          1HB       HIS  78  10.991  -2.670  -6.050
 1723   2HB   HIS  78          2HB       HIS  78  11.874  -3.105  -4.590
 1724    HD1  HIS  78           HD1      HIS  78  14.176  -1.971  -4.192
 1725    HD2  HIS  78           HD2      HIS  78  12.276  -0.716  -7.684
 1726    HE1  HIS  78           HE1      HIS  78  15.438   0.070  -4.999
 1727    H    GLU  79           H        GLU  79  10.592  -3.499  -7.864
 1728    HA   GLU  79           HA       GLU  79  12.331  -2.783 -10.120
 1729   1HB   GLU  79          1HB       GLU  79  11.596  -5.360  -9.956
 1730   2HB   GLU  79          2HB       GLU  79  10.137  -4.729 -10.720
 1731   1HG   GLU  79          1HG       GLU  79  11.483  -3.743 -12.520
 1732   2HG   GLU  79          2HG       GLU  79  12.961  -4.312 -11.746
 1733    H    LEU  80           H        LEU  80  10.920  -1.956 -11.990
 1734    HA   LEU  80           HA       LEU  80   8.278  -0.916 -11.061
 1735   1HB   LEU  80          1HB       LEU  80  10.805   0.521 -11.623
 1736   2HB   LEU  80          2HB       LEU  80   9.385   1.216 -12.403
 1737    HG   LEU  80           HG       LEU  80   9.155   0.423  -9.530
 1738   1HD1  LEU  80          1HD1      LEU  80  10.150   3.171 -10.108
 1739   2HD1  LEU  80          2HD1      LEU  80  11.337   1.868 -10.161
 1740   3HD1  LEU  80          3HD1      LEU  80  10.410   2.157  -8.689
 1741   1HD2  LEU  80          1HD2      LEU  80   7.167   1.380 -10.065
 1742   2HD2  LEU  80          2HD2      LEU  80   7.830   2.152 -11.506
 1743   3HD2  LEU  80          3HD2      LEU  80   8.035   2.909  -9.926
 1744    H    THR  81           H        THR  81   6.795  -1.326 -12.656
 1745    HA   THR  81           HA       THR  81   7.396  -2.478 -15.169
 1746    HB   THR  81           HB       THR  81   5.216  -2.540 -14.006
 1747    HG1  THR  81           HG1      THR  81   4.953  -2.920 -16.120
 1748   1HG2  THR  81          1HG2      THR  81   4.044  -0.663 -13.445
 1749   2HG2  THR  81          2HG2      THR  81   4.504   0.186 -14.921
 1750   3HG2  THR  81          3HG2      THR  81   5.629   0.101 -13.567
 1751    H    ALA  82           H        ALA  82   6.149  -1.081 -17.160
 1752    HA   ALA  82           HA       ALA  82   8.126   0.798 -18.022
 1753   1HB   ALA  82          1HB       ALA  82   6.053  -0.654 -19.098
 1754   2HB   ALA  82          2HB       ALA  82   6.928   0.607 -19.966
 1755   3HB   ALA  82          3HB       ALA  82   5.402   0.984 -19.167
 1756    H    GLY  83           H        GLY  83   8.279   2.415 -16.321
 1757   1HA   GLY  83          1HA       GLY  83   7.803   4.737 -15.890
 1758   2HA   GLY  83          2HA       GLY  83   6.188   4.504 -16.559
 1759    H    LEU  84           H        LEU  84   6.728   5.751 -14.030
 1760    HA   LEU  84           HA       LEU  84   6.502   4.103 -11.748
 1761   1HB   LEU  84          1HB       LEU  84   6.061   6.872 -12.566
 1762   2HB   LEU  84          2HB       LEU  84   4.919   6.385 -11.315
 1763    HG   LEU  84           HG       LEU  84   6.771   5.623  -9.894
 1764   1HD1  LEU  84          1HD1      LEU  84   8.932   6.829 -11.420
 1765   2HD1  LEU  84          2HD1      LEU  84   8.171   5.516 -12.318
 1766   3HD1  LEU  84          3HD1      LEU  84   8.835   5.216 -10.712
 1767   1HD2  LEU  84          1HD2      LEU  84   7.965   8.184 -10.466
 1768   2HD2  LEU  84          2HD2      LEU  84   6.923   7.730  -9.118
 1769   3HD2  LEU  84          3HD2      LEU  84   6.213   8.298 -10.628
 1770    H    LYS  85           H        LYS  85   5.024   2.414 -11.720
 1771    HA   LYS  85           HA       LYS  85   2.151   3.119 -11.781
 1772   1HB   LYS  85          1HB       LYS  85   3.663   1.753 -13.913
 1773   2HB   LYS  85          2HB       LYS  85   2.224   0.872 -13.399
 1774   1HG   LYS  85          1HG       LYS  85   2.207   3.817 -14.107
 1775   2HG   LYS  85          2HG       LYS  85   1.830   2.541 -15.264
 1776   1HD   LYS  85          1HD       LYS  85  -0.241   2.253 -14.407
 1777   2HD   LYS  85          2HD       LYS  85   0.373   2.211 -12.755
 1778   1HE   LYS  85          1HE       LYS  85   0.656   4.896 -13.635
 1779   2HE   LYS  85          2HE       LYS  85  -0.974   4.375 -14.103
 1780   1HZ   LYS  85          1HZ       LYS  85   0.173   3.732 -11.448
 1781   2HZ   LYS  85          2HZ       LYS  85  -1.457   3.706 -11.926
 1782   3HZ   LYS  85          3HZ       LYS  85  -0.656   5.189 -11.719
 1783    H    ARG  86           H        ARG  86   4.380   0.303 -11.791
 1784    HA   ARG  86           HA       ARG  86   2.957  -0.698  -9.349
 1785   1HB   ARG  86          1HB       ARG  86   3.270  -1.826 -12.040
 1786   2HB   ARG  86          2HB       ARG  86   3.817  -2.934 -10.782
 1787   1HG   ARG  86          1HG       ARG  86   1.712  -3.198  -9.916
 1788   2HG   ARG  86          2HG       ARG  86   1.252  -1.531 -10.259
 1789   1HD   ARG  86          1HD       ARG  86   0.510  -2.036 -12.387
 1790   2HD   ARG  86          2HD       ARG  86   1.712  -3.322 -12.609
 1791    HE   ARG  86           HE       ARG  86  -0.194  -3.936 -10.494
 1792   1HH1  ARG  86          1HH1      ARG  86   0.357  -3.977 -13.931
 1793   2HH1  ARG  86          2HH1      ARG  86  -0.762  -5.267 -14.206
 1794   1HH2  ARG  86          1HH2      ARG  86  -1.640  -5.609 -10.875
 1795   2HH2  ARG  86          2HH2      ARG  86  -1.885  -6.186 -12.490
 1796    H    MET  87           H        MET  87   4.358  -2.416  -8.221
 1797    HA   MET  87           HA       MET  87   7.279  -1.993  -8.693
 1798   1HB   MET  87          1HB       MET  87   5.605  -0.992  -6.532
 1799   2HB   MET  87          2HB       MET  87   6.879  -2.037  -5.902
 1800   1HG   MET  87          1HG       MET  87   8.427  -0.672  -7.522
 1801   2HG   MET  87          2HG       MET  87   7.129   0.521  -7.466
 1802   1HE   MET  87          1HE       MET  87   9.003  -1.957  -5.665
 1803   2HE   MET  87          2HE       MET  87   8.605  -1.656  -3.974
 1804   3HE   MET  87          3HE       MET  87  10.100  -1.014  -4.656
 1805    H    ARG  88           H        ARG  88   8.406  -3.896  -8.500
 1806    HA   ARG  88           HA       ARG  88   6.974  -6.240  -7.292
 1807   1HB   ARG  88          1HB       ARG  88   9.122  -6.082  -9.441
 1808   2HB   ARG  88          2HB       ARG  88   8.298  -7.552  -8.920
 1809   1HG   ARG  88          1HG       ARG  88   6.406  -7.055 -10.091
 1810   2HG   ARG  88          2HG       ARG  88   6.511  -5.334  -9.720
 1811   1HD   ARG  88          1HD       ARG  88   7.270  -5.015 -11.836
 1812   2HD   ARG  88          2HD       ARG  88   8.736  -5.902 -11.379
 1813    HE   ARG  88           HE       ARG  88   6.745  -7.843 -11.841
 1814   1HH1  ARG  88          1HH1      ARG  88   8.394  -5.352 -13.628
 1815   2HH1  ARG  88          2HH1      ARG  88   8.254  -6.188 -15.135
 1816   1HH2  ARG  88          1HH2      ARG  88   6.576  -8.908 -13.809
 1817   2HH2  ARG  88          2HH2      ARG  88   7.233  -8.185 -15.240
 1818    H    ILE  89           H        ILE  89   8.714  -7.975  -6.608
 1819    HA   ILE  89           HA       ILE  89  11.071  -6.636  -5.336
 1820    HB   ILE  89           HB       ILE  89   9.037  -8.524  -4.091
 1821   1HG1  ILE  89          1HG1      ILE  89   9.778  -5.689  -3.325
 1822   2HG1  ILE  89          2HG1      ILE  89   8.409  -6.087  -4.362
 1823   1HG2  ILE  89          1HG2      ILE  89  11.534  -7.286  -2.892
 1824   2HG2  ILE  89          2HG2      ILE  89  11.342  -8.988  -3.313
 1825   3HG2  ILE  89          3HG2      ILE  89  10.361  -8.281  -2.030
 1826   1HD1  ILE  89          1HD1      ILE  89   7.155  -6.817  -2.616
 1827   2HD1  ILE  89          2HD1      ILE  89   8.309  -5.940  -1.612
 1828   3HD1  ILE  89          3HD1      ILE  89   8.514  -7.670  -1.884
 1829    H    PHE  90           H        PHE  90  12.785  -7.673  -6.305
 1830    HA   PHE  90           HA       PHE  90  12.552 -10.601  -6.872
 1831   1HB   PHE  90          1HB       PHE  90  14.195  -8.294  -7.932
 1832   2HB   PHE  90          2HB       PHE  90  14.654  -9.962  -8.273
 1833    HD1  PHE  90           HD1      PHE  90  13.261 -11.395  -9.677
 1834    HD2  PHE  90           HD2      PHE  90  12.137  -7.335  -8.839
 1835    HE1  PHE  90           HE1      PHE  90  11.583 -11.483 -11.501
 1836    HE2  PHE  90           HE2      PHE  90  10.459  -7.423 -10.663
 1837    HZ   PHE  90           HZ       PHE  90  10.182  -9.497 -11.994
 1838    H    THR  91           H        THR  91  14.832 -11.707  -6.697
 1839    HA   THR  91           HA       THR  91  16.160 -10.805  -4.160
 1840    HB   THR  91           HB       THR  91  16.549 -13.393  -3.994
 1841    HG1  THR  91           HG1      THR  91  15.243 -14.609  -5.210
 1842   1HG2  THR  91          1HG2      THR  91  14.625 -11.670  -2.991
 1843   2HG2  THR  91          2HG2      THR  91  14.890 -13.329  -2.454
 1844   3HG2  THR  91          3HG2      THR  91  13.664 -12.982  -3.673
 1845    H    ILE  92           H        ILE  92  17.758  -9.686  -5.523
 1846    HA   ILE  92           HA       ILE  92  19.243 -10.712  -7.650
 1847    HB   ILE  92           HB       ILE  92  20.962  -9.107  -6.874
 1848   1HG1  ILE  92          1HG1      ILE  92  19.319  -8.939  -4.331
 1849   2HG1  ILE  92          2HG1      ILE  92  20.834  -9.832  -4.464
 1850   1HG2  ILE  92          1HG2      ILE  92  19.596  -7.423  -7.496
 1851   2HG2  ILE  92          2HG2      ILE  92  18.670  -7.553  -6.000
 1852   3HG2  ILE  92          3HG2      ILE  92  18.253  -8.561  -7.386
 1853   1HD1  ILE  92          1HD1      ILE  92  22.012  -7.933  -4.182
 1854   2HD1  ILE  92          2HD1      ILE  92  20.497  -7.062  -3.939
 1855   3HD1  ILE  92          3HD1      ILE  92  21.191  -7.192  -5.556
 1856    H    LYS  93           H        LYS  93  19.425 -11.622  -4.264
 1857    HA   LYS  93           HA       LYS  93  21.558 -13.596  -4.985
 1858   1HB   LYS  93          1HB       LYS  93  21.342 -11.840  -2.512
 1859   2HB   LYS  93          2HB       LYS  93  22.573 -13.078  -2.761
 1860   1HG   LYS  93          1HG       LYS  93  22.546 -11.436  -5.086
 1861   2HG   LYS  93          2HG       LYS  93  22.562 -10.363  -3.686
 1862   1HD   LYS  93          1HD       LYS  93  24.387 -12.173  -2.867
 1863   2HD   LYS  93          2HD       LYS  93  24.615 -12.313  -4.610
 1864   1HE   LYS  93          1HE       LYS  93  24.610  -9.652  -3.144
 1865   2HE   LYS  93          2HE       LYS  93  26.085 -10.556  -3.536
 1866   1HZ   LYS  93          1HZ       LYS  93  25.501  -8.978  -5.301
 1867   2HZ   LYS  93          2HZ       LYS  93  23.991  -9.733  -5.486
 1868   3HZ   LYS  93          3HZ       LYS  93  25.414 -10.582  -5.856
 1869    HA   PRO  94           HA       PRO  94  18.661 -16.557  -3.361
 1870   1HB   PRO  94          1HB       PRO  94  21.219 -17.817  -2.418
 1871   2HB   PRO  94          2HB       PRO  94  19.840 -18.566  -3.247
 1872   1HG   PRO  94          1HG       PRO  94  22.041 -17.987  -4.577
 1873   2HG   PRO  94          2HG       PRO  94  20.456 -17.707  -5.304
 1874   1HD   PRO  94          1HD       PRO  94  22.405 -15.747  -4.194
 1875   2HD   PRO  94          2HD       PRO  94  21.273 -15.575  -5.554
 1876    H    ILE  95           H        ILE  95  17.843 -17.139  -1.253
 1877    HA   ILE  95           HA       ILE  95  19.291 -15.891   1.056
 1878    HB   ILE  95           HB       ILE  95  16.346 -15.789   0.310
 1879   1HG1  ILE  95          1HG1      ILE  95  18.465 -13.630   0.554
 1880   2HG1  ILE  95          2HG1      ILE  95  17.803 -14.250  -0.959
 1881   1HG2  ILE  95          1HG2      ILE  95  16.725 -14.033   2.396
 1882   2HG2  ILE  95          2HG2      ILE  95  17.765 -15.380   2.859
 1883   3HG2  ILE  95          3HG2      ILE  95  16.049 -15.654   2.559
 1884   1HD1  ILE  95          1HD1      ILE  95  15.558 -13.483  -0.300
 1885   2HD1  ILE  95          2HD1      ILE  95  16.699 -12.138  -0.289
 1886   3HD1  ILE  95          3HD1      ILE  95  16.203 -12.887   1.229
 1887    H    ALA  96           H        ALA  96  19.041 -16.990   3.048
 1888    HA   ALA  96           HA       ALA  96  18.145 -19.811   2.816
 1889   1HB   ALA  96          1HB       ALA  96  19.574 -18.304   5.037
 1890   2HB   ALA  96          2HB       ALA  96  20.397 -19.113   3.703
 1891   3HB   ALA  96          3HB       ALA  96  19.465 -20.056   4.866
 1892    H    ILE  97           H        ILE  97  16.751 -20.726   4.498
 1893    HA   ILE  97           HA       ILE  97  14.450 -19.152   5.130
 1894    HB   ILE  97           HB       ILE  97  15.564 -21.739   6.278
 1895   1HG1  ILE  97          1HG1      ILE  97  13.313 -21.479   4.299
 1896   2HG1  ILE  97          2HG1      ILE  97  14.986 -21.432   3.742
 1897   1HG2  ILE  97          1HG2      ILE  97  13.846 -21.687   7.733
 1898   2HG2  ILE  97          2HG2      ILE  97  12.731 -21.674   6.367
 1899   3HG2  ILE  97          3HG2      ILE  97  13.290 -20.153   7.064
 1900   1HD1  ILE  97          1HD1      ILE  97  15.307 -23.649   4.147
 1901   2HD1  ILE  97          2HD1      ILE  97  13.546 -23.735   4.121
 1902   3HD1  ILE  97          3HD1      ILE  97  14.400 -23.599   5.659
 1903    H    GLY  98           H        GLY  98  14.606 -17.401   6.501
 1904   1HA   GLY  98          1HA       GLY  98  14.557 -16.858   8.942
 1905   2HA   GLY  98          2HA       GLY  98  16.011 -17.842   9.105
 1906    H    GLU  99           H        GLU  99  15.567 -15.709   6.360
 1907    HA   GLU  99           HA       GLU  99  17.834 -14.045   7.388
 1908   1HB   GLU  99          1HB       GLU  99  16.742 -14.774   4.659
 1909   2HB   GLU  99          2HB       GLU  99  17.900 -13.462   4.859
 1910   1HG   GLU  99          1HG       GLU  99  18.310 -16.364   5.643
 1911   2HG   GLU  99          2HG       GLU  99  19.095 -15.517   4.311
 1912    H    GLU 100           H        GLU 100  17.644 -11.728   6.171
 1913    HA   GLU 100           HA       GLU 100  14.864 -10.720   6.689
 1914   1HB   GLU 100          1HB       GLU 100  17.043 -10.183   8.177
 1915   2HB   GLU 100          2HB       GLU 100  17.273  -8.959   6.928
 1916   1HG   GLU 100          1HG       GLU 100  14.550  -8.807   7.551
 1917   2HG   GLU 100          2HG       GLU 100  15.341  -9.028   9.111
 1918    H    ILE 101           H        ILE 101  13.942  -9.920   4.849
 1919    HA   ILE 101           HA       ILE 101  15.626  -9.372   2.487
 1920    HB   ILE 101           HB       ILE 101  12.628  -9.325   2.988
 1921   1HG1  ILE 101          1HG1      ILE 101  14.365 -11.416   1.646
 1922   2HG1  ILE 101          2HG1      ILE 101  13.757 -11.537   3.297
 1923   1HG2  ILE 101          1HG2      ILE 101  12.314  -9.077   0.677
 1924   2HG2  ILE 101          2HG2      ILE 101  13.958  -9.595   0.303
 1925   3HG2  ILE 101          3HG2      ILE 101  13.672  -7.996   0.991
 1926   1HD1  ILE 101          1HD1      ILE 101  11.492 -11.633   2.563
 1927   2HD1  ILE 101          2HD1      ILE 101  12.373 -12.712   1.482
 1928   3HD1  ILE 101          3HD1      ILE 101  11.918 -11.097   0.938
 1929    H    THR 102           H        THR 102  16.192  -7.347   1.853
 1930    HA   THR 102           HA       THR 102  14.590  -4.986   2.636
 1931    HB   THR 102           HB       THR 102  16.934  -4.057   3.488
 1932    HG1  THR 102           HG1      THR 102  18.311  -5.647   3.277
 1933   1HG2  THR 102          1HG2      THR 102  15.619  -6.046   5.317
 1934   2HG2  THR 102          2HG2      THR 102  14.709  -4.643   4.755
 1935   3HG2  THR 102          3HG2      THR 102  16.196  -4.419   5.676
 1936    H    ILE 103           H        ILE 103  14.930  -3.272   1.162
 1937    HA   ILE 103           HA       ILE 103  16.762  -3.892  -1.118
 1938    HB   ILE 103           HB       ILE 103  15.261  -2.309  -2.324
 1939   1HG1  ILE 103          1HG1      ILE 103  13.151  -2.118  -0.406
 1940   2HG1  ILE 103          2HG1      ILE 103  14.629  -1.524   0.351
 1941   1HG2  ILE 103          1HG2      ILE 103  13.444  -3.794  -2.490
 1942   2HG2  ILE 103          2HG2      ILE 103  13.507  -4.209  -0.777
 1943   3HG2  ILE 103          3HG2      ILE 103  14.740  -4.823  -1.880
 1944   1HD1  ILE 103          1HD1      ILE 103  13.395  -0.587  -2.253
 1945   2HD1  ILE 103          2HD1      ILE 103  15.010  -0.118  -1.719
 1946   3HD1  ILE 103          3HD1      ILE 103  13.597   0.346  -0.770
 1947    H    SER 104           H        SER 104  17.950  -2.038  -2.062
 1948    HA   SER 104           HA       SER 104  18.991  -0.245   0.061
 1949   1HB   SER 104          1HB       SER 104  20.493  -1.600  -1.377
 1950   2HB   SER 104          2HB       SER 104  19.838  -0.805  -2.808
 1951    HG   SER 104           HG       SER 104  21.865   0.047  -1.829
 1952    H    TYR 105           H        TYR 105  19.810   1.947  -1.334
 1953    HA   TYR 105           HA       TYR 105  17.285   3.092  -2.486
 1954   1HB   TYR 105          1HB       TYR 105  19.390   4.347  -0.682
 1955   2HB   TYR 105          2HB       TYR 105  17.974   5.184  -1.317
 1956    HD1  TYR 105           HD1      TYR 105  19.102   3.960   1.602
 1957    HD2  TYR 105           HD2      TYR 105  15.799   3.325  -1.070
 1958    HE1  TYR 105           HE1      TYR 105  17.745   3.092   3.486
 1959    HE2  TYR 105           HE2      TYR 105  14.442   2.457   0.815
 1960    HH   TYR 105           HH       TYR 105  14.653   1.569   2.974
 1961    H    GLY 106           H        GLY 106  20.679   4.187  -2.138
 1962   1HA   GLY 106          1HA       GLY 106  22.265   4.530  -3.897
 1963   2HA   GLY 106          2HA       GLY 106  20.999   4.183  -5.074
 1964    H    ASP 107           H        ASP 107  22.017   6.218  -6.046
 1965    HA   ASP 107           HA       ASP 107  21.856   8.511  -6.552
 1966   1HB   ASP 107          1HB       ASP 107  19.522   7.869  -6.790
 1967   2HB   ASP 107          2HB       ASP 107  19.271   7.975  -5.050
 1968    H    ASP 108           H        ASP 108  20.028   8.952  -3.555
 1969    HA   ASP 108           HA       ASP 108  22.441  10.218  -2.316
 1970   1HB   ASP 108          1HB       ASP 108  20.582  11.657  -3.587
 1971   2HB   ASP 108          2HB       ASP 108  19.727  11.466  -2.056
 1972    H    TYR 109           H        TYR 109  19.170   8.888  -1.831
 1973    HA   TYR 109           HA       TYR 109  18.871   9.026   0.930
 1974   1HB   TYR 109          1HB       TYR 109  18.007   7.336  -1.303
 1975   2HB   TYR 109          2HB       TYR 109  18.025   6.460   0.227
 1976    HD1  TYR 109           HD1      TYR 109  17.358  10.076  -0.480
 1977    HD2  TYR 109           HD2      TYR 109  15.784   6.338   0.936
 1978    HE1  TYR 109           HE1      TYR 109  15.261  11.215   0.198
 1979    HE2  TYR 109           HE2      TYR 109  13.689   7.478   1.614
 1980    HH   TYR 109           HH       TYR 109  12.523   9.912   0.635
 1981    H    TRP 110           H        TRP 110  20.290   8.476   2.515
 1982    HA   TRP 110           HA       TRP 110  21.940   7.301   3.716
 1983   1HB   TRP 110          1HB       TRP 110  20.130   5.607   3.533
 1984   2HB   TRP 110          2HB       TRP 110  20.811   5.054   2.004
 1985    HD1  TRP 110           HD1      TRP 110  23.075   3.695   2.068
 1986    HE1  TRP 110           HE1      TRP 110  24.312   2.474   3.973
 1987    HE3  TRP 110           HE3      TRP 110  20.654   5.676   6.105
 1988    HZ2  TRP 110           HZ2      TRP 110  24.279   2.354   6.831
 1989    HZ3  TRP 110           HZ3      TRP 110  21.276   4.992   8.404
 1990    HH2  TRP 110           HH2      TRP 110  23.084   3.335   8.772
 1991    H    LEU 111           H        LEU 111  23.995   5.959   3.387
 1992    HA   LEU 111           HA       LEU 111  25.626   7.073   1.341
 1993   1HB   LEU 111          1HB       LEU 111  25.749   5.098   3.495
 1994   2HB   LEU 111          2HB       LEU 111  26.766   4.635   2.131
 1995    HG   LEU 111           HG       LEU 111  26.965   7.486   2.779
 1996   1HD1  LEU 111          1HD1      LEU 111  27.921   7.361   4.916
 1997   2HD1  LEU 111          2HD1      LEU 111  28.212   5.627   4.790
 1998   3HD1  LEU 111          3HD1      LEU 111  26.575   6.230   5.044
 1999   1HD2  LEU 111          1HD2      LEU 111  28.440   5.883   1.326
 2000   2HD2  LEU 111          2HD2      LEU 111  29.173   5.443   2.868
 2001   3HD2  LEU 111          3HD2      LEU 111  29.233   7.114   2.309
 2002    H    SER 112           H        SER 112  26.976   5.184  -0.001
 2003    HA   SER 112           HA       SER 112  25.173   3.230  -1.265
 2004   1HB   SER 112          1HB       SER 112  25.262   5.887  -2.163
 2005   2HB   SER 112          2HB       SER 112  26.296   5.012  -3.292
 2006    HG   SER 112           HG       SER 112  24.575   3.521  -3.568
 2007    H    ARG 113           H        ARG 113  28.276   4.984  -1.439
 2008    HA   ARG 113           HA       ARG 113  29.753   3.288  -3.098
 2009   1HB   ARG 113          1HB       ARG 113  30.173   5.391  -1.254
 2010   2HB   ARG 113          2HB       ARG 113  31.293   4.110  -0.789
 2011   1HG   ARG 113          1HG       ARG 113  32.629   4.826  -2.462
 2012   2HG   ARG 113          2HG       ARG 113  31.433   4.169  -3.579
 2013   1HD   ARG 113          1HD       ARG 113  31.257   6.971  -2.419
 2014   2HD   ARG 113          2HD       ARG 113  31.980   6.604  -3.997
 2015    HE   ARG 113           HE       ARG 113  29.468   5.301  -3.910
 2016   1HH1  ARG 113          1HH1      ARG 113  30.745   8.539  -3.845
 2017   2HH1  ARG 113          2HH1      ARG 113  29.342   9.225  -4.588
 2018   1HH2  ARG 113          1HH2      ARG 113  27.657   6.216  -4.873
 2019   2HH2  ARG 113          2HH2      ARG 113  27.607   7.923  -5.166
 2020    HA   PRO 114           HA       PRO 114  30.867   0.702   0.937
 2021   1HB   PRO 114          1HB       PRO 114  28.226   0.995   2.292
 2022   2HB   PRO 114          2HB       PRO 114  29.851   0.961   2.998
 2023   1HG   PRO 114          1HG       PRO 114  28.414   3.224   2.772
 2024   2HG   PRO 114          2HG       PRO 114  30.179   3.198   2.675
 2025   1HD   PRO 114          1HD       PRO 114  28.177   3.572   0.526
 2026   2HD   PRO 114          2HD       PRO 114  29.844   4.165   0.640
 2027    H    ARG 115           H        ARG 115  30.644  -0.925  -0.677
 2028    HA   ARG 115           HA       ARG 115  27.924  -1.990  -1.237
 2029   1HB   ARG 115          1HB       ARG 115  30.453  -1.702  -2.594
 2030   2HB   ARG 115          2HB       ARG 115  30.002  -3.407  -2.582
 2031   1HG   ARG 115          1HG       ARG 115  28.765  -2.817  -4.411
 2032   2HG   ARG 115          2HG       ARG 115  27.607  -2.275  -3.196
 2033   1HD   ARG 115          1HD       ARG 115  29.146  -0.063  -3.310
 2034   2HD   ARG 115          2HD       ARG 115  29.388  -0.662  -4.962
 2035    HE   ARG 115           HE       ARG 115  26.602  -0.820  -4.173
 2036   1HH1  ARG 115          1HH1      ARG 115  29.090   1.343  -5.292
 2037   2HH1  ARG 115          2HH1      ARG 115  27.966   2.431  -6.028
 2038   1HH2  ARG 115          1HH2      ARG 115  25.163   0.609  -5.137
 2039   2HH2  ARG 115          2HH2      ARG 115  25.759   2.021  -5.943
 2040    H    LEU 116           H        LEU 116  30.924  -2.833   0.400
 2041    HA   LEU 116           HA       LEU 116  31.482  -4.668   1.770
 2042   1HB   LEU 116          1HB       LEU 116  28.593  -4.121   2.002
 2043   2HB   LEU 116          2HB       LEU 116  29.044  -5.755   2.488
 2044    HG   LEU 116           HG       LEU 116  31.015  -4.392   3.714
 2045   1HD1  LEU 116          1HD1      LEU 116  30.563  -2.206   4.155
 2046   2HD1  LEU 116          2HD1      LEU 116  28.838  -2.509   4.364
 2047   3HD1  LEU 116          3HD1      LEU 116  29.509  -2.314   2.745
 2048   1HD2  LEU 116          1HD2      LEU 116  29.626  -5.908   4.924
 2049   2HD2  LEU 116          2HD2      LEU 116  28.188  -4.926   4.646
 2050   3HD2  LEU 116          3HD2      LEU 116  29.447  -4.356   5.742
 2051    H    THR 117           H        THR 117  28.496  -6.215   0.659
 2052    HA   THR 117           HA       THR 117  29.733  -8.656  -0.077
 2053    HB   THR 117           HB       THR 117  27.200  -7.344  -1.136
 2054    HG1  THR 117           HG1      THR 117  26.312  -7.885   0.702
 2055   1HG2  THR 117          1HG2      THR 117  26.465  -9.778  -1.265
 2056   2HG2  THR 117          2HG2      THR 117  28.153 -10.214  -1.005
 2057   3HG2  THR 117          3HG2      THR 117  27.690  -9.298  -2.439
 2058    H    GLN 118           H        GLN 118  30.129  -9.524  -2.244
 2059    HA   GLN 118           HA       GLN 118  31.110  -9.382  -4.390
 2060   1HB   GLN 118          1HB       GLN 118  28.721  -7.744  -4.203
 2061   2HB   GLN 118          2HB       GLN 118  29.846  -7.046  -5.368
 2062   1HG   GLN 118          1HG       GLN 118  30.065  -9.402  -6.346
 2063   2HG   GLN 118          2HG       GLN 118  28.668  -9.832  -5.359
 2064   1HE2  GLN 118          1HE2      GLN 118  27.257  -7.301  -5.606
 2065   2HE2  GLN 118          2HE2      GLN 118  26.736  -7.161  -7.215
 2066    H    ASN 119           H        ASN 119  32.174  -7.592  -5.940
 2067    HA   ASN 119           HA       ASN 119  33.952  -5.961  -4.182
 2068   1HB   ASN 119          1HB       ASN 119  34.693  -7.779  -5.890
 2069   2HB   ASN 119          2HB       ASN 119  34.296  -6.583  -7.123
 2070   1HD2  ASN 119          1HD2      ASN 119  36.964  -7.341  -6.949
 2071   2HD2  ASN 119          2HD2      ASN 119  37.886  -6.097  -6.254
 2072   1H    GLY 201          1H        GLY 201  28.362  24.462  19.374
 2073   2H    GLY 201          2H        GLY 201  27.506  25.822  18.824
 2074   3H    GLY 201          3H        GLY 201  29.202  25.796  18.743
 2075   1HA   GLY 201          1HA       GLY 201  29.152  24.037  17.115
 2076   2HA   GLY 201          2HA       GLY 201  27.393  23.989  17.232
 2077    H    LYS 202           H        LYS 202  29.801  25.116  15.322
 2078    HA   LYS 202           HA       LYS 202  28.168  27.471  14.427
 2079   1HB   LYS 202          1HB       LYS 202  30.350  28.475  13.799
 2080   2HB   LYS 202          2HB       LYS 202  30.320  28.061  15.512
 2081   1HG   LYS 202          1HG       LYS 202  31.211  25.751  14.109
 2082   2HG   LYS 202          2HG       LYS 202  32.119  27.123  13.475
 2083   1HD   LYS 202          1HD       LYS 202  32.005  27.496  16.274
 2084   2HD   LYS 202          2HD       LYS 202  32.392  25.794  16.026
 2085   1HE   LYS 202          1HE       LYS 202  34.253  26.435  14.520
 2086   2HE   LYS 202          2HE       LYS 202  33.865  28.146  14.780
 2087   1HZ   LYS 202          1HZ       LYS 202  34.029  27.632  17.226
 2088   2HZ   LYS 202          2HZ       LYS 202  35.501  27.591  16.380
 2089   3HZ   LYS 202          3HZ       LYS 202  34.721  26.142  16.797
 2090    H    ALA 203           H        ALA 203  27.968  24.668  13.503
 2091    HA   ALA 203           HA       ALA 203  29.241  24.716  10.820
 2092   1HB   ALA 203          1HB       ALA 203  27.628  22.446  11.102
 2093   2HB   ALA 203          2HB       ALA 203  28.188  22.773  12.742
 2094   3HB   ALA 203          3HB       ALA 203  29.356  22.530  11.443
 2095    HA   PRO 204           HA       PRO 204  25.731  25.740   8.400
 2096   1HB   PRO 204          1HB       PRO 204  25.416  22.965   7.363
 2097   2HB   PRO 204          2HB       PRO 204  25.691  24.472   6.471
 2098   1HG   PRO 204          1HG       PRO 204  27.612  22.628   6.798
 2099   2HG   PRO 204          2HG       PRO 204  27.963  24.360   6.726
 2100   1HD   PRO 204          1HD       PRO 204  27.936  22.528   9.067
 2101   2HD   PRO 204          2HD       PRO 204  28.936  23.963   8.761
 2102    H    ARG 205           H        ARG 205  23.349  25.294   8.130
 2103    HA   ARG 205           HA       ARG 205  22.254  23.393  10.162
 2104   1HB   ARG 205          1HB       ARG 205  22.603  25.959  10.779
 2105   2HB   ARG 205          2HB       ARG 205  21.116  26.157   9.853
 2106   1HG   ARG 205          1HG       ARG 205  20.124  25.691  11.859
 2107   2HG   ARG 205          2HG       ARG 205  20.445  24.021  11.394
 2108   1HD   ARG 205          1HD       ARG 205  22.840  25.040  12.567
 2109   2HD   ARG 205          2HD       ARG 205  21.495  25.455  13.647
 2110    HE   ARG 205           HE       ARG 205  21.313  22.736  12.599
 2111   1HH1  ARG 205          1HH1      ARG 205  22.697  24.769  15.062
 2112   2HH1  ARG 205          2HH1      ARG 205  22.888  23.467  16.184
 2113   1HH2  ARG 205          1HH2      ARG 205  21.572  21.062  14.073
 2114   2HH2  ARG 205          2HH2      ARG 205  22.257  21.384  15.631
 2115    H    LYS 206           H        LYS 206  21.112  25.872   7.827
 2116    HA   LYS 206           HA       LYS 206  18.806  24.231   7.082
 2117   1HB   LYS 206          1HB       LYS 206  19.299  26.868   7.180
 2118   2HB   LYS 206          2HB       LYS 206  19.757  26.591   5.500
 2119   1HG   LYS 206          1HG       LYS 206  17.435  25.203   5.573
 2120   2HG   LYS 206          2HG       LYS 206  17.083  26.433   6.786
 2121   1HD   LYS 206          1HD       LYS 206  18.095  27.004   3.983
 2122   2HD   LYS 206          2HD       LYS 206  16.413  27.150   4.496
 2123   1HE   LYS 206          1HE       LYS 206  16.803  29.153   5.512
 2124   2HE   LYS 206          2HE       LYS 206  18.299  28.567   6.263
 2125   1HZ   LYS 206          1HZ       LYS 206  18.871  30.196   4.616
 2126   2HZ   LYS 206          2HZ       LYS 206  17.924  29.422   3.438
 2127   3HZ   LYS 206          3HZ       LYS 206  19.331  28.673   4.022
 2128    H    GLN 207           H        GLN 207  18.489  23.251   5.014
 2129    HA   GLN 207           HA       GLN 207  20.848  22.114   3.780
 2130   1HB   GLN 207          1HB       GLN 207  17.871  22.151   3.313
 2131   2HB   GLN 207          2HB       GLN 207  18.930  21.428   2.102
 2132   1HG   GLN 207          1HG       GLN 207  19.931  20.007   3.911
 2133   2HG   GLN 207          2HG       GLN 207  18.730  20.656   5.028
 2134   1HE2  GLN 207          1HE2      GLN 207  18.864  17.847   4.323
 2135   2HE2  GLN 207          2HE2      GLN 207  17.444  17.458   3.478
 2136    H    LEU 208           H        LEU 208  21.931  22.798   1.945
 2137    HA   LEU 208           HA       LEU 208  20.730  24.649   0.027
 2138   1HB   LEU 208          1HB       LEU 208  21.424  25.952   2.156
 2139   2HB   LEU 208          2HB       LEU 208  23.085  25.636   1.654
 2140    HG   LEU 208           HG       LEU 208  21.918  26.532  -0.683
 2141   1HD1  LEU 208          1HD1      LEU 208  19.876  27.280   0.246
 2142   2HD1  LEU 208          2HD1      LEU 208  20.864  28.739   0.171
 2143   3HD1  LEU 208          3HD1      LEU 208  20.663  27.889   1.703
 2144   1HD2  LEU 208          1HD2      LEU 208  23.116  28.695  -0.105
 2145   2HD2  LEU 208          2HD2      LEU 208  24.097  27.238   0.055
 2146   3HD2  LEU 208          3HD2      LEU 208  23.424  28.010   1.491
 2147    H    ALA 209           H        ALA 209  21.756  22.209  -0.564
 2148    HA   ALA 209           HA       ALA 209  24.297  22.883  -1.987
 2149   1HB   ALA 209          1HB       ALA 209  25.196  21.678  -0.214
 2150   2HB   ALA 209          2HB       ALA 209  24.790  20.338  -1.285
 2151   3HB   ALA 209          3HB       ALA 209  23.712  20.761   0.045
 2152    H    THR 210           H        THR 210  22.405  19.878  -1.595
 2153    HA   THR 210           HA       THR 210  21.651  20.038  -4.486
 2154    HB   THR 210           HB       THR 210  22.299  17.547  -4.518
 2155    HG1  THR 210           HG1      THR 210  22.455  17.195  -2.328
 2156   1HG2  THR 210          1HG2      THR 210  23.795  19.878  -4.930
 2157   2HG2  THR 210          2HG2      THR 210  24.197  18.261  -5.509
 2158   3HG2  THR 210          3HG2      THR 210  24.852  18.837  -3.976
 2159    H    LYS 211           H        LYS 211  19.670  18.982  -4.963
 2160    HA   LYS 211           HA       LYS 211  18.039  18.259  -2.568
 2161   1HB   LYS 211          1HB       LYS 211  17.665  19.628  -5.131
 2162   2HB   LYS 211          2HB       LYS 211  16.417  18.416  -4.842
 2163   1HG   LYS 211          1HG       LYS 211  17.196  20.317  -2.644
 2164   2HG   LYS 211          2HG       LYS 211  16.080  20.842  -3.905
 2165   1HD   LYS 211          1HD       LYS 211  15.018  18.414  -3.290
 2166   2HD   LYS 211          2HD       LYS 211  15.677  18.880  -1.722
 2167   1HE   LYS 211          1HE       LYS 211  14.350  21.145  -2.958
 2168   2HE   LYS 211          2HE       LYS 211  13.246  19.761  -2.840
 2169   1HZ   LYS 211          1HZ       LYS 211  13.463  21.200  -0.779
 2170   2HZ   LYS 211          2HZ       LYS 211  15.032  20.571  -0.615
 2171   3HZ   LYS 211          3HZ       LYS 211  13.690  19.532  -0.554
 2172    H    ALA 212           H        ALA 212  18.837  17.103  -5.857
 2173    HA   ALA 212           HA       ALA 212  18.660  14.946  -6.802
 2174   1HB   ALA 212          1HB       ALA 212  18.853  13.294  -4.568
 2175   2HB   ALA 212          2HB       ALA 212  19.587  14.800  -4.019
 2176   3HB   ALA 212          3HB       ALA 212  20.218  13.981  -5.448
 2177    H    ALA 213           H        ALA 213  17.502  12.602  -5.904
 2178    HA   ALA 213           HA       ALA 213  14.629  13.396  -5.658
 2179   1HB   ALA 213          1HB       ALA 213  14.197  11.465  -6.937
 2180   2HB   ALA 213          2HB       ALA 213  15.678  10.669  -6.405
 2181   3HB   ALA 213          3HB       ALA 213  15.756  11.984  -7.577
 2182    H    ARG 214           H        ARG 214  13.708  10.820  -4.847
 2183    HA   ARG 214           HA       ARG 214  14.511  10.892  -1.984
 2184   1HB   ARG 214          1HB       ARG 214  12.164   9.942  -3.611
 2185   2HB   ARG 214          2HB       ARG 214  12.400   9.298  -1.987
 2186   1HG   ARG 214          1HG       ARG 214  11.342  11.150  -1.239
 2187   2HG   ARG 214          2HG       ARG 214  12.802  12.037  -1.677
 2188   1HD   ARG 214          1HD       ARG 214  11.354  11.672  -4.090
 2189   2HD   ARG 214          2HD       ARG 214  10.181  12.209  -2.872
 2190    HE   ARG 214           HE       ARG 214  12.405  13.784  -3.905
 2191   1HH1  ARG 214          1HH1      ARG 214  10.404  13.156  -1.125
 2192   2HH1  ARG 214          2HH1      ARG 214  10.656  14.728  -0.451
 2193   1HH2  ARG 214          1HH2      ARG 214  12.717  15.818  -3.010
 2194   2HH2  ARG 214          2HH2      ARG 214  11.955  16.226  -1.508
 2195   1HN   MLZ 215          1HN       MLZ 215  13.197   7.973  -3.470
 2196    HA   MLZ 215           HA       MLZ 215  15.695   6.553  -2.671
 2197   1HB   MLZ 215          1HB       MLZ 215  12.902   5.570  -3.366
 2198   2HB   MLZ 215          2HB       MLZ 215  14.200   4.581  -2.703
 2199   1HG   MLZ 215          1HG       MLZ 215  13.298   7.070  -1.268
 2200   2HG   MLZ 215          2HG       MLZ 215  14.121   5.654  -0.614
 2201   1HD   MLZ 215          1HD       MLZ 215  11.234   5.910  -1.466
 2202   2HD   MLZ 215          2HD       MLZ 215  12.008   4.338  -1.270
 2203   1HE   MLZ 215          1HE       MLZ 215  10.891   5.982   0.772
 2204   2HE   MLZ 215          2HE       MLZ 215  12.646   5.949   1.022
 2205    HZ   MLZ 215           HZ       MLZ 215  12.414   3.464   0.495
 2206   1HCM  MLZ 215          1HCM      MLZ 215  11.894   2.954   2.812
 2207   2HCM  MLZ 215          2HCM      MLZ 215  11.301   4.604   3.002
 2208   3HCM  MLZ 215          3HCM      MLZ 215  13.006   4.314   2.660
 2209    H    SER 216           H        SER 216  17.062   5.878  -4.262
 2210    HA   SER 216           HA       SER 216  17.861   5.242  -6.387
 2211   1HB   SER 216          1HB       SER 216  16.726   7.659  -6.564
 2212   2HB   SER 216          2HB       SER 216  17.325   6.830  -8.000
 2213    HG   SER 216           HG       SER 216  15.036   7.713  -7.900
 2214    H    ALA 217           H        ALA 217  17.126   4.134  -8.496
 2215    HA   ALA 217           HA       ALA 217  15.345   1.940  -7.841
 2216   1HB   ALA 217          1HB       ALA 217  14.204   4.367  -8.764
 2217   2HB   ALA 217          2HB       ALA 217  13.389   2.814  -8.583
 2218   3HB   ALA 217          3HB       ALA 217  14.129   3.246 -10.124
 2219    HA   PRO 218           HA       PRO 218  17.694   0.197 -11.128
 2220   1HB   PRO 218          1HB       PRO 218  16.000  -1.805 -11.962
 2221   2HB   PRO 218          2HB       PRO 218  16.931  -1.888 -10.455
 2222   1HG   PRO 218          1HG       PRO 218  14.072  -1.161 -10.876
 2223   2HG   PRO 218          2HG       PRO 218  14.807  -2.152  -9.608
 2224   1HD   PRO 218          1HD       PRO 218  14.072   0.430  -9.231
 2225   2HD   PRO 218          2HD       PRO 218  15.428  -0.324  -8.367
 2226    H    ALA 219           H        ALA 219  17.761   0.108 -13.475
 2227    HA   ALA 219           HA       ALA 219  17.235   0.948 -15.619
 2228   1HB   ALA 219          1HB       ALA 219  14.517   0.779 -15.799
 2229   2HB   ALA 219          2HB       ALA 219  14.802  -0.230 -14.381
 2230   3HB   ALA 219          3HB       ALA 219  15.580  -0.623 -15.914
 2231    H    THR 220           H        THR 220  17.884   3.115 -14.454
 2232    HA   THR 220           HA       THR 220  15.662   4.963 -13.912
 2233    HB   THR 220           HB       THR 220  17.751   6.531 -13.759
 2234    HG1  THR 220           HG1      THR 220  19.177   5.276 -14.916
 2235   1HG2  THR 220          1HG2      THR 220  17.910   4.155 -11.920
 2236   2HG2  THR 220          2HG2      THR 220  16.483   5.191 -11.898
 2237   3HG2  THR 220          3HG2      THR 220  18.069   5.869 -11.534
 2238    H    GLY 221           H        GLY 221  15.265   6.886 -15.186
 2239   1HA   GLY 221          1HA       GLY 221  14.990   8.060 -17.198
 2240   2HA   GLY 221          2HA       GLY 221  16.630   7.548 -17.597
 2241   1HN   SAH 301          1HN       SAH 301 -10.898  -0.457  -8.130
 2242   2HN   SAH 301          2HN       SAH 301  -9.516   0.281  -7.471
 2243    HA   SAH 301           HA       SAH 301 -11.987   1.568  -8.466
 2244   1HB   SAH 301          1HB       SAH 301 -11.054   0.707  -6.017
 2245   2HB   SAH 301          2HB       SAH 301 -10.565   2.402  -6.022
 2246   1HG   SAH 301          1HG       SAH 301 -13.039   1.570  -5.274
 2247   2HG   SAH 301          2HG       SAH 301 -13.315   1.853  -6.992
 2248   1H5*  SAH 301          1H5*      SAH 301 -14.989   3.048  -5.668
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.799   4.584  -4.822
 2250    H4*  SAH 301           H4*      SAH 301 -14.301   5.415  -7.263
 2251    H3*  SAH 301           H3*      SAH 301 -16.567   5.330  -5.459
 2252   *HO3  SAH 301          *HO3      SAH 301 -16.893   7.382  -6.404
 2253    H2*  SAH 301           H2*      SAH 301 -18.216   4.618  -6.794
 2254   *HO2  SAH 301          *HO2      SAH 301 -17.308   6.831  -8.144
 2255    H1*  SAH 301           H1*      SAH 301 -16.868   4.242  -9.313
 2256    H8   SAH 301           H8       SAH 301 -16.324   1.585  -6.711
 2257   1HN6  SAH 301          1HN6      SAH 301 -20.372  -1.621  -9.901
 2258   2HN6  SAH 301          2HN6      SAH 301 -19.862  -1.518  -8.231
 2259    H2   SAH 301           H2       SAH 301 -20.889   2.758 -11.033
 2260   1HN   SAH 302          1HN       SAH 302  10.784  -0.460   8.100
 2261   2HN   SAH 302          2HN       SAH 302   9.414   0.280   7.423
 2262    HA   SAH 302           HA       SAH 302  11.878   1.555   8.451
 2263   1HB   SAH 302          1HB       SAH 302  10.969   0.701   5.990
 2264   2HB   SAH 302          2HB       SAH 302  10.483   2.397   5.987
 2265   1HG   SAH 302          1HG       SAH 302  12.965   1.559   5.269
 2266   2HG   SAH 302          2HG       SAH 302  13.221   1.843   6.991
 2267   1H5*  SAH 302          1H5*      SAH 302  14.914   3.032   5.688
 2268   2H5*  SAH 302          2H5*      SAH 302  14.738   4.567   4.837
 2269    H4*  SAH 302           H4*      SAH 302  14.210   5.404   7.271
 2270    H3*  SAH 302           H3*      SAH 302  16.498   5.312   5.495
 2271   *HO3  SAH 302          *HO3      SAH 302  16.817   7.364   6.444
 2272    H2*  SAH 302           H2*      SAH 302  18.129   4.598   6.852
 2273   *HO2  SAH 302          *HO2      SAH 302  17.208   6.814   8.188
 2274    H1*  SAH 302           H1*      SAH 302  16.749   4.228   9.354
 2275    H8   SAH 302           H8       SAH 302  16.232   1.568   6.745
 2276   1HN6  SAH 302          1HN6      SAH 302  20.233  -1.642   9.992
 2277   2HN6  SAH 302          2HN6      SAH 302  19.745  -1.540   8.316
 2278    H2   SAH 302           H2       SAH 302  20.745   2.738  11.126
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1  -0.899 -12.748  -7.775
    2   2H    MET   1          2H        MET   1  -0.099 -12.254  -6.360
    3   3H    MET   1          3H        MET   1   0.054 -11.343  -7.785
    4    HA   MET   1           HA       MET   1  -1.498 -10.352  -6.119
    5   1HB   MET   1          1HB       MET   1  -1.522 -10.610  -8.891
    6   2HB   MET   1          2HB       MET   1  -3.186 -10.959  -8.441
    7   1HG   MET   1          1HG       MET   1  -2.948  -8.567  -8.805
    8   2HG   MET   1          2HG       MET   1  -3.181  -8.866  -7.088
    9   1HE   MET   1          1HE       MET   1  -1.824  -7.004  -5.658
   10   2HE   MET   1          2HE       MET   1  -2.553  -6.443  -7.162
   11   3HE   MET   1          3HE       MET   1  -0.926  -5.924  -6.723
   12    H    PHE   2           H        PHE   2  -1.531 -13.327  -5.572
   13    HA   PHE   2           HA       PHE   2  -4.477 -13.574  -5.070
   14   1HB   PHE   2          1HB       PHE   2  -4.108 -16.036  -5.480
   15   2HB   PHE   2          2HB       PHE   2  -3.804 -15.040  -6.903
   16    HD1  PHE   2           HD1      PHE   2  -1.508 -14.597  -7.669
   17    HD2  PHE   2           HD2      PHE   2  -2.293 -17.147  -4.303
   18    HE1  PHE   2           HE1      PHE   2   0.811 -15.467  -7.788
   19    HE2  PHE   2           HE2      PHE   2   0.026 -18.017  -4.421
   20    HZ   PHE   2           HZ       PHE   2   1.578 -17.178  -6.164
   21    H    ASN   3           H        ASN   3  -4.981 -14.078  -2.964
   22    HA   ASN   3           HA       ASN   3  -2.705 -14.690  -1.114
   23   1HB   ASN   3          1HB       ASN   3  -5.072 -12.937  -1.103
   24   2HB   ASN   3          2HB       ASN   3  -4.885 -13.857   0.390
   25   1HD2  ASN   3          1HD2      ASN   3  -3.261 -11.495  -1.732
   26   2HD2  ASN   3          2HD2      ASN   3  -2.133 -10.980  -0.574
   27    H    ASP   4           H        ASP   4  -3.966 -16.806  -2.596
   28    HA   ASP   4           HA       ASP   4  -4.972 -18.909  -2.260
   29   1HB   ASP   4          1HB       ASP   4  -4.053 -18.065   0.504
   30   2HB   ASP   4          2HB       ASP   4  -4.644 -19.689   0.150
   31    H    ARG   5           H        ARG   5  -5.977 -17.815   0.951
   32    HA   ARG   5           HA       ARG   5  -8.641 -18.666   0.742
   33   1HB   ARG   5          1HB       ARG   5  -7.428 -16.348   2.293
   34   2HB   ARG   5          2HB       ARG   5  -8.971 -17.115   2.671
   35   1HG   ARG   5          1HG       ARG   5  -7.421 -19.313   2.594
   36   2HG   ARG   5          2HG       ARG   5  -6.198 -18.132   3.064
   37   1HD   ARG   5          1HD       ARG   5  -8.847 -18.160   4.498
   38   2HD   ARG   5          2HD       ARG   5  -7.586 -19.324   4.949
   39    HE   ARG   5           HE       ARG   5  -6.237 -16.904   4.769
   40   1HH1  ARG   5          1HH1      ARG   5  -9.029 -18.051   6.503
   41   2HH1  ARG   5          2HH1      ARG   5  -8.786 -16.969   7.830
   42   1HH2  ARG   5          1HH2      ARG   5  -5.942 -15.509   6.503
   43   2HH2  ARG   5          2HH2      ARG   5  -7.052 -15.540   7.832
   44    H    VAL   6           H        VAL   6  -7.245 -15.502  -0.114
   45    HA   VAL   6           HA       VAL   6  -9.793 -14.890  -1.573
   46    HB   VAL   6           HB       VAL   6  -8.153 -13.099   0.258
   47   1HG1  VAL   6          1HG1      VAL   6  -9.056 -11.922  -1.759
   48   2HG1  VAL   6          2HG1      VAL   6  -9.780 -11.355  -0.253
   49   3HG1  VAL   6          3HG1      VAL   6 -10.674 -12.455  -1.302
   50   1HG2  VAL   6          1HG2      VAL   6 -10.265 -13.032   1.570
   51   2HG2  VAL   6          2HG2      VAL   6  -9.610 -14.664   1.455
   52   3HG2  VAL   6          3HG2      VAL   6 -10.978 -14.189   0.449
   53    H    ILE   7           H        ILE   7  -9.464 -13.822  -3.563
   54    HA   ILE   7           HA       ILE   7  -6.586 -13.363  -4.305
   55    HB   ILE   7           HB       ILE   7  -7.726 -15.328  -5.348
   56   1HG1  ILE   7          1HG1      ILE   7  -7.329 -13.138  -7.397
   57   2HG1  ILE   7          2HG1      ILE   7  -5.984 -13.902  -6.550
   58   1HG2  ILE   7          1HG2      ILE   7  -9.840 -15.182  -6.109
   59   2HG2  ILE   7          2HG2      ILE   7  -9.417 -13.823  -7.156
   60   3HG2  ILE   7          3HG2      ILE   7  -9.891 -13.535  -5.480
   61   1HD1  ILE   7          1HD1      ILE   7  -6.173 -15.830  -7.743
   62   2HD1  ILE   7          2HD1      ILE   7  -7.070 -14.836  -8.890
   63   3HD1  ILE   7          3HD1      ILE   7  -7.936 -15.797  -7.692
   64    H    VAL   8           H        VAL   8  -6.329 -11.702  -6.081
   65    HA   VAL   8           HA       VAL   8  -8.183  -9.420  -5.586
   66    HB   VAL   8           HB       VAL   8  -5.426  -9.639  -6.853
   67   1HG1  VAL   8          1HG1      VAL   8  -5.397  -7.301  -7.046
   68   2HG1  VAL   8          2HG1      VAL   8  -6.713  -7.093  -5.892
   69   3HG1  VAL   8          3HG1      VAL   8  -7.052  -7.689  -7.517
   70   1HG2  VAL   8          1HG2      VAL   8  -6.285  -8.552  -4.154
   71   2HG2  VAL   8          2HG2      VAL   8  -4.632  -8.658  -4.761
   72   3HG2  VAL   8          3HG2      VAL   8  -5.538 -10.130  -4.408
   73    H    LYS   9           H        LYS   9  -9.593  -8.810  -7.159
   74    HA   LYS   9           HA       LYS   9  -8.964  -9.428  -9.999
   75   1HB   LYS   9          1HB       LYS   9 -11.482 -10.163  -8.478
   76   2HB   LYS   9          2HB       LYS   9 -11.297 -10.322 -10.223
   77   1HG   LYS   9          1HG       LYS   9  -9.074 -11.633  -9.413
   78   2HG   LYS   9          2HG       LYS   9 -10.122 -11.954  -8.036
   79   1HD   LYS   9          1HD       LYS   9 -11.902 -12.652  -9.728
   80   2HD   LYS   9          2HD       LYS   9 -10.624 -12.617 -10.943
   81   1HE   LYS   9          1HE       LYS   9  -9.309 -14.154  -9.312
   82   2HE   LYS   9          2HE       LYS   9 -10.882 -14.433  -8.541
   83   1HZ   LYS   9          1HZ       LYS   9 -10.250 -14.774 -11.431
   84   2HZ   LYS   9          2HZ       LYS   9 -11.790 -14.967 -10.741
   85   3HZ   LYS   9          3HZ       LYS   9 -10.532 -16.027 -10.320
   86    H    LYS  10           H        LYS  10 -10.691  -6.354 -10.762
   87    HA   LYS  10           HA       LYS  10  -9.679  -7.177 -12.691
   88   1HB   LYS  10          1HB       LYS  10  -7.942  -7.326 -10.480
   89   2HB   LYS  10          2HB       LYS  10  -7.722  -8.836 -11.348
   90   1HG   LYS  10          1HG       LYS  10  -7.591  -6.069 -12.576
   91   2HG   LYS  10          2HG       LYS  10  -6.201  -7.092 -12.212
   92   1HD   LYS  10          1HD       LYS  10  -6.523  -8.376 -14.055
   93   2HD   LYS  10          2HD       LYS  10  -8.267  -8.444 -13.807
   94   1HE   LYS  10          1HE       LYS  10  -7.946  -7.220 -15.854
   95   2HE   LYS  10          2HE       LYS  10  -8.308  -5.993 -14.625
   96   1HZ   LYS  10          1HZ       LYS  10  -5.823  -5.948 -14.222
   97   2HZ   LYS  10          2HZ       LYS  10  -6.348  -5.261 -15.684
   98   3HZ   LYS  10          3HZ       LYS  10  -5.656  -6.812 -15.675
   99    H    SER  11           H        SER  11 -11.925  -8.520 -12.276
  100    HA   SER  11           HA       SER  11 -11.295 -11.438 -12.337
  101   1HB   SER  11          1HB       SER  11 -13.091 -11.464 -10.950
  102   2HB   SER  11          2HB       SER  11 -13.286  -9.728 -11.158
  103    HG   SER  11           HG       SER  11 -14.937 -10.101 -12.365
  104    HA   PRO  12           HA       PRO  12 -12.458 -12.116 -16.515
  105   1HB   PRO  12          1HB       PRO  12 -15.049 -13.395 -15.779
  106   2HB   PRO  12          2HB       PRO  12 -13.699 -14.054 -16.720
  107   1HG   PRO  12          1HG       PRO  12 -14.212 -14.822 -14.196
  108   2HG   PRO  12          2HG       PRO  12 -12.573 -14.752 -14.854
  109   1HD   PRO  12          1HD       PRO  12 -13.913 -12.944 -12.929
  110   2HD   PRO  12          2HD       PRO  12 -12.194 -13.357 -13.089
  111    H    LEU  13           H        LEU  13 -14.793 -10.632 -14.394
  112    HA   LEU  13           HA       LEU  13 -16.316  -9.505 -16.694
  113   1HB   LEU  13          1HB       LEU  13 -16.723 -10.047 -13.802
  114   2HB   LEU  13          2HB       LEU  13 -17.493  -8.580 -14.406
  115    HG   LEU  13           HG       LEU  13 -19.001 -10.535 -14.604
  116   1HD1  LEU  13          1HD1      LEU  13 -18.238  -8.724 -16.674
  117   2HD1  LEU  13          2HD1      LEU  13 -19.809  -9.484 -16.421
  118   3HD1  LEU  13          3HD1      LEU  13 -18.597 -10.278 -17.427
  119   1HD2  LEU  13          1HD2      LEU  13 -18.379 -12.515 -15.566
  120   2HD2  LEU  13          2HD2      LEU  13 -16.755 -11.964 -15.153
  121   3HD2  LEU  13          3HD2      LEU  13 -17.380 -11.724 -16.785
  122    H    GLY  14           H        GLY  14 -14.247  -8.531 -13.975
  123   1HA   GLY  14          1HA       GLY  14 -12.771  -6.542 -14.548
  124   2HA   GLY  14          2HA       GLY  14 -14.251  -5.754 -15.091
  125    H    GLY  15           H        GLY  15 -12.844  -4.430 -13.191
  126   1HA   GLY  15          1HA       GLY  15 -13.641  -3.266 -11.228
  127   2HA   GLY  15          2HA       GLY  15 -14.617  -4.678 -10.821
  128    H    TYR  16           H        TYR  16 -11.864  -3.017  -9.966
  129    HA   TYR  16           HA       TYR  16 -10.209  -5.344  -9.215
  130   1HB   TYR  16          1HB       TYR  16  -9.928  -2.540  -9.684
  131   2HB   TYR  16          2HB       TYR  16  -9.423  -2.836  -8.022
  132    HD1  TYR  16           HD1      TYR  16  -8.118  -5.298  -7.884
  133    HD2  TYR  16           HD2      TYR  16  -8.167  -2.570 -11.201
  134    HE1  TYR  16           HE1      TYR  16  -5.983  -6.257  -8.704
  135    HE2  TYR  16           HE2      TYR  16  -6.032  -3.528 -12.021
  136    HH   TYR  16           HH       TYR  16  -4.028  -5.396 -10.175
  137    H    GLY  17           H        GLY  17 -12.341  -6.020  -7.899
  138   1HA   GLY  17          1HA       GLY  17 -12.225  -4.811  -5.167
  139   2HA   GLY  17          2HA       GLY  17 -13.591  -5.739  -5.790
  140    H    VAL  18           H        VAL  18 -13.150  -7.015  -3.689
  141    HA   VAL  18           HA       VAL  18 -10.784  -8.818  -3.928
  142    HB   VAL  18           HB       VAL  18 -12.884  -8.405  -1.769
  143   1HG1  VAL  18          1HG1      VAL  18 -11.642 -10.662  -1.903
  144   2HG1  VAL  18          2HG1      VAL  18 -11.571  -9.797  -0.368
  145   3HG1  VAL  18          3HG1      VAL  18 -10.196  -9.748  -1.473
  146   1HG2  VAL  18          1HG2      VAL  18 -11.211  -7.096  -0.625
  147   2HG2  VAL  18          2HG2      VAL  18 -11.365  -6.454  -2.260
  148   3HG2  VAL  18          3HG2      VAL  18 -10.000  -7.490  -1.845
  149    H    PHE  19           H        PHE  19 -11.060 -10.880  -4.722
  150    HA   PHE  19           HA       PHE  19 -13.814 -11.811  -5.307
  151   1HB   PHE  19          1HB       PHE  19 -11.205 -12.054  -6.441
  152   2HB   PHE  19          2HB       PHE  19 -11.742 -13.676  -6.002
  153    HD1  PHE  19           HD1      PHE  19 -12.730 -14.805  -7.772
  154    HD2  PHE  19           HD2      PHE  19 -13.437 -10.592  -7.322
  155    HE1  PHE  19           HE1      PHE  19 -14.242 -14.849  -9.736
  156    HE2  PHE  19           HE2      PHE  19 -14.950 -10.636  -9.287
  157    HZ   PHE  19           HZ       PHE  19 -15.351 -12.766 -10.496
  158    H    ALA  20           H        ALA  20 -14.834 -13.207  -3.965
  159    HA   ALA  20           HA       ALA  20 -13.387 -14.348  -1.666
  160   1HB   ALA  20          1HB       ALA  20 -16.014 -13.449  -2.348
  161   2HB   ALA  20          2HB       ALA  20 -15.436 -13.980  -0.769
  162   3HB   ALA  20          3HB       ALA  20 -16.143 -15.147  -1.888
  163    H    ARG  21           H        ARG  21 -12.106 -16.006  -2.667
  164    HA   ARG  21           HA       ARG  21 -13.209 -18.064  -4.383
  165   1HB   ARG  21          1HB       ARG  21 -10.734 -17.181  -3.653
  166   2HB   ARG  21          2HB       ARG  21 -10.874 -18.632  -2.668
  167   1HG   ARG  21          1HG       ARG  21 -11.033 -20.044  -4.513
  168   2HG   ARG  21          2HG       ARG  21 -11.634 -18.761  -5.564
  169   1HD   ARG  21          1HD       ARG  21  -9.514 -17.988  -6.047
  170   2HD   ARG  21          2HD       ARG  21  -8.887 -18.406  -4.441
  171    HE   ARG  21           HE       ARG  21  -9.514 -20.862  -5.560
  172   1HH1  ARG  21          1HH1      ARG  21  -7.586 -18.137  -6.551
  173   2HH1  ARG  21          2HH1      ARG  21  -6.489 -19.108  -7.470
  174   1HH2  ARG  21          1HH2      ARG  21  -8.077 -22.100  -6.760
  175   2HH2  ARG  21          2HH2      ARG  21  -6.763 -21.335  -7.589
  176    H    LYS  22           H        LYS  22 -13.131 -17.488  -0.956
  177    HA   LYS  22           HA       LYS  22 -14.082 -20.256  -0.368
  178   1HB   LYS  22          1HB       LYS  22 -12.515 -18.124   0.934
  179   2HB   LYS  22          2HB       LYS  22 -13.684 -18.875   2.007
  180   1HG   LYS  22          1HG       LYS  22 -12.422 -20.725   2.185
  181   2HG   LYS  22          2HG       LYS  22 -12.371 -20.899   0.429
  182   1HD   LYS  22          1HD       LYS  22 -10.605 -19.059   0.436
  183   2HD   LYS  22          2HD       LYS  22 -10.549 -19.252   2.186
  184   1HE   LYS  22          1HE       LYS  22  -8.805 -20.596   0.930
  185   2HE   LYS  22          2HE       LYS  22  -9.862 -21.589   1.949
  186   1HZ   LYS  22          1HZ       LYS  22 -10.634 -20.980  -0.834
  187   2HZ   LYS  22          2HZ       LYS  22 -11.070 -22.308   0.132
  188   3HZ   LYS  22          3HZ       LYS  22  -9.512 -22.219  -0.537
  189    H    SER  23           H        SER  23 -17.072 -18.899   1.383
  190    HA   SER  23           HA       SER  23 -14.752 -20.785   1.595
  191   1HB   SER  23          1HB       SER  23 -17.180 -21.510   1.101
  192   2HB   SER  23          2HB       SER  23 -16.372 -22.329   2.440
  193    HG   SER  23           HG       SER  23 -18.603 -21.353   2.717
  194    H    PHE  24           H        PHE  24 -16.873 -18.581   3.396
  195    HA   PHE  24           HA       PHE  24 -15.034 -18.884   5.749
  196   1HB   PHE  24          1HB       PHE  24 -16.249 -16.405   4.480
  197   2HB   PHE  24          2HB       PHE  24 -15.330 -16.394   5.985
  198    HD1  PHE  24           HD1      PHE  24 -15.026 -15.693   2.638
  199    HD2  PHE  24           HD2      PHE  24 -13.055 -17.970   5.701
  200    HE1  PHE  24           HE1      PHE  24 -12.910 -15.598   1.347
  201    HE2  PHE  24           HE2      PHE  24 -10.939 -17.875   4.410
  202    HZ   PHE  24           HZ       PHE  24 -10.867 -16.689   2.233
  203    H    GLU  25           H        GLU  25 -16.019 -18.243   7.823
  204    HA   GLU  25           HA       GLU  25 -18.959 -18.791   7.876
  205   1HB   GLU  25          1HB       GLU  25 -16.713 -19.774   9.266
  206   2HB   GLU  25          2HB       GLU  25 -17.577 -18.782  10.434
  207   1HG   GLU  25          1HG       GLU  25 -19.678 -20.019   9.589
  208   2HG   GLU  25          2HG       GLU  25 -18.557 -21.179   8.892
  209    H    LYS  26           H        LYS  26 -19.408 -17.724  10.483
  210    HA   LYS  26           HA       LYS  26 -19.302 -14.807   9.853
  211   1HB   LYS  26          1HB       LYS  26 -21.496 -15.930  10.224
  212   2HB   LYS  26          2HB       LYS  26 -20.979 -16.406  11.808
  213   1HG   LYS  26          1HG       LYS  26 -20.909 -14.158  12.577
  214   2HG   LYS  26          2HG       LYS  26 -21.001 -13.525  10.938
  215   1HD   LYS  26          1HD       LYS  26 -23.278 -14.704  10.784
  216   2HD   LYS  26          2HD       LYS  26 -23.175 -14.889  12.537
  217   1HE   LYS  26          1HE       LYS  26 -22.550 -12.161  11.625
  218   2HE   LYS  26          2HE       LYS  26 -24.212 -12.669  11.265
  219   1HZ   LYS  26          1HZ       LYS  26 -22.851 -12.987  13.894
  220   2HZ   LYS  26          2HZ       LYS  26 -24.458 -13.406  13.542
  221   3HZ   LYS  26          3HZ       LYS  26 -23.984 -11.775  13.535
  222    H    GLY  27           H        GLY  27 -17.305 -14.147  10.667
  223   1HA   GLY  27          1HA       GLY  27 -16.496 -13.102  12.820
  224   2HA   GLY  27          2HA       GLY  27 -16.832 -14.659  13.577
  225    H    GLU  28           H        GLU  28 -15.399 -14.276  10.365
  226    HA   GLU  28           HA       GLU  28 -12.881 -15.492  11.455
  227   1HB   GLU  28          1HB       GLU  28 -14.564 -15.897   9.002
  228   2HB   GLU  28          2HB       GLU  28 -12.831 -16.199   8.884
  229   1HG   GLU  28          1HG       GLU  28 -13.021 -17.692  10.893
  230   2HG   GLU  28          2HG       GLU  28 -14.769 -17.482  10.830
  231    H    LEU  29           H        LEU  29 -10.929 -14.527  10.845
  232    HA   LEU  29           HA       LEU  29 -11.078 -11.820   9.708
  233   1HB   LEU  29          1HB       LEU  29  -9.645 -12.397  11.635
  234   2HB   LEU  29          2HB       LEU  29  -8.784 -13.581  10.652
  235    HG   LEU  29           HG       LEU  29  -8.571 -11.350   9.088
  236   1HD1  LEU  29          1HD1      LEU  29  -7.916  -9.497  10.612
  237   2HD1  LEU  29          2HD1      LEU  29  -8.459 -10.459  11.986
  238   3HD1  LEU  29          3HD1      LEU  29  -9.621  -9.915  10.776
  239   1HD2  LEU  29          1HD2      LEU  29  -6.473 -12.136   9.335
  240   2HD2  LEU  29          2HD2      LEU  29  -6.895 -12.914  10.860
  241   3HD2  LEU  29          3HD2      LEU  29  -6.373 -11.230  10.844
  242    H    VAL  30           H        VAL  30 -10.470 -11.265   7.630
  243    HA   VAL  30           HA       VAL  30  -9.905 -13.472   5.737
  244    HB   VAL  30           HB       VAL  30 -10.414 -10.495   5.369
  245   1HG1  VAL  30          1HG1      VAL  30 -10.302 -10.830   3.126
  246   2HG1  VAL  30          2HG1      VAL  30 -11.118 -12.391   3.229
  247   3HG1  VAL  30          3HG1      VAL  30  -9.386 -12.278   3.543
  248   1HG2  VAL  30          1HG2      VAL  30 -12.343 -12.804   5.020
  249   2HG2  VAL  30          2HG2      VAL  30 -12.714 -11.080   4.972
  250   3HG2  VAL  30          3HG2      VAL  30 -12.249 -11.841   6.494
  251    H    GLU  31           H        GLU  31  -8.585 -10.168   6.190
  252    HA   GLU  31           HA       GLU  31  -5.823 -11.184   6.126
  253   1HB   GLU  31          1HB       GLU  31  -5.305  -9.946   4.035
  254   2HB   GLU  31          2HB       GLU  31  -6.546 -11.167   3.751
  255   1HG   GLU  31          1HG       GLU  31  -8.034  -8.965   4.507
  256   2HG   GLU  31          2HG       GLU  31  -6.725  -8.239   3.574
  257    H    GLU  32           H        GLU  32  -4.335  -9.565   6.863
  258    HA   GLU  32           HA       GLU  32  -5.545  -6.930   7.590
  259   1HB   GLU  32          1HB       GLU  32  -5.548  -8.273   9.566
  260   2HB   GLU  32          2HB       GLU  32  -3.975  -8.971   9.190
  261   1HG   GLU  32          1HG       GLU  32  -2.948  -6.732   9.504
  262   2HG   GLU  32          2HG       GLU  32  -4.519  -6.098   9.995
  263    H    CYS  33           H        CYS  33  -4.201  -5.186   7.174
  264    HA   CYS  33           HA       CYS  33  -1.320  -5.702   6.575
  265   1HB   CYS  33          1HB       CYS  33  -3.463  -4.458   4.839
  266   2HB   CYS  33          2HB       CYS  33  -1.759  -4.077   4.587
  267    HG   CYS  33           HG       CYS  33  -1.385  -6.731   4.286
  268    H    LEU  34           H        LEU  34  -0.283  -3.359   6.171
  269    HA   LEU  34           HA       LEU  34  -1.034  -1.743   8.539
  270   1HB   LEU  34          1HB       LEU  34   1.288  -1.980   6.634
  271   2HB   LEU  34          2HB       LEU  34   1.138  -0.540   7.639
  272    HG   LEU  34           HG       LEU  34   1.001  -1.985   9.655
  273   1HD1  LEU  34          1HD1      LEU  34   0.115  -4.029   8.891
  274   2HD1  LEU  34          2HD1      LEU  34   1.806  -4.418   9.205
  275   3HD1  LEU  34          3HD1      LEU  34   1.260  -4.129   7.553
  276   1HD2  LEU  34          1HD2      LEU  34   3.183  -1.151   9.135
  277   2HD2  LEU  34          2HD2      LEU  34   3.385  -2.308   7.819
  278   3HD2  LEU  34          3HD2      LEU  34   3.393  -2.865   9.492
  279    H    CYS  35           H        CYS  35  -0.950   0.708   8.211
  280    HA   CYS  35           HA       CYS  35  -1.875   1.589   5.520
  281   1HB   CYS  35          1HB       CYS  35  -3.358   1.929   8.155
  282   2HB   CYS  35          2HB       CYS  35  -3.834   2.687   6.638
  283    HG   CYS  35           HG       CYS  35  -4.630   0.475   5.741
  284    H    ILE  36           H        ILE  36  -2.046   4.061   5.505
  285    HA   ILE  36           HA       ILE  36   0.225   5.178   7.088
  286    HB   ILE  36           HB       ILE  36  -1.365   6.220   4.720
  287   1HG1  ILE  36          1HG1      ILE  36   1.493   5.293   4.652
  288   2HG1  ILE  36          2HG1      ILE  36   0.191   4.105   4.557
  289   1HG2  ILE  36          1HG2      ILE  36  -0.349   8.024   6.066
  290   2HG2  ILE  36          2HG2      ILE  36   0.469   7.859   4.512
  291   3HG2  ILE  36          3HG2      ILE  36   1.214   7.212   5.973
  292   1HD1  ILE  36          1HD1      ILE  36  -0.002   6.515   2.805
  293   2HD1  ILE  36          2HD1      ILE  36  -0.528   4.860   2.498
  294   3HD1  ILE  36          3HD1      ILE  36   1.180   5.282   2.367
  295    H    VAL  37           H        VAL  37  -0.126   7.417   8.008
  296    HA   VAL  37           HA       VAL  37  -2.975   8.013   8.665
  297    HB   VAL  37           HB       VAL  37  -0.699   7.650  10.651
  298   1HG1  VAL  37          1HG1      VAL  37  -2.020   9.068  11.852
  299   2HG1  VAL  37          2HG1      VAL  37  -3.023   7.635  12.081
  300   3HG1  VAL  37          3HG1      VAL  37  -3.420   8.796  10.814
  301   1HG2  VAL  37          1HG2      VAL  37  -1.277   5.464  10.106
  302   2HG2  VAL  37          2HG2      VAL  37  -2.942   5.895   9.714
  303   3HG2  VAL  37          3HG2      VAL  37  -2.431   5.796  11.399
  304    H    ARG  38           H        ARG  38  -3.203  10.127   8.069
  305    HA   ARG  38           HA       ARG  38  -1.184  12.101   9.014
  306   1HB   ARG  38          1HB       ARG  38  -2.149  11.650   6.174
  307   2HB   ARG  38          2HB       ARG  38  -1.315  13.118   6.676
  308   1HG   ARG  38          1HG       ARG  38  -0.209  10.307   6.952
  309   2HG   ARG  38          2HG       ARG  38   0.241  11.450   5.688
  310   1HD   ARG  38          1HD       ARG  38   0.869  13.061   7.610
  311   2HD   ARG  38          2HD       ARG  38   0.793  11.630   8.657
  312    HE   ARG  38           HE       ARG  38   2.824  12.157   6.627
  313   1HH1  ARG  38          1HH1      ARG  38   1.036   9.693   8.317
  314   2HH1  ARG  38          2HH1      ARG  38   2.252   8.488   8.073
  315   1HH2  ARG  38          1HH2      ARG  38   4.388  10.575   6.324
  316   2HH2  ARG  38          2HH2      ARG  38   4.137   8.981   6.953
  317    H    HIS  39           H        HIS  39  -2.142  14.080   9.561
  318    HA   HIS  39           HA       HIS  39  -4.897  14.237  10.150
  319   1HB   HIS  39          1HB       HIS  39  -2.609  16.149   9.802
  320   2HB   HIS  39          2HB       HIS  39  -4.226  16.813  10.031
  321    HD1  HIS  39           HD1      HIS  39  -3.990  17.595  12.444
  322    HD2  HIS  39           HD2      HIS  39  -2.937  13.592  11.945
  323    HE1  HIS  39           HE1      HIS  39  -3.694  16.637  14.769
  324    H    ASN  40           H        ASN  40  -5.954  16.546   9.127
  325    HA   ASN  40           HA       ASN  40  -6.497  15.777   6.305
  326   1HB   ASN  40          1HB       ASN  40  -8.329  16.013   7.968
  327   2HB   ASN  40          2HB       ASN  40  -7.865  17.694   8.230
  328   1HD2  ASN  40          1HD2      ASN  40 -10.189  18.097   7.431
  329   2HD2  ASN  40          2HD2      ASN  40 -10.441  18.190   5.755
  330    H    ASP  41           H        ASP  41  -5.432  16.891   4.741
  331    HA   ASP  41           HA       ASP  41  -5.362  19.763   4.592
  332   1HB   ASP  41          1HB       ASP  41  -3.618  18.838   6.442
  333   2HB   ASP  41          2HB       ASP  41  -2.605  18.676   5.008
  334    H    ASP  42           H        ASP  42  -2.593  19.563   3.231
  335    HA   ASP  42           HA       ASP  42  -3.366  19.110   0.560
  336   1HB   ASP  42          1HB       ASP  42  -0.684  18.609   1.914
  337   2HB   ASP  42          2HB       ASP  42  -0.920  18.905   0.192
  338    H    TRP  43           H        TRP  43  -2.240  16.841   3.021
  339    HA   TRP  43           HA       TRP  43  -1.986  14.500   1.368
  340   1HB   TRP  43          1HB       TRP  43  -1.037  14.470   3.551
  341   2HB   TRP  43          2HB       TRP  43  -2.489  15.158   4.276
  342    HD1  TRP  43           HD1      TRP  43  -4.358  13.547   5.060
  343    HE1  TRP  43           HE1      TRP  43  -4.577  10.982   5.186
  344    HE3  TRP  43           HE3      TRP  43  -0.300  12.176   2.278
  345    HZ2  TRP  43           HZ2      TRP  43  -3.212   8.659   4.235
  346    HZ3  TRP  43           HZ3      TRP  43   0.208   9.781   1.906
  347    HH2  TRP  43           HH2      TRP  43  -1.236   8.022   2.879
  348    H    GLY  44           H        GLY  44  -4.686  16.082   3.017
  349   1HA   GLY  44          1HA       GLY  44  -6.629  14.036   2.769
  350   2HA   GLY  44          2HA       GLY  44  -6.996  15.759   2.844
  351    H    THR  45           H        THR  45  -6.401  16.934   0.667
  352    HA   THR  45           HA       THR  45  -8.073  15.795  -1.389
  353    HB   THR  45           HB       THR  45  -5.970  17.929  -1.593
  354    HG1  THR  45           HG1      THR  45  -7.855  19.287  -1.110
  355   1HG2  THR  45          1HG2      THR  45  -6.736  17.523  -3.762
  356   2HG2  THR  45          2HG2      THR  45  -7.772  18.845  -3.218
  357   3HG2  THR  45          3HG2      THR  45  -8.378  17.189  -3.209
  358    H    ALA  46           H        ALA  46  -4.540  15.865  -0.956
  359    HA   ALA  46           HA       ALA  46  -3.822  14.900  -3.565
  360   1HB   ALA  46          1HB       ALA  46  -1.725  14.300  -2.407
  361   2HB   ALA  46          2HB       ALA  46  -2.535  14.442  -0.846
  362   3HB   ALA  46          3HB       ALA  46  -2.291  15.875  -1.846
  363    H    LEU  47           H        LEU  47  -3.991  13.105  -0.480
  364    HA   LEU  47           HA       LEU  47  -4.495  10.586  -1.971
  365   1HB   LEU  47          1HB       LEU  47  -3.769  11.377   0.858
  366   2HB   LEU  47          2HB       LEU  47  -4.304   9.739   0.490
  367    HG   LEU  47           HG       LEU  47  -1.864   9.836   0.409
  368   1HD1  LEU  47          1HD1      LEU  47  -3.525   8.891  -1.625
  369   2HD1  LEU  47          2HD1      LEU  47  -1.842   8.438  -1.357
  370   3HD1  LEU  47          3HD1      LEU  47  -2.237   9.743  -2.476
  371   1HD2  LEU  47          1HD2      LEU  47  -2.124  12.396  -0.379
  372   2HD2  LEU  47          2HD2      LEU  47  -1.861  11.646  -1.953
  373   3HD2  LEU  47          3HD2      LEU  47  -0.658  11.461  -0.676
  374    H    GLU  48           H        GLU  48  -6.575  12.673  -1.896
  375    HA   GLU  48           HA       GLU  48  -8.561  12.069   0.075
  376   1HB   GLU  48          1HB       GLU  48  -8.034  13.938  -1.875
  377   2HB   GLU  48          2HB       GLU  48  -9.466  13.156  -2.460
  378   1HG   GLU  48          1HG       GLU  48 -10.153  13.425   0.126
  379   2HG   GLU  48          2HG       GLU  48  -9.076  14.806  -0.060
  380    H    ASP  49           H        ASP  49  -7.498  10.087  -2.409
  381    HA   ASP  49           HA       ASP  49 -10.167   8.765  -2.614
  382   1HB   ASP  49          1HB       ASP  49  -8.966   9.820  -4.679
  383   2HB   ASP  49          2HB       ASP  49  -7.856   8.457  -4.539
  384    H    TYR  50           H        TYR  50 -10.122   6.470  -2.345
  385    HA   TYR  50           HA       TYR  50  -9.351   4.438  -1.396
  386   1HB   TYR  50          1HB       TYR  50  -6.649   5.499  -2.301
  387   2HB   TYR  50          2HB       TYR  50  -7.111   3.815  -2.101
  388    HD1  TYR  50           HD1      TYR  50  -9.510   3.321  -3.444
  389    HD2  TYR  50           HD2      TYR  50  -6.485   6.185  -4.506
  390    HE1  TYR  50           HE1      TYR  50 -10.293   3.281  -5.792
  391    HE2  TYR  50           HE2      TYR  50  -7.271   6.140  -6.857
  392    HH   TYR  50           HH       TYR  50  -9.556   3.790  -7.986
  393    H    LEU  51           H        LEU  51  -9.391   6.992   0.190
  394    HA   LEU  51           HA       LEU  51  -7.389   6.215   2.285
  395   1HB   LEU  51          1HB       LEU  51  -6.997   8.309   0.822
  396   2HB   LEU  51          2HB       LEU  51  -8.365   9.019   1.678
  397    HG   LEU  51           HG       LEU  51  -7.001   8.170   3.808
  398   1HD1  LEU  51          1HD1      LEU  51  -4.639   9.026   2.257
  399   2HD1  LEU  51          2HD1      LEU  51  -5.251   7.425   1.841
  400   3HD1  LEU  51          3HD1      LEU  51  -4.779   7.788   3.500
  401   1HD2  LEU  51          1HD2      LEU  51  -7.287  10.634   2.380
  402   2HD2  LEU  51          2HD2      LEU  51  -5.636  10.549   3.001
  403   3HD2  LEU  51          3HD2      LEU  51  -7.006  10.401   4.106
  404    H    PHE  52           H        PHE  52  -8.196   6.090   4.358
  405    HA   PHE  52           HA       PHE  52 -11.110   6.502   4.749
  406   1HB   PHE  52          1HB       PHE  52  -8.848   5.174   6.270
  407   2HB   PHE  52          2HB       PHE  52 -10.454   5.363   6.974
  408    HD1  PHE  52           HD1      PHE  52  -8.387   3.417   4.760
  409    HD2  PHE  52           HD2      PHE  52 -12.460   4.429   5.677
  410    HE1  PHE  52           HE1      PHE  52  -9.164   1.412   3.523
  411    HE2  PHE  52           HE2      PHE  52 -13.237   2.424   4.441
  412    HZ   PHE  52           HZ       PHE  52 -11.588   0.915   3.364
  413    H    SER  53           H        SER  53 -11.797   7.686   6.753
  414    HA   SER  53           HA       SER  53  -9.783   9.687   7.695
  415   1HB   SER  53          1HB       SER  53 -11.285  11.475   7.167
  416   2HB   SER  53          2HB       SER  53 -11.294  10.427   5.751
  417    HG   SER  53           HG       SER  53 -13.314  11.075   7.415
  418    H    ARG  54           H        ARG  54  -9.721   9.349   9.882
  419    HA   ARG  54           HA       ARG  54 -12.202   8.529  11.310
  420   1HB   ARG  54          1HB       ARG  54  -9.823   7.442  11.432
  421   2HB   ARG  54          2HB       ARG  54  -9.425   8.813  12.466
  422   1HG   ARG  54          1HG       ARG  54 -10.535   7.912  14.212
  423   2HG   ARG  54          2HG       ARG  54 -11.969   7.624  13.226
  424   1HD   ARG  54          1HD       ARG  54 -10.514   5.644  12.232
  425   2HD   ARG  54          2HD       ARG  54  -9.646   5.797  13.771
  426    HE   ARG  54           HE       ARG  54 -12.532   5.843  14.131
  427   1HH1  ARG  54          1HH1      ARG  54  -9.764   3.783  13.669
  428   2HH1  ARG  54          2HH1      ARG  54 -10.505   2.428  14.447
  429   1HH2  ARG  54          1HH2      ARG  54 -13.472   4.070  15.137
  430   2HH2  ARG  54          2HH2      ARG  54 -12.588   2.587  15.273
  431    H    LYS  55           H        LYS  55 -12.248   9.575  13.656
  432    HA   LYS  55           HA       LYS  55 -12.478  12.456  13.273
  433   1HB   LYS  55          1HB       LYS  55 -13.042  10.403  15.402
  434   2HB   LYS  55          2HB       LYS  55 -13.065  12.110  15.847
  435   1HG   LYS  55          1HG       LYS  55 -14.955  12.539  14.625
  436   2HG   LYS  55          2HG       LYS  55 -14.521  11.391  13.359
  437   1HD   LYS  55          1HD       LYS  55 -16.057  10.004  14.270
  438   2HD   LYS  55          2HD       LYS  55 -14.924   9.788  15.604
  439   1HE   LYS  55          1HE       LYS  55 -16.252  10.968  17.023
  440   2HE   LYS  55          2HE       LYS  55 -16.462  12.275  15.842
  441   1HZ   LYS  55          1HZ       LYS  55 -17.767   9.625  15.555
  442   2HZ   LYS  55          2HZ       LYS  55 -18.124  11.059  14.718
  443   3HZ   LYS  55          3HZ       LYS  55 -18.516  10.916  16.365
  444    H    ASN  56           H        ASN  56 -10.246  13.032  12.933
  445    HA   ASN  56           HA       ASN  56  -8.340  12.616  15.163
  446   1HB   ASN  56          1HB       ASN  56  -9.650  14.616  15.760
  447   2HB   ASN  56          2HB       ASN  56  -8.015  15.099  15.308
  448   1HD2  ASN  56          1HD2      ASN  56 -11.401  15.258  14.369
  449   2HD2  ASN  56          2HD2      ASN  56 -11.180  16.292  13.040
  450    H    MET  57           H        MET  57  -8.684  11.972  12.193
  451    HA   MET  57           HA       MET  57  -6.852  13.571  10.660
  452   1HB   MET  57          1HB       MET  57  -4.878  12.074  10.817
  453   2HB   MET  57          2HB       MET  57  -5.277  12.737  12.392
  454   1HG   MET  57          1HG       MET  57  -6.523  10.162  11.629
  455   2HG   MET  57          2HG       MET  57  -4.814  10.133  11.994
  456   1HE   MET  57          1HE       MET  57  -3.773  11.049  13.604
  457   2HE   MET  57          2HE       MET  57  -4.099   9.854  14.860
  458   3HE   MET  57          3HE       MET  57  -4.292  11.573  15.208
  459    H    SER  58           H        SER  58  -5.646  11.478   9.148
  460    HA   SER  58           HA       SER  58  -7.941   9.789   8.263
  461   1HB   SER  58          1HB       SER  58  -6.168  11.463   6.449
  462   2HB   SER  58          2HB       SER  58  -7.588  10.535   5.968
  463    HG   SER  58           HG       SER  58  -7.401  12.979   7.259
  464    H    ALA  59           H        ALA  59  -7.100   8.096   6.632
  465    HA   ALA  59           HA       ALA  59  -4.205   7.511   6.906
  466   1HB   ALA  59          1HB       ALA  59  -4.978   6.409   8.844
  467   2HB   ALA  59          2HB       ALA  59  -5.029   5.121   7.641
  468   3HB   ALA  59          3HB       ALA  59  -6.510   5.966   8.091
  469    H    MET  60           H        MET  60  -3.452   6.077   5.262
  470    HA   MET  60           HA       MET  60  -5.317   5.791   2.966
  471   1HB   MET  60          1HB       MET  60  -3.079   6.804   2.683
  472   2HB   MET  60          2HB       MET  60  -2.331   5.334   3.307
  473   1HG   MET  60          1HG       MET  60  -2.948   4.070   1.417
  474   2HG   MET  60          2HG       MET  60  -4.181   5.233   0.931
  475   1HE   MET  60          1HE       MET  60  -2.539   6.701  -1.903
  476   2HE   MET  60          2HE       MET  60  -3.767   7.183  -0.731
  477   3HE   MET  60          3HE       MET  60  -3.701   5.516  -1.304
  478    H    ALA  61           H        ALA  61  -5.558   3.737   1.865
  479    HA   ALA  61           HA       ALA  61  -5.558   1.443   3.709
  480   1HB   ALA  61          1HB       ALA  61  -7.445   1.347   2.407
  481   2HB   ALA  61          2HB       ALA  61  -6.386   0.544   1.248
  482   3HB   ALA  61          3HB       ALA  61  -6.701   2.273   1.103
  483    H    LEU  62           H        LEU  62  -3.287   0.999   3.962
  484    HA   LEU  62           HA       LEU  62  -1.278  -0.109   3.424
  485   1HB   LEU  62          1HB       LEU  62  -0.926   0.557   0.730
  486   2HB   LEU  62          2HB       LEU  62  -1.944   1.853   1.358
  487    HG   LEU  62           HG       LEU  62  -0.324   2.109   3.265
  488   1HD1  LEU  62          1HD1      LEU  62   0.973   0.250   3.545
  489   2HD1  LEU  62          2HD1      LEU  62   2.019   1.046   2.368
  490   3HD1  LEU  62          3HD1      LEU  62   0.879  -0.192   1.840
  491   1HD2  LEU  62          1HD2      LEU  62  -0.254   3.460   1.111
  492   2HD2  LEU  62          2HD2      LEU  62   1.025   2.374   0.568
  493   3HD2  LEU  62          3HD2      LEU  62   1.268   3.378   1.997
  494    H    GLY  63           H        GLY  63  -2.726  -2.134   3.540
  495   1HA   GLY  63          1HA       GLY  63  -2.088  -3.873   1.360
  496   2HA   GLY  63          2HA       GLY  63  -3.190  -4.266   2.678
  497    H    PHE  64           H        PHE  64  -4.948  -5.080   1.584
  498    HA   PHE  64           HA       PHE  64  -5.939  -3.815  -0.877
  499   1HB   PHE  64          1HB       PHE  64  -6.966  -6.061   0.900
  500   2HB   PHE  64          2HB       PHE  64  -7.585  -5.682  -0.707
  501    HD1  PHE  64           HD1      PHE  64  -5.638  -5.425  -2.558
  502    HD2  PHE  64           HD2      PHE  64  -5.368  -7.745   1.047
  503    HE1  PHE  64           HE1      PHE  64  -3.839  -6.796  -3.576
  504    HE2  PHE  64           HE2      PHE  64  -3.569  -9.116   0.029
  505    HZ   PHE  64           HZ       PHE  64  -2.805  -8.642  -2.282
  506    H    GLY  65           H        GLY  65  -6.048  -1.866   1.056
  507   1HA   GLY  65          1HA       GLY  65  -8.747  -1.891   2.259
  508   2HA   GLY  65          2HA       GLY  65  -7.514  -0.659   2.519
  509    H    ALA  66           H        ALA  66  -7.021  -0.472  -0.437
  510    HA   ALA  66           HA       ALA  66  -9.172   1.469  -1.006
  511   1HB   ALA  66          1HB       ALA  66  -6.676   0.641  -2.531
  512   2HB   ALA  66          2HB       ALA  66  -6.748   1.940  -1.340
  513   3HB   ALA  66          3HB       ALA  66  -7.649   2.077  -2.850
  514    H    ILE  67           H        ILE  67  -7.750  -1.418  -2.583
  515    HA   ILE  67           HA       ILE  67  -9.337  -1.628  -4.855
  516    HB   ILE  67           HB       ILE  67  -9.006  -4.119  -4.524
  517   1HG1  ILE  67          1HG1      ILE  67  -7.435  -4.590  -2.498
  518   2HG1  ILE  67          2HG1      ILE  67  -8.134  -3.127  -1.813
  519   1HG2  ILE  67          1HG2      ILE  67  -6.733  -2.172  -4.125
  520   2HG2  ILE  67          2HG2      ILE  67  -7.252  -2.952  -5.620
  521   3HG2  ILE  67          3HG2      ILE  67  -6.458  -3.898  -4.360
  522   1HD1  ILE  67          1HD1      ILE  67 -10.194  -4.839  -2.933
  523   2HD1  ILE  67          2HD1      ILE  67 -10.048  -4.196  -1.297
  524   3HD1  ILE  67          3HD1      ILE  67  -9.235  -5.699  -1.729
  525    H    PHE  68           H        PHE  68 -10.348  -2.094  -1.532
  526    HA   PHE  68           HA       PHE  68 -12.635  -3.675  -1.733
  527   1HB   PHE  68          1HB       PHE  68 -11.774  -1.280  -0.146
  528   2HB   PHE  68          2HB       PHE  68 -13.444  -1.816   0.024
  529    HD1  PHE  68           HD1      PHE  68 -10.630  -1.975   1.775
  530    HD2  PHE  68           HD2      PHE  68 -13.259  -4.722  -0.221
  531    HE1  PHE  68           HE1      PHE  68  -9.884  -3.790   3.291
  532    HE2  PHE  68           HE2      PHE  68 -12.514  -6.537   1.295
  533    HZ   PHE  68           HZ       PHE  68 -10.826  -6.071   3.051
  534    H    ASN  69           H        ASN  69 -14.362  -3.509  -3.110
  535    HA   ASN  69           HA       ASN  69 -14.994  -0.882  -4.343
  536   1HB   ASN  69          1HB       ASN  69 -15.883  -3.748  -4.827
  537   2HB   ASN  69          2HB       ASN  69 -16.441  -2.376  -5.785
  538   1HD2  ASN  69          1HD2      ASN  69 -15.073  -4.263  -7.228
  539   2HD2  ASN  69          2HD2      ASN  69 -13.497  -3.738  -7.583
  540    H    HIS  70           H        HIS  70 -17.506  -0.589  -4.675
  541    HA   HIS  70           HA       HIS  70 -18.724  -0.702  -1.968
  542   1HB   HIS  70          1HB       HIS  70 -18.518   1.393  -3.383
  543   2HB   HIS  70          2HB       HIS  70 -19.656   0.664  -4.516
  544    HD1  HIS  70           HD1      HIS  70 -21.485   2.446  -3.986
  545    HD2  HIS  70           HD2      HIS  70 -20.303   0.205  -0.676
  546    HE1  HIS  70           HE1      HIS  70 -23.190   2.898  -2.170
  547    H    SER  71           H        SER  71 -20.568  -1.893  -1.532
  548    HA   SER  71           HA       SER  71 -22.028  -3.173  -3.795
  549   1HB   SER  71          1HB       SER  71 -20.346  -4.785  -3.156
  550   2HB   SER  71          2HB       SER  71 -20.662  -4.519  -1.442
  551    HG   SER  71           HG       SER  71 -21.936  -6.134  -3.214
  552    H    LYS  72           H        LYS  72 -24.147  -4.053  -3.056
  553    HA   LYS  72           HA       LYS  72 -25.363  -2.308  -1.029
  554   1HB   LYS  72          1HB       LYS  72 -26.441  -2.834  -3.190
  555   2HB   LYS  72          2HB       LYS  72 -26.433  -4.550  -2.786
  556   1HG   LYS  72          1HG       LYS  72 -28.641  -3.559  -2.321
  557   2HG   LYS  72          2HG       LYS  72 -27.870  -4.088  -0.826
  558   1HD   LYS  72          1HD       LYS  72 -27.121  -1.792  -0.378
  559   2HD   LYS  72          2HD       LYS  72 -27.835  -1.249  -1.896
  560   1HE   LYS  72          1HE       LYS  72 -29.555  -0.733  -0.392
  561   2HE   LYS  72          2HE       LYS  72 -30.025  -2.377  -0.866
  562   1HZ   LYS  72          1HZ       LYS  72 -28.309  -1.653   1.458
  563   2HZ   LYS  72          2HZ       LYS  72 -28.724  -3.233   0.996
  564   3HZ   LYS  72          3HZ       LYS  72 -29.925  -2.167   1.550
  565    H    ASP  73           H        ASP  73 -24.522  -5.740  -1.369
  566    HA   ASP  73           HA       ASP  73 -25.314  -6.126   1.500
  567   1HB   ASP  73          1HB       ASP  73 -26.167  -7.398  -0.939
  568   2HB   ASP  73          2HB       ASP  73 -25.333  -8.589   0.057
  569    HA   PRO  74           HA       PRO  74 -20.829  -7.249   0.618
  570   1HB   PRO  74          1HB       PRO  74 -19.701  -5.412   2.346
  571   2HB   PRO  74          2HB       PRO  74 -19.954  -5.100   0.620
  572   1HG   PRO  74          1HG       PRO  74 -21.542  -4.204   2.967
  573   2HG   PRO  74          2HG       PRO  74 -21.184  -3.357   1.456
  574   1HD   PRO  74          1HD       PRO  74 -23.581  -4.559   2.007
  575   2HD   PRO  74          2HD       PRO  74 -22.955  -4.304   0.365
  576    H    ASN  75           H        ASN  75 -20.597  -9.084   1.773
  577    HA   ASN  75           HA       ASN  75 -21.454  -9.220   4.589
  578   1HB   ASN  75          1HB       ASN  75 -20.226 -11.263   2.707
  579   2HB   ASN  75          2HB       ASN  75 -21.027 -11.613   4.229
  580   1HD2  ASN  75          1HD2      ASN  75 -21.559 -10.819   0.861
  581   2HD2  ASN  75          2HD2      ASN  75 -23.253 -10.917   0.904
  582    H    ALA  76           H        ALA  76 -18.869  -7.787   3.508
  583    HA   ALA  76           HA       ALA  76 -16.983  -9.134   5.414
  584   1HB   ALA  76          1HB       ALA  76 -16.041  -7.407   3.154
  585   2HB   ALA  76          2HB       ALA  76 -16.688  -8.997   2.748
  586   3HB   ALA  76          3HB       ALA  76 -15.302  -8.859   3.831
  587    H    ARG  77           H        ARG  77 -15.510  -7.624   6.534
  588    HA   ARG  77           HA       ARG  77 -16.316  -4.755   6.487
  589   1HB   ARG  77          1HB       ARG  77 -17.490  -6.457   8.213
  590   2HB   ARG  77          2HB       ARG  77 -16.025  -6.119   9.135
  591   1HG   ARG  77          1HG       ARG  77 -17.677  -4.494   9.800
  592   2HG   ARG  77          2HG       ARG  77 -16.497  -3.654   8.795
  593   1HD   ARG  77          1HD       ARG  77 -18.054  -3.190   7.198
  594   2HD   ARG  77          2HD       ARG  77 -18.706  -4.839   7.248
  595    HE   ARG  77           HE       ARG  77 -20.317  -4.061   8.791
  596   1HH1  ARG  77          1HH1      ARG  77 -17.551  -1.948   8.747
  597   2HH1  ARG  77          2HH1      ARG  77 -18.256  -0.821   9.853
  598   1HH2  ARG  77          1HH2      ARG  77 -21.212  -2.584  10.225
  599   2HH2  ARG  77          2HH2      ARG  77 -20.313  -1.176  10.685
  600    H    HIS  78           H        HIS  78 -14.768  -3.461   7.930
  601    HA   HIS  78           HA       HIS  78 -12.062  -4.750   8.023
  602   1HB   HIS  78          1HB       HIS  78 -11.216  -2.514   7.259
  603   2HB   HIS  78          2HB       HIS  78 -12.285  -3.270   6.078
  604    HD1  HIS  78           HD1      HIS  78 -14.737  -2.308   5.904
  605    HD2  HIS  78           HD2      HIS  78 -12.193  -0.123   8.380
  606    HE1  HIS  78           HE1      HIS  78 -15.882  -0.088   6.328
  607    H    GLU  79           H        GLU  79 -11.079  -4.531   9.993
  608    HA   GLU  79           HA       GLU  79 -12.291  -2.632  11.961
  609   1HB   GLU  79          1HB       GLU  79 -12.331  -5.051  12.482
  610   2HB   GLU  79          2HB       GLU  79 -10.582  -5.130  12.272
  611   1HG   GLU  79          1HG       GLU  79 -11.062  -4.956  14.647
  612   2HG   GLU  79          2HG       GLU  79 -10.347  -3.437  14.110
  613    H    LEU  80           H        LEU  80 -10.846  -1.333  13.252
  614    HA   LEU  80           HA       LEU  80  -8.107  -1.015  12.065
  615   1HB   LEU  80          1HB       LEU  80 -10.269   0.853  12.975
  616   2HB   LEU  80          2HB       LEU  80  -8.596   1.381  13.159
  617    HG   LEU  80           HG       LEU  80  -9.497   0.205  10.545
  618   1HD1  LEU  80          1HD1      LEU  80 -11.085   1.840  10.438
  619   2HD1  LEU  80          2HD1      LEU  80  -9.708   2.891  10.108
  620   3HD1  LEU  80          3HD1      LEU  80 -10.354   2.771  11.745
  621   1HD2  LEU  80          1HD2      LEU  80  -7.760   1.823   9.726
  622   2HD2  LEU  80          2HD2      LEU  80  -7.122   0.622  10.849
  623   3HD2  LEU  80          3HD2      LEU  80  -7.443   2.265  11.404
  624    H    THR  81           H        THR  81  -6.422  -1.288  13.482
  625    HA   THR  81           HA       THR  81  -6.735  -2.234  16.137
  626    HB   THR  81           HB       THR  81  -4.279  -1.643  16.260
  627    HG1  THR  81           HG1      THR  81  -4.573  -0.728  13.614
  628   1HG2  THR  81          1HG2      THR  81  -5.490  -3.592  14.834
  629   2HG2  THR  81          2HG2      THR  81  -3.738  -3.407  14.899
  630   3HG2  THR  81          3HG2      THR  81  -4.642  -2.762  13.530
  631    H    ALA  82           H        ALA  82  -5.116  -0.713  17.787
  632    HA   ALA  82           HA       ALA  82  -6.925   1.411  18.618
  633   1HB   ALA  82          1HB       ALA  82  -5.503   1.467  20.521
  634   2HB   ALA  82          2HB       ALA  82  -4.103   0.928  19.595
  635   3HB   ALA  82          3HB       ALA  82  -5.398  -0.207  19.976
  636    H    GLY  83           H        GLY  83  -6.449   2.364  16.229
  637   1HA   GLY  83          1HA       GLY  83  -5.333   4.894  16.462
  638   2HA   GLY  83          2HA       GLY  83  -3.985   3.876  15.952
  639    H    LEU  84           H        LEU  84  -3.706   4.092  13.785
  640    HA   LEU  84           HA       LEU  84  -6.021   3.648  11.989
  641   1HB   LEU  84          1HB       LEU  84  -5.294   6.201  12.766
  642   2HB   LEU  84          2HB       LEU  84  -4.393   6.003  11.265
  643    HG   LEU  84           HG       LEU  84  -6.463   5.353  10.097
  644   1HD1  LEU  84          1HD1      LEU  84  -8.616   5.902  11.511
  645   2HD1  LEU  84          2HD1      LEU  84  -7.561   5.566  12.885
  646   3HD1  LEU  84          3HD1      LEU  84  -7.847   4.322  11.667
  647   1HD2  LEU  84          1HD2      LEU  84  -5.845   7.922  11.168
  648   2HD2  LEU  84          2HD2      LEU  84  -7.598   7.738  11.217
  649   3HD2  LEU  84          3HD2      LEU  84  -6.735   7.550   9.691
  650    H    LYS  85           H        LYS  85  -3.341   2.376  12.683
  651    HA   LYS  85           HA       LYS  85  -1.990   2.604  10.022
  652   1HB   LYS  85          1HB       LYS  85  -1.140   1.685  12.787
  653   2HB   LYS  85          2HB       LYS  85  -0.125   1.460  11.362
  654   1HG   LYS  85          1HG       LYS  85  -0.076   3.862  10.963
  655   2HG   LYS  85          2HG       LYS  85  -1.213   4.138  12.283
  656   1HD   LYS  85          1HD       LYS  85   0.404   3.302  13.905
  657   2HD   LYS  85          2HD       LYS  85   1.525   2.874  12.613
  658   1HE   LYS  85          1HE       LYS  85   0.655   5.676  12.468
  659   2HE   LYS  85          2HE       LYS  85   1.525   5.292  13.966
  660   1HZ   LYS  85          1HZ       LYS  85   2.400   4.688  11.186
  661   2HZ   LYS  85          2HZ       LYS  85   3.196   4.133  12.580
  662   3HZ   LYS  85          3HZ       LYS  85   3.119   5.797  12.252
  663    H    ARG  86           H        ARG  86  -2.226  -0.021  12.448
  664    HA   ARG  86           HA       ARG  86  -2.216  -2.089  10.428
  665   1HB   ARG  86          1HB       ARG  86  -2.779  -1.922  13.399
  666   2HB   ARG  86          2HB       ARG  86  -2.866  -3.455  12.531
  667   1HG   ARG  86          1HG       ARG  86  -0.474  -2.494  11.632
  668   2HG   ARG  86          2HG       ARG  86  -0.503  -1.835  13.269
  669   1HD   ARG  86          1HD       ARG  86  -1.265  -4.295  13.909
  670   2HD   ARG  86          2HD       ARG  86  -0.460  -4.703  12.382
  671    HE   ARG  86           HE       ARG  86   1.264  -2.931  13.730
  672   1HH1  ARG  86          1HH1      ARG  86  -0.139  -6.072  14.264
  673   2HH1  ARG  86          2HH1      ARG  86   1.190  -6.624  15.223
  674   1HH2  ARG  86          1HH2      ARG  86   2.977  -3.671  14.978
  675   2HH2  ARG  86          2HH2      ARG  86   2.942  -5.277  15.625
  676    H    MET  87           H        MET  87  -3.944  -2.732   9.213
  677    HA   MET  87           HA       MET  87  -6.698  -2.177  10.272
  678   1HB   MET  87          1HB       MET  87  -5.324  -1.836   7.652
  679   2HB   MET  87          2HB       MET  87  -6.993  -2.399   7.579
  680   1HG   MET  87          1HG       MET  87  -7.607  -0.486   9.118
  681   2HG   MET  87          2HG       MET  87  -5.964   0.121   8.910
  682   1HE   MET  87          1HE       MET  87  -8.098  -1.516   5.620
  683   2HE   MET  87          2HE       MET  87  -9.374  -0.378   6.051
  684   3HE   MET  87          3HE       MET  87  -8.750  -1.501   7.259
  685    H    ARG  88           H        ARG  88  -7.859  -4.011  10.682
  686    HA   ARG  88           HA       ARG  88  -6.960  -6.580   9.449
  687   1HB   ARG  88          1HB       ARG  88  -8.681  -5.857  11.848
  688   2HB   ARG  88          2HB       ARG  88  -8.379  -7.515  11.327
  689   1HG   ARG  88          1HG       ARG  88  -6.058  -7.354  11.794
  690   2HG   ARG  88          2HG       ARG  88  -6.116  -5.594  11.883
  691   1HD   ARG  88          1HD       ARG  88  -6.122  -6.111  14.158
  692   2HD   ARG  88          2HD       ARG  88  -7.868  -6.138  13.846
  693    HE   ARG  88           HE       ARG  88  -6.566  -8.687  13.265
  694   1HH1  ARG  88          1HH1      ARG  88  -7.996  -6.697  15.738
  695   2HH1  ARG  88          2HH1      ARG  88  -8.396  -8.044  16.745
  696   1HH2  ARG  88          1HH2      ARG  88  -7.097 -10.420  14.590
  697   2HH2  ARG  88          2HH2      ARG  88  -7.892 -10.137  16.102
  698    H    ILE  89           H        ILE  89  -8.776  -8.086   8.801
  699    HA   ILE  89           HA       ILE  89 -11.241  -6.622   7.939
  700    HB   ILE  89           HB       ILE  89  -9.454  -8.443   6.285
  701   1HG1  ILE  89          1HG1      ILE  89 -10.086  -5.500   5.922
  702   2HG1  ILE  89          2HG1      ILE  89  -8.628  -6.096   6.714
  703   1HG2  ILE  89          1HG2      ILE  89 -11.418  -6.960   4.789
  704   2HG2  ILE  89          2HG2      ILE  89 -12.224  -7.895   6.050
  705   3HG2  ILE  89          3HG2      ILE  89 -11.188  -8.706   4.875
  706   1HD1  ILE  89          1HD1      ILE  89  -9.157  -7.370   4.118
  707   2HD1  ILE  89          2HD1      ILE  89  -7.661  -6.682   4.751
  708   3HD1  ILE  89          3HD1      ILE  89  -8.869  -5.633   4.009
  709    H    PHE  90           H        PHE  90 -13.033  -7.764   8.554
  710    HA   PHE  90           HA       PHE  90 -12.729 -10.714   9.027
  711   1HB   PHE  90          1HB       PHE  90 -14.134  -8.478  10.497
  712   2HB   PHE  90          2HB       PHE  90 -14.636 -10.152  10.728
  713    HD1  PHE  90           HD1      PHE  90 -13.091 -11.809  11.711
  714    HD2  PHE  90           HD2      PHE  90 -12.003  -7.673  11.317
  715    HE1  PHE  90           HE1      PHE  90 -11.211 -12.154  13.290
  716    HE2  PHE  90           HE2      PHE  90 -10.122  -8.017  12.896
  717    HZ   PHE  90           HZ       PHE  90  -9.726 -10.258  13.883
  718    H    THR  91           H        THR  91 -14.928 -11.848   8.931
  719    HA   THR  91           HA       THR  91 -16.507 -10.766   6.627
  720    HB   THR  91           HB       THR  91 -17.141 -13.216   6.418
  721    HG1  THR  91           HG1      THR  91 -16.758 -13.837   8.538
  722   1HG2  THR  91          1HG2      THR  91 -14.519 -11.985   6.019
  723   2HG2  THR  91          2HG2      THR  91 -15.452 -13.014   4.931
  724   3HG2  THR  91          3HG2      THR  91 -14.423 -13.740   6.167
  725    H    ILE  92           H        ILE  92 -18.269  -9.682   7.493
  726    HA   ILE  92           HA       ILE  92 -19.446 -10.219  10.036
  727    HB   ILE  92           HB       ILE  92 -21.289  -8.792   9.088
  728   1HG1  ILE  92          1HG1      ILE  92 -19.822  -8.327   6.579
  729   2HG1  ILE  92          2HG1      ILE  92 -20.569  -9.921   6.686
  730   1HG2  ILE  92          1HG2      ILE  92 -19.510  -6.976   8.204
  731   2HG2  ILE  92          2HG2      ILE  92 -18.391  -8.121   8.945
  732   3HG2  ILE  92          3HG2      ILE  92 -19.669  -7.385   9.913
  733   1HD1  ILE  92          1HD1      ILE  92 -22.562  -8.985   6.210
  734   2HD1  ILE  92          2HD1      ILE  92 -21.828  -7.382   6.196
  735   3HD1  ILE  92          3HD1      ILE  92 -22.454  -8.051   7.703
  736    H    LYS  93           H        LYS  93 -19.908 -11.744   6.908
  737    HA   LYS  93           HA       LYS  93 -21.779 -13.669   8.176
  738   1HB   LYS  93          1HB       LYS  93 -22.431 -12.188   5.603
  739   2HB   LYS  93          2HB       LYS  93 -23.482 -13.306   6.470
  740   1HG   LYS  93          1HG       LYS  93 -23.366 -11.706   8.441
  741   2HG   LYS  93          2HG       LYS  93 -22.575 -10.561   7.355
  742   1HD   LYS  93          1HD       LYS  93 -24.623 -11.061   5.787
  743   2HD   LYS  93          2HD       LYS  93 -25.392 -11.612   7.276
  744   1HE   LYS  93          1HE       LYS  93 -24.314  -9.239   8.112
  745   2HE   LYS  93          2HE       LYS  93 -24.706  -8.861   6.424
  746   1HZ   LYS  93          1HZ       LYS  93 -26.922  -9.609   6.731
  747   2HZ   LYS  93          2HZ       LYS  93 -26.592  -8.584   8.045
  748   3HZ   LYS  93          3HZ       LYS  93 -26.573 -10.268   8.257
  749    HA   PRO  94           HA       PRO  94 -19.238 -16.654   6.073
  750   1HB   PRO  94          1HB       PRO  94 -21.843 -17.902   5.376
  751   2HB   PRO  94          2HB       PRO  94 -20.460 -18.589   6.238
  752   1HG   PRO  94          1HG       PRO  94 -22.828 -17.495   7.352
  753   2HG   PRO  94          2HG       PRO  94 -21.410 -18.116   8.194
  754   1HD   PRO  94          1HD       PRO  94 -22.216 -15.509   8.267
  755   2HD   PRO  94          2HD       PRO  94 -20.585 -16.066   8.582
  756    H    ILE  95           H        ILE  95 -18.624 -17.056   3.924
  757    HA   ILE  95           HA       ILE  95 -20.355 -15.830   1.802
  758    HB   ILE  95           HB       ILE  95 -17.345 -15.766   2.227
  759   1HG1  ILE  95          1HG1      ILE  95 -19.178 -13.391   1.992
  760   2HG1  ILE  95          2HG1      ILE  95 -19.035 -14.239   3.532
  761   1HG2  ILE  95          1HG2      ILE  95 -17.144 -15.381   0.017
  762   2HG2  ILE  95          2HG2      ILE  95 -18.194 -13.974   0.185
  763   3HG2  ILE  95          3HG2      ILE  95 -18.887 -15.552  -0.189
  764   1HD1  ILE  95          1HD1      ILE  95 -16.684 -13.815   3.652
  765   2HD1  ILE  95          2HD1      ILE  95 -17.430 -12.284   3.192
  766   3HD1  ILE  95          3HD1      ILE  95 -16.628 -13.276   1.973
  767    H    ALA  96           H        ALA  96 -20.316 -16.900  -0.228
  768    HA   ALA  96           HA       ALA  96 -19.546 -19.746  -0.122
  769   1HB   ALA  96          1HB       ALA  96 -20.775 -18.224  -2.431
  770   2HB   ALA  96          2HB       ALA  96 -21.731 -18.654  -1.013
  771   3HB   ALA  96          3HB       ALA  96 -20.998 -19.919  -1.999
  772    H    ILE  97           H        ILE  97 -18.259 -20.707  -1.859
  773    HA   ILE  97           HA       ILE  97 -15.783 -19.468  -2.333
  774    HB   ILE  97           HB       ILE  97 -17.312 -21.639  -3.813
  775   1HG1  ILE  97          1HG1      ILE  97 -15.167 -22.662  -2.290
  776   2HG1  ILE  97          2HG1      ILE  97 -15.964 -21.472  -1.261
  777   1HG2  ILE  97          1HG2      ILE  97 -14.497 -22.033  -3.969
  778   2HG2  ILE  97          2HG2      ILE  97 -14.823 -20.383  -4.499
  779   3HG2  ILE  97          3HG2      ILE  97 -15.622 -21.738  -5.295
  780   1HD1  ILE  97          1HD1      ILE  97 -16.888 -24.106  -2.078
  781   2HD1  ILE  97          2HD1      ILE  97 -18.062 -22.859  -2.497
  782   3HD1  ILE  97          3HD1      ILE  97 -17.526 -23.040  -0.827
  783    H    GLY  98           H        GLY  98 -18.773 -19.039  -4.075
  784   1HA   GLY  98          1HA       GLY  98 -17.271 -17.625  -6.238
  785   2HA   GLY  98          2HA       GLY  98 -18.887 -18.303  -6.438
  786    H    GLU  99           H        GLU  99 -17.268 -16.023  -4.165
  787    HA   GLU  99           HA       GLU  99 -19.610 -14.189  -4.621
  788   1HB   GLU  99          1HB       GLU  99 -18.186 -14.993  -2.069
  789   2HB   GLU  99          2HB       GLU  99 -19.380 -13.699  -2.151
  790   1HG   GLU  99          1HG       GLU  99 -20.590 -15.861  -3.455
  791   2HG   GLU  99          2HG       GLU  99 -19.788 -16.578  -2.058
  792    H    GLU 100           H        GLU 100 -19.026 -11.922  -3.654
  793    HA   GLU 100           HA       GLU 100 -16.180 -11.271  -4.354
  794   1HB   GLU 100          1HB       GLU 100 -18.164 -10.583  -5.906
  795   2HB   GLU 100          2HB       GLU 100 -18.546  -9.408  -4.648
  796   1HG   GLU 100          1HG       GLU 100 -15.878  -8.975  -4.904
  797   2HG   GLU 100          2HG       GLU 100 -16.266  -9.473  -6.550
  798    H    ILE 101           H        ILE 101 -15.095 -10.449  -2.614
  799    HA   ILE 101           HA       ILE 101 -16.593  -9.622  -0.213
  800    HB   ILE 101           HB       ILE 101 -13.650  -9.943  -0.900
  801   1HG1  ILE 101          1HG1      ILE 101 -15.258 -11.653   0.979
  802   2HG1  ILE 101          2HG1      ILE 101 -15.322 -11.948  -0.758
  803   1HG2  ILE 101          1HG2      ILE 101 -14.105  -8.281   0.943
  804   2HG2  ILE 101          2HG2      ILE 101 -13.188  -9.695   1.463
  805   3HG2  ILE 101          3HG2      ILE 101 -14.908  -9.575   1.833
  806   1HD1  ILE 101          1HD1      ILE 101 -12.867 -12.164  -0.818
  807   2HD1  ILE 101          2HD1      ILE 101 -13.566 -13.320   0.317
  808   3HD1  ILE 101          3HD1      ILE 101 -12.794 -11.852   0.917
  809    H    THR 102           H        THR 102 -16.754  -7.539   0.515
  810    HA   THR 102           HA       THR 102 -15.060  -5.379  -0.530
  811    HB   THR 102           HB       THR 102 -17.505  -4.295  -1.110
  812    HG1  THR 102           HG1      THR 102 -18.637  -5.920  -2.257
  813   1HG2  THR 102          1HG2      THR 102 -16.237  -4.003  -2.944
  814   2HG2  THR 102          2HG2      THR 102 -16.762  -5.599  -3.478
  815   3HG2  THR 102          3HG2      THR 102 -15.262  -5.422  -2.567
  816    H    ILE 103           H        ILE 103 -16.118  -3.187   0.382
  817    HA   ILE 103           HA       ILE 103 -17.474  -3.674   2.986
  818    HB   ILE 103           HB       ILE 103 -15.692  -2.405   4.142
  819   1HG1  ILE 103          1HG1      ILE 103 -13.580  -2.386   2.316
  820   2HG1  ILE 103          2HG1      ILE 103 -14.959  -1.802   1.385
  821   1HG2  ILE 103          1HG2      ILE 103 -14.446  -4.576   2.435
  822   2HG2  ILE 103          2HG2      ILE 103 -15.529  -4.913   3.786
  823   3HG2  ILE 103          3HG2      ILE 103 -13.987  -4.104   4.072
  824   1HD1  ILE 103          1HD1      ILE 103 -13.594  -0.577   3.730
  825   2HD1  ILE 103          2HD1      ILE 103 -15.348  -0.403   3.657
  826   3HD1  ILE 103          3HD1      ILE 103 -14.347   0.198   2.336
  827    H    SER 104           H        SER 104 -18.943  -2.053   3.394
  828    HA   SER 104           HA       SER 104 -19.546  -0.043   1.467
  829   1HB   SER 104          1HB       SER 104 -21.108  -0.986   3.143
  830   2HB   SER 104          2HB       SER 104 -20.176  -0.234   4.438
  831    HG   SER 104           HG       SER 104 -22.141   0.877   3.455
  832    H    TYR 105           H        TYR 105 -19.845   2.351   2.808
  833    HA   TYR 105           HA       TYR 105 -17.027   3.102   3.512
  834   1HB   TYR 105          1HB       TYR 105 -19.136   4.646   1.956
  835   2HB   TYR 105          2HB       TYR 105 -17.500   5.207   2.294
  836    HD1  TYR 105           HD1      TYR 105 -19.247   4.253  -0.348
  837    HD2  TYR 105           HD2      TYR 105 -15.879   2.803   1.887
  838    HE1  TYR 105           HE1      TYR 105 -18.431   3.053  -2.358
  839    HE2  TYR 105           HE2      TYR 105 -15.061   1.603  -0.124
  840    HH   TYR 105           HH       TYR 105 -16.128   0.659  -2.260
  841    H    GLY 106           H        GLY 106 -20.093   4.957   3.566
  842   1HA   GLY 106          1HA       GLY 106 -20.488   4.810   6.395
  843   2HA   GLY 106          2HA       GLY 106 -19.537   6.248   6.023
  844    H    ASP 107           H        ASP 107 -21.690   7.132   7.013
  845    HA   ASP 107           HA       ASP 107 -24.042   7.142   5.298
  846   1HB   ASP 107          1HB       ASP 107 -24.807   8.794   6.995
  847   2HB   ASP 107          2HB       ASP 107 -24.085   7.379   7.761
  848    H    ASP 108           H        ASP 108 -21.071   8.874   5.245
  849    HA   ASP 108           HA       ASP 108 -22.314  11.136   3.735
  850   1HB   ASP 108          1HB       ASP 108 -20.360  10.907   5.772
  851   2HB   ASP 108          2HB       ASP 108 -19.482  11.375   4.315
  852    H    TYR 109           H        TYR 109 -19.353   9.099   3.611
  853    HA   TYR 109           HA       TYR 109 -18.533   9.750   1.001
  854   1HB   TYR 109          1HB       TYR 109 -17.621   8.196   2.978
  855   2HB   TYR 109          2HB       TYR 109 -18.343   6.927   1.989
  856    HD1  TYR 109           HD1      TYR 109 -16.855   5.885   0.542
  857    HD2  TYR 109           HD2      TYR 109 -16.382  10.075   1.357
  858    HE1  TYR 109           HE1      TYR 109 -14.906   5.961  -0.988
  859    HE2  TYR 109           HE2      TYR 109 -14.432  10.152  -0.174
  860    HH   TYR 109           HH       TYR 109 -12.669   8.239  -1.000
  861    H    TRP 110           H        TRP 110 -20.252   9.870  -0.498
  862    HA   TRP 110           HA       TRP 110 -21.785   9.061  -2.090
  863   1HB   TRP 110          1HB       TRP 110 -19.851   6.840  -1.491
  864   2HB   TRP 110          2HB       TRP 110 -21.200   6.520  -2.582
  865    HD1  TRP 110           HD1      TRP 110 -18.595   9.363  -2.158
  866    HE1  TRP 110           HE1      TRP 110 -17.780  10.052  -4.505
  867    HE3  TRP 110           HE3      TRP 110 -21.397   6.202  -5.028
  868    HZ2  TRP 110           HZ2      TRP 110 -18.254   9.354  -7.238
  869    HZ3  TRP 110           HZ3      TRP 110 -21.196   6.235  -7.498
  870    HH2  TRP 110           HH2      TRP 110 -19.629   7.806  -8.606
  871    H    LEU 111           H        LEU 111 -21.580   5.921  -0.463
  872    HA   LEU 111           HA       LEU 111 -24.329   5.415  -0.379
  873   1HB   LEU 111          1HB       LEU 111 -22.451   3.831   0.077
  874   2HB   LEU 111          2HB       LEU 111 -22.206   4.608   1.641
  875    HG   LEU 111           HG       LEU 111 -24.935   3.589   0.907
  876   1HD1  LEU 111          1HD1      LEU 111 -22.510   1.979   1.350
  877   2HD1  LEU 111          2HD1      LEU 111 -24.065   1.504   0.668
  878   3HD1  LEU 111          3HD1      LEU 111 -23.850   1.560   2.418
  879   1HD2  LEU 111          1HD2      LEU 111 -23.669   4.774   3.168
  880   2HD2  LEU 111          2HD2      LEU 111 -24.086   3.116   3.603
  881   3HD2  LEU 111          3HD2      LEU 111 -25.336   4.219   3.027
  882    H    SER 112           H        SER 112 -25.925   5.638   1.269
  883    HA   SER 112           HA       SER 112 -25.391   7.070   3.751
  884   1HB   SER 112          1HB       SER 112 -26.772   9.065   3.039
  885   2HB   SER 112          2HB       SER 112 -25.252   8.917   2.157
  886    HG   SER 112           HG       SER 112 -27.647   9.049   1.144
  887    H    ARG 113           H        ARG 113 -28.089   6.750   1.407
  888    HA   ARG 113           HA       ARG 113 -29.654   5.380   3.553
  889   1HB   ARG 113          1HB       ARG 113 -30.337   7.575   1.593
  890   2HB   ARG 113          2HB       ARG 113 -31.607   6.578   2.304
  891   1HG   ARG 113          1HG       ARG 113 -31.489   7.714   4.245
  892   2HG   ARG 113          2HG       ARG 113 -29.750   7.452   4.346
  893   1HD   ARG 113          1HD       ARG 113 -29.775   9.342   2.418
  894   2HD   ARG 113          2HD       ARG 113 -31.250   9.802   3.291
  895    HE   ARG 113           HE       ARG 113 -28.527   9.979   4.326
  896   1HH1  ARG 113          1HH1      ARG 113 -31.873   9.478   5.148
  897   2HH1  ARG 113          2HH1      ARG 113 -31.671  10.032   6.774
  898   1HH2  ARG 113          1HH2      ARG 113 -28.290  10.693   6.441
  899   2HH2  ARG 113          2HH2      ARG 113 -29.658  10.715   7.503
  900    HA   PRO 114           HA       PRO 114 -30.085   2.061   0.688
  901   1HB   PRO 114          1HB       PRO 114 -32.888   1.823   1.673
  902   2HB   PRO 114          2HB       PRO 114 -31.591   0.615   1.675
  903   1HG   PRO 114          1HG       PRO 114 -32.397   1.855   3.913
  904   2HG   PRO 114          2HG       PRO 114 -30.716   1.367   3.653
  905   1HD   PRO 114          1HD       PRO 114 -31.941   4.073   3.540
  906   2HD   PRO 114          2HD       PRO 114 -30.305   3.587   4.031
  907    H    ARG 115           H        ARG 115 -30.120   3.385  -1.241
  908    HA   ARG 115           HA       ARG 115 -32.880   3.854  -2.315
  909   1HB   ARG 115          1HB       ARG 115 -30.456   5.629  -2.123
  910   2HB   ARG 115          2HB       ARG 115 -31.573   5.853  -3.470
  911   1HG   ARG 115          1HG       ARG 115 -33.420   6.240  -1.966
  912   2HG   ARG 115          2HG       ARG 115 -32.447   5.777  -0.570
  913   1HD   ARG 115          1HD       ARG 115 -31.433   7.827  -0.455
  914   2HD   ARG 115          2HD       ARG 115 -31.301   7.961  -2.218
  915    HE   ARG 115           HE       ARG 115 -34.066   8.071  -1.398
  916   1HH1  ARG 115          1HH1      ARG 115 -31.129   9.937  -1.505
  917   2HH1  ARG 115          2HH1      ARG 115 -31.964  11.451  -1.570
  918   1HH2  ARG 115          1HH2      ARG 115 -35.126  10.049  -1.482
  919   2HH2  ARG 115          2HH2      ARG 115 -34.209  11.516  -1.557
  920    H    LEU 116           H        LEU 116 -31.726   1.500  -2.969
  921    HA   LEU 116           HA       LEU 116 -30.309   1.925  -5.571
  922   1HB   LEU 116          1HB       LEU 116 -30.286  -0.058  -3.370
  923   2HB   LEU 116          2HB       LEU 116 -30.190  -0.758  -4.986
  924    HG   LEU 116           HG       LEU 116 -28.371   1.046  -5.421
  925   1HD1  LEU 116          1HD1      LEU 116 -27.310   2.020  -3.556
  926   2HD1  LEU 116          2HD1      LEU 116 -28.046   0.880  -2.429
  927   3HD1  LEU 116          3HD1      LEU 116 -29.023   2.155  -3.158
  928   1HD2  LEU 116          1HD2      LEU 116 -27.452  -1.060  -5.413
  929   2HD2  LEU 116          2HD2      LEU 116 -28.204  -1.494  -3.878
  930   3HD2  LEU 116          3HD2      LEU 116 -26.757  -0.486  -3.896
  931    H    THR 117           H        THR 117 -31.495   1.585  -7.404
  932    HA   THR 117           HA       THR 117 -33.957  -0.119  -7.194
  933    HB   THR 117           HB       THR 117 -33.355   2.359  -8.852
  934    HG1  THR 117           HG1      THR 117 -33.812   2.859  -6.732
  935   1HG2  THR 117          1HG2      THR 117 -34.826   1.173 -10.218
  936   2HG2  THR 117          2HG2      THR 117 -35.952   2.082  -9.211
  937   3HG2  THR 117          3HG2      THR 117 -35.619   0.387  -8.853
  938    H    GLN 118           H        GLN 118 -34.278  -1.616  -8.875
  939    HA   GLN 118           HA       GLN 118 -33.622  -3.077 -10.612
  940   1HB   GLN 118          1HB       GLN 118 -33.382  -0.304 -11.404
  941   2HB   GLN 118          2HB       GLN 118 -32.156  -1.264 -12.235
  942   1HG   GLN 118          1HG       GLN 118 -34.110  -1.347 -13.617
  943   2HG   GLN 118          2HG       GLN 118 -34.020  -2.910 -12.805
  944   1HE2  GLN 118          1HE2      GLN 118 -36.359  -0.993 -13.763
  945   2HE2  GLN 118          2HE2      GLN 118 -37.415  -1.017 -12.434
  946    H    ASN 119           H        ASN 119 -31.493  -3.613 -12.015
  947    HA   ASN 119           HA       ASN 119 -28.992  -3.067 -10.533
  948   1HB   ASN 119          1HB       ASN 119 -30.658  -5.267  -9.945
  949   2HB   ASN 119          2HB       ASN 119 -29.336  -5.933 -10.904
  950   1HD2  ASN 119          1HD2      ASN 119 -27.347  -6.230  -9.839
  951   2HD2  ASN 119          2HD2      ASN 119 -26.993  -5.633  -8.289
  952   1H    GLY 201          1H        GLY 201 -22.004  17.099 -19.661
  953   2H    GLY 201          2H        GLY 201 -22.116  18.778 -19.891
  954   3H    GLY 201          3H        GLY 201 -23.395  17.768 -20.370
  955   1HA   GLY 201          1HA       GLY 201 -23.462  17.081 -17.899
  956   2HA   GLY 201          2HA       GLY 201 -22.590  18.595 -17.662
  957    H    LYS 202           H        LYS 202 -24.865  18.804 -16.466
  958    HA   LYS 202           HA       LYS 202 -27.068  19.588 -18.264
  959   1HB   LYS 202          1HB       LYS 202 -26.934  18.440 -15.820
  960   2HB   LYS 202          2HB       LYS 202 -27.074  20.127 -15.325
  961   1HG   LYS 202          1HG       LYS 202 -28.967  19.911 -17.337
  962   2HG   LYS 202          2HG       LYS 202 -29.091  18.359 -16.509
  963   1HD   LYS 202          1HD       LYS 202 -28.861  20.709 -14.728
  964   2HD   LYS 202          2HD       LYS 202 -30.349  20.632 -15.671
  965   1HE   LYS 202          1HE       LYS 202 -30.982  18.559 -14.719
  966   2HE   LYS 202          2HE       LYS 202 -29.334  18.213 -14.163
  967   1HZ   LYS 202          1HZ       LYS 202 -30.603  19.022 -12.309
  968   2HZ   LYS 202          2HZ       LYS 202 -31.138  20.370 -13.192
  969   3HZ   LYS 202          3HZ       LYS 202 -29.502  20.235 -12.758
  970    H    ALA 203           H        ALA 203 -25.095  21.200 -15.735
  971    HA   ALA 203           HA       ALA 203 -25.604  23.794 -17.156
  972   1HB   ALA 203          1HB       ALA 203 -25.091  24.247 -14.403
  973   2HB   ALA 203          2HB       ALA 203 -26.201  22.878 -14.472
  974   3HB   ALA 203          3HB       ALA 203 -26.639  24.408 -15.234
  975    HA   PRO 204           HA       PRO 204 -21.260  24.412 -17.134
  976   1HB   PRO 204          1HB       PRO 204 -21.018  27.065 -16.397
  977   2HB   PRO 204          2HB       PRO 204 -21.523  26.535 -18.011
  978   1HG   PRO 204          1HG       PRO 204 -23.163  27.519 -15.735
  979   2HG   PRO 204          2HG       PRO 204 -23.368  27.786 -17.471
  980   1HD   PRO 204          1HD       PRO 204 -24.858  26.015 -16.027
  981   2HD   PRO 204          2HD       PRO 204 -24.520  25.828 -17.761
  982    H    ARG 205           H        ARG 205 -20.613  23.101 -15.344
  983    HA   ARG 205           HA       ARG 205 -20.700  24.246 -12.617
  984   1HB   ARG 205          1HB       ARG 205 -21.090  21.775 -13.536
  985   2HB   ARG 205          2HB       ARG 205 -19.336  21.679 -13.378
  986   1HG   ARG 205          1HG       ARG 205 -19.565  21.353 -11.164
  987   2HG   ARG 205          2HG       ARG 205 -20.345  22.928 -11.021
  988   1HD   ARG 205          1HD       ARG 205 -22.495  21.718 -11.829
  989   2HD   ARG 205          2HD       ARG 205 -21.635  20.223 -11.415
  990    HE   ARG 205           HE       ARG 205 -21.826  20.819  -9.131
  991   1HH1  ARG 205          1HH1      ARG 205 -22.378  23.577 -11.183
  992   2HH1  ARG 205          2HH1      ARG 205 -22.831  24.603  -9.867
  993   1HH2  ARG 205          1HH2      ARG 205 -22.418  22.170  -7.440
  994   2HH2  ARG 205          2HH2      ARG 205 -22.854  23.815  -7.763
  995    H    LYS 206           H        LYS 206 -19.063  25.637 -12.079
  996    HA   LYS 206           HA       LYS 206 -16.422  25.404 -13.410
  997   1HB   LYS 206          1HB       LYS 206 -16.073  27.596 -12.285
  998   2HB   LYS 206          2HB       LYS 206 -17.587  27.580 -13.189
  999   1HG   LYS 206          1HG       LYS 206 -18.129  26.569 -10.576
 1000   2HG   LYS 206          2HG       LYS 206 -17.198  28.055 -10.391
 1001   1HD   LYS 206          1HD       LYS 206 -19.603  27.841 -12.217
 1002   2HD   LYS 206          2HD       LYS 206 -19.721  28.362 -10.536
 1003   1HE   LYS 206          1HE       LYS 206 -18.686  30.386 -10.956
 1004   2HE   LYS 206          2HE       LYS 206 -17.667  29.713 -12.243
 1005   1HZ   LYS 206          1HZ       LYS 206 -19.363  31.034 -13.265
 1006   2HZ   LYS 206          2HZ       LYS 206 -20.586  30.276 -12.363
 1007   3HZ   LYS 206          3HZ       LYS 206 -19.745  29.405 -13.554
 1008    H    GLN 207           H        GLN 207 -16.977  23.233 -11.677
 1009    HA   GLN 207           HA       GLN 207 -16.067  22.075  -9.829
 1010   1HB   GLN 207          1HB       GLN 207 -14.062  22.759 -11.184
 1011   2HB   GLN 207          2HB       GLN 207 -13.940  24.217 -10.198
 1012   1HG   GLN 207          1HG       GLN 207 -13.041  23.089  -8.442
 1013   2HG   GLN 207          2HG       GLN 207 -14.154  21.735  -8.630
 1014   1HE2  GLN 207          1HE2      GLN 207 -11.373  23.186 -10.435
 1015   2HE2  GLN 207          2HE2      GLN 207 -10.684  21.693 -10.856
 1016    H    LEU 208           H        LEU 208 -17.753  22.833  -8.345
 1017    HA   LEU 208           HA       LEU 208 -16.818  25.007  -6.498
 1018   1HB   LEU 208          1HB       LEU 208 -19.245  24.558  -7.988
 1019   2HB   LEU 208          2HB       LEU 208 -19.618  24.514  -6.265
 1020    HG   LEU 208           HG       LEU 208 -19.768  26.818  -7.152
 1021   1HD1  LEU 208          1HD1      LEU 208 -18.490  25.985  -4.857
 1022   2HD1  LEU 208          2HD1      LEU 208 -18.920  27.656  -5.220
 1023   3HD1  LEU 208          3HD1      LEU 208 -17.297  27.066  -5.576
 1024   1HD2  LEU 208          1HD2      LEU 208 -18.213  27.680  -8.547
 1025   2HD2  LEU 208          2HD2      LEU 208 -17.545  26.051  -8.652
 1026   3HD2  LEU 208          3HD2      LEU 208 -16.892  27.198  -7.482
 1027    H    ALA 209           H        ALA 209 -16.142  22.143  -6.291
 1028    HA   ALA 209           HA       ALA 209 -17.583  21.508  -3.735
 1029   1HB   ALA 209          1HB       ALA 209 -16.427  19.593  -5.795
 1030   2HB   ALA 209          2HB       ALA 209 -18.124  20.069  -5.738
 1031   3HB   ALA 209          3HB       ALA 209 -17.417  19.163  -4.400
 1032    H    THR 210           H        THR 210 -16.085  22.001  -2.154
 1033    HA   THR 210           HA       THR 210 -13.254  21.109  -2.593
 1034    HB   THR 210           HB       THR 210 -13.625  23.546  -2.384
 1035    HG1  THR 210           HG1      THR 210 -11.841  23.532  -1.316
 1036   1HG2  THR 210          1HG2      THR 210 -15.377  24.170  -1.097
 1037   2HG2  THR 210          2HG2      THR 210 -14.314  23.918   0.288
 1038   3HG2  THR 210          3HG2      THR 210 -15.390  22.626  -0.244
 1039    H    LYS 211           H        LYS 211 -15.707  19.651  -1.402
 1040    HA   LYS 211           HA       LYS 211 -14.270  18.417   0.819
 1041   1HB   LYS 211          1HB       LYS 211 -15.970  19.107   2.519
 1042   2HB   LYS 211          2HB       LYS 211 -15.098  20.490   1.858
 1043   1HG   LYS 211          1HG       LYS 211 -17.112  20.438   0.099
 1044   2HG   LYS 211          2HG       LYS 211 -17.940  19.663   1.450
 1045   1HD   LYS 211          1HD       LYS 211 -17.501  21.542   2.893
 1046   2HD   LYS 211          2HD       LYS 211 -16.421  22.272   1.706
 1047   1HE   LYS 211          1HE       LYS 211 -18.750  21.948   0.250
 1048   2HE   LYS 211          2HE       LYS 211 -19.357  22.374   1.861
 1049   1HZ   LYS 211          1HZ       LYS 211 -18.863  24.420   0.852
 1050   2HZ   LYS 211          2HZ       LYS 211 -17.414  23.847   0.175
 1051   3HZ   LYS 211          3HZ       LYS 211 -17.522  24.117   1.849
 1052    H    ALA 212           H        ALA 212 -14.707  16.401  -0.127
 1053    HA   ALA 212           HA       ALA 212 -17.593  15.694  -0.529
 1054   1HB   ALA 212          1HB       ALA 212 -14.973  14.897  -1.786
 1055   2HB   ALA 212          2HB       ALA 212 -16.465  15.412  -2.573
 1056   3HB   ALA 212          3HB       ALA 212 -16.347  13.794  -1.880
 1057    H    ALA 213           H        ALA 213 -15.820  15.602   1.997
 1058    HA   ALA 213           HA       ALA 213 -15.496  14.127   3.813
 1059   1HB   ALA 213          1HB       ALA 213 -17.421  12.137   3.114
 1060   2HB   ALA 213          2HB       ALA 213 -18.029  13.681   2.517
 1061   3HB   ALA 213          3HB       ALA 213 -17.631  13.491   4.224
 1062    H    ARG 214           H        ARG 214 -15.185  11.625   4.275
 1063    HA   ARG 214           HA       ARG 214 -13.810  10.356   1.931
 1064   1HB   ARG 214          1HB       ARG 214 -12.902  10.882   4.767
 1065   2HB   ARG 214          2HB       ARG 214 -12.158   9.606   3.803
 1066   1HG   ARG 214          1HG       ARG 214 -11.159  11.094   2.358
 1067   2HG   ARG 214          2HG       ARG 214 -12.449  12.285   2.523
 1068   1HD   ARG 214          1HD       ARG 214 -11.472  12.329   5.054
 1069   2HD   ARG 214          2HD       ARG 214  -9.993  11.917   4.163
 1070    HE   ARG 214           HE       ARG 214 -11.546  14.044   2.894
 1071   1HH1  ARG 214          1HH1      ARG 214  -9.141  13.280   5.293
 1072   2HH1  ARG 214          2HH1      ARG 214  -8.434  14.857   5.244
 1073   1HH2  ARG 214          1HH2      ARG 214 -10.609  16.084   2.849
 1074   2HH2  ARG 214          2HH2      ARG 214  -9.257  16.434   3.873
 1075   1HN   MLZ 215          1HN       MLZ 215 -13.093   7.971   2.995
 1076    HA   MLZ 215           HA       MLZ 215 -15.555   6.509   3.185
 1077   1HB   MLZ 215          1HB       MLZ 215 -12.743   5.736   4.045
 1078   2HB   MLZ 215          2HB       MLZ 215 -14.037   4.624   3.601
 1079   1HG   MLZ 215          1HG       MLZ 215 -12.157   5.972   1.885
 1080   2HG   MLZ 215          2HG       MLZ 215 -13.794   6.478   1.468
 1081   1HD   MLZ 215          1HD       MLZ 215 -14.242   3.845   1.743
 1082   2HD   MLZ 215          2HD       MLZ 215 -13.704   4.547   0.217
 1083   1HE   MLZ 215          1HE       MLZ 215 -12.377   2.503   1.063
 1084   2HE   MLZ 215          2HE       MLZ 215 -11.720   3.596   2.296
 1085    HZ   MLZ 215           HZ       MLZ 215 -10.271   3.868   0.509
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -11.047   2.741  -1.282
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -11.399   4.386  -1.798
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -12.671   3.394  -1.095
 1089    H    SER 216           H        SER 216 -16.870   6.293   4.943
 1090    HA   SER 216           HA       SER 216 -17.582   6.207   7.192
 1091   1HB   SER 216          1HB       SER 216 -15.752   7.918   8.446
 1092   2HB   SER 216          2HB       SER 216 -15.756   8.452   6.765
 1093    HG   SER 216           HG       SER 216 -17.633   8.781   8.659
 1094    H    ALA 217           H        ALA 217 -16.661   5.821   9.528
 1095    HA   ALA 217           HA       ALA 217 -14.289   3.992   9.329
 1096   1HB   ALA 217          1HB       ALA 217 -14.088   6.215  10.589
 1097   2HB   ALA 217          2HB       ALA 217 -13.674   4.778  11.523
 1098   3HB   ALA 217          3HB       ALA 217 -15.240   5.556  11.750
 1099    HA   PRO 218           HA       PRO 218 -16.944   0.844  10.876
 1100   1HB   PRO 218          1HB       PRO 218 -15.137  -0.720  12.239
 1101   2HB   PRO 218          2HB       PRO 218 -15.247  -0.679  10.470
 1102   1HG   PRO 218          1HG       PRO 218 -13.315   0.670  12.286
 1103   2HG   PRO 218          2HG       PRO 218 -13.047  -0.063  10.699
 1104   1HD   PRO 218          1HD       PRO 218 -13.271   2.630  11.117
 1105   2HD   PRO 218          2HD       PRO 218 -13.675   1.832   9.583
 1106    H    ALA 219           H        ALA 219 -15.461   3.087  12.925
 1107    HA   ALA 219           HA       ALA 219 -15.862   3.707  15.165
 1108   1HB   ALA 219          1HB       ALA 219 -18.273   1.890  14.860
 1109   2HB   ALA 219          2HB       ALA 219 -18.189   3.484  14.111
 1110   3HB   ALA 219          3HB       ALA 219 -18.135   3.331  15.867
 1111    H    THR 220           H        THR 220 -16.205   2.694  17.426
 1112    HA   THR 220           HA       THR 220 -14.715   0.115  17.509
 1113    HB   THR 220           HB       THR 220 -14.650   0.928  20.018
 1114    HG1  THR 220           HG1      THR 220 -15.906   2.608  20.192
 1115   1HG2  THR 220          1HG2      THR 220 -13.275   2.440  17.774
 1116   2HG2  THR 220          2HG2      THR 220 -12.708   0.944  18.516
 1117   3HG2  THR 220          3HG2      THR 220 -12.753   2.433  19.459
 1118    H    GLY 221           H        GLY 221 -15.426  -1.009  19.826
 1119   1HA   GLY 221          1HA       GLY 221 -17.679  -1.291  21.093
 1120   2HA   GLY 221          2HA       GLY 221 -18.338  -1.566  19.480
 1121   1H    MET   1          1H        MET   1   0.894 -12.721   7.853
 1122   2H    MET   1          2H        MET   1   0.086 -12.221   6.444
 1123   3H    MET   1          3H        MET   1  -0.051 -11.310   7.871
 1124    HA   MET   1           HA       MET   1   1.496 -10.327   6.195
 1125   1HB   MET   1          1HB       MET   1   1.533 -10.595   8.972
 1126   2HB   MET   1          2HB       MET   1   3.196 -10.948   8.504
 1127   1HG   MET   1          1HG       MET   1   2.975  -8.552   8.871
 1128   2HG   MET   1          2HG       MET   1   3.200  -8.845   7.148
 1129   1HE   MET   1          1HE       MET   1   1.837  -6.979   5.734
 1130   2HE   MET   1          2HE       MET   1   2.580  -6.423   7.233
 1131   3HE   MET   1          3HE       MET   1   0.952  -5.895   6.807
 1132    H    PHE   2           H        PHE   2   1.506 -13.301   5.644
 1133    HA   PHE   2           HA       PHE   2   4.448 -13.564   5.120
 1134   1HB   PHE   2          1HB       PHE   2   4.067 -16.025   5.530
 1135   2HB   PHE   2          2HB       PHE   2   3.779 -15.029   6.956
 1136    HD1  PHE   2           HD1      PHE   2   1.492 -14.573   7.740
 1137    HD2  PHE   2           HD2      PHE   2   2.238 -17.123   4.365
 1138    HE1  PHE   2           HE1      PHE   2  -0.831 -15.431   7.875
 1139    HE2  PHE   2           HE2      PHE   2  -0.086 -17.981   4.500
 1140    HZ   PHE   2           HZ       PHE   2  -1.620 -17.135   6.255
 1141    H    ASN   3           H        ASN   3   4.935 -14.068   3.010
 1142    HA   ASN   3           HA       ASN   3   2.641 -14.665   1.177
 1143   1HB   ASN   3          1HB       ASN   3   5.017 -12.926   1.149
 1144   2HB   ASN   3          2HB       ASN   3   4.814 -13.844  -0.343
 1145   1HD2  ASN   3          1HD2      ASN   3   3.219 -11.475   1.794
 1146   2HD2  ASN   3          2HD2      ASN   3   2.085 -10.952   0.644
 1147    H    ASP   4           H        ASP   4   3.902 -16.790   2.648
 1148    HA   ASP   4           HA       ASP   4   4.892 -18.899   2.301
 1149   1HB   ASP   4          1HB       ASP   4   3.957 -18.047  -0.456
 1150   2HB   ASP   4          2HB       ASP   4   4.541 -19.674  -0.108
 1151    H    ARG   5           H        ARG   5   5.879 -17.807  -0.917
 1152    HA   ARG   5           HA       ARG   5   8.539 -18.673  -0.728
 1153   1HB   ARG   5          1HB       ARG   5   7.328 -16.347  -2.267
 1154   2HB   ARG   5          2HB       ARG   5   8.864 -17.122  -2.658
 1155   1HG   ARG   5          1HG       ARG   5   7.302 -19.311  -2.572
 1156   2HG   ARG   5          2HG       ARG   5   6.082 -18.124  -3.031
 1157   1HD   ARG   5          1HD       ARG   5   8.721 -18.165  -4.485
 1158   2HD   ARG   5          2HD       ARG   5   7.450 -19.321  -4.928
 1159    HE   ARG   5           HE       ARG   5   6.116 -16.893  -4.735
 1160   1HH1  ARG   5          1HH1      ARG   5   8.888 -18.054  -6.491
 1161   2HH1  ARG   5          2HH1      ARG   5   8.642 -16.970  -7.815
 1162   1HH2  ARG   5          1HH2      ARG   5   5.816 -15.495  -6.465
 1163   2HH2  ARG   5          2HH2      ARG   5   6.916 -15.530  -7.803
 1164    H    VAL   6           H        VAL   6   7.172 -15.501   0.141
 1165    HA   VAL   6           HA       VAL   6   9.730 -14.906   1.585
 1166    HB   VAL   6           HB       VAL   6   8.087 -13.104  -0.233
 1167   1HG1  VAL   6          1HG1      VAL   6   9.012 -11.934   1.777
 1168   2HG1  VAL   6          2HG1      VAL   6   9.727 -11.370   0.267
 1169   3HG1  VAL   6          3HG1      VAL   6  10.623 -12.476   1.308
 1170   1HG2  VAL   6          1HG2      VAL   6  10.189 -13.047  -1.562
 1171   2HG2  VAL   6          2HG2      VAL   6   9.526 -14.677  -1.444
 1172   3HG2  VAL   6          3HG2      VAL   6  10.904 -14.210  -0.447
 1173    H    ILE   7           H        ILE   7   9.414 -13.840   3.577
 1174    HA   ILE   7           HA       ILE   7   6.550 -13.365   4.341
 1175    HB   ILE   7           HB       ILE   7   7.688 -15.337   5.372
 1176   1HG1  ILE   7          1HG1      ILE   7   7.320 -13.147   7.427
 1177   2HG1  ILE   7          2HG1      ILE   7   5.964 -13.902   6.589
 1178   1HG2  ILE   7          1HG2      ILE   7   9.809 -15.204   6.118
 1179   2HG2  ILE   7          2HG2      ILE   7   9.401 -13.845   7.168
 1180   3HG2  ILE   7          3HG2      ILE   7   9.865 -13.556   5.491
 1181   1HD1  ILE   7          1HD1      ILE   7   6.151 -15.833   7.778
 1182   2HD1  ILE   7          2HD1      ILE   7   7.061 -14.845   8.920
 1183   3HD1  ILE   7          3HD1      ILE   7   7.913 -15.810   7.714
 1184    H    VAL   8           H        VAL   8   6.318 -11.704   6.120
 1185    HA   VAL   8           HA       VAL   8   8.181  -9.432   5.614
 1186    HB   VAL   8           HB       VAL   8   5.432  -9.636   6.900
 1187   1HG1  VAL   8          1HG1      VAL   8   5.418  -7.299   7.096
 1188   2HG1  VAL   8          2HG1      VAL   8   6.726  -7.097   5.932
 1189   3HG1  VAL   8          3HG1      VAL   8   7.074  -7.696   7.554
 1190   1HG2  VAL   8          1HG2      VAL   8   6.277  -8.552   4.197
 1191   2HG2  VAL   8          2HG2      VAL   8   4.629  -8.649   4.816
 1192   3HG2  VAL   8          3HG2      VAL   8   5.523 -10.125   4.453
 1193    H    LYS   9           H        LYS   9   9.604  -8.833   7.177
 1194    HA   LYS   9           HA       LYS   9   8.995  -9.448  10.020
 1195   1HB   LYS   9          1HB       LYS   9  11.498 -10.195   8.479
 1196   2HB   LYS   9          2HB       LYS   9  11.324 -10.355  10.226
 1197   1HG   LYS   9          1HG       LYS   9   9.087 -11.651   9.435
 1198   2HG   LYS   9          2HG       LYS   9  10.122 -11.979   8.047
 1199   1HD   LYS   9          1HD       LYS   9  11.912 -12.691   9.726
 1200   2HD   LYS   9          2HD       LYS   9  10.643 -12.649  10.949
 1201   1HE   LYS   9          1HE       LYS   9   9.306 -14.178   9.326
 1202   2HE   LYS   9          2HE       LYS   9  10.872 -14.463   8.543
 1203   1HZ   LYS   9          1HZ       LYS   9  10.261 -14.804  11.438
 1204   2HZ   LYS   9          2HZ       LYS   9  11.794 -15.005  10.736
 1205   3HZ   LYS   9          3HZ       LYS   9  10.527 -16.058  10.323
 1206    H    LYS  10           H        LYS  10  10.743  -6.385  10.775
 1207    HA   LYS  10           HA       LYS  10   9.741  -7.207  12.710
 1208   1HB   LYS  10          1HB       LYS  10   7.985  -7.347  10.511
 1209   2HB   LYS  10          2HB       LYS  10   7.760  -8.861  11.387
 1210   1HG   LYS  10          1HG       LYS  10   7.661  -6.086  12.611
 1211   2HG   LYS  10          2HG       LYS  10   6.260  -7.099  12.257
 1212   1HD   LYS  10          1HD       LYS  10   6.589  -8.387  14.096
 1213   2HD   LYS  10          2HD       LYS  10   8.331  -8.466  13.835
 1214   1HE   LYS  10          1HE       LYS  10   8.032  -7.242  15.885
 1215   2HE   LYS  10          2HE       LYS  10   8.392  -6.016  14.654
 1216   1HZ   LYS  10          1HZ       LYS  10   5.905  -5.956  14.270
 1217   2HZ   LYS  10          2HZ       LYS  10   6.444  -5.274  15.729
 1218   3HZ   LYS  10          3HZ       LYS  10   5.743  -6.821  15.723
 1219    H    SER  11           H        SER  11  11.977  -8.561  12.277
 1220    HA   SER  11           HA       SER  11  11.331 -11.475  12.340
 1221   1HB   SER  11          1HB       SER  11  13.116 -11.510  10.939
 1222   2HB   SER  11          2HB       SER  11  13.323  -9.775  11.147
 1223    HG   SER  11           HG       SER  11  14.981 -10.159  12.342
 1224    HA   PRO  12           HA       PRO  12  12.521 -12.164  16.507
 1225   1HB   PRO  12          1HB       PRO  12  15.098 -13.457  15.751
 1226   2HB   PRO  12          2HB       PRO  12  13.752 -14.109  16.701
 1227   1HG   PRO  12          1HG       PRO  12  14.241 -14.878  14.174
 1228   2HG   PRO  12          2HG       PRO  12  12.608 -14.799  14.846
 1229   1HD   PRO  12          1HD       PRO  12  13.944 -12.997  12.910
 1230   2HD   PRO  12          2HD       PRO  12  12.224 -13.400  13.083
 1231    H    LEU  13           H        LEU  13  14.849 -10.691  14.371
 1232    HA   LEU  13           HA       LEU  13  16.395  -9.576  16.661
 1233   1HB   LEU  13          1HB       LEU  13  16.778 -10.116  13.766
 1234   2HB   LEU  13          2HB       LEU  13  17.561  -8.655  14.366
 1235    HG   LEU  13           HG       LEU  13  19.058 -10.619  14.550
 1236   1HD1  LEU  13          1HD1      LEU  13  18.322  -8.805  16.628
 1237   2HD1  LEU  13          2HD1      LEU  13  19.886  -9.575  16.363
 1238   3HD1  LEU  13          3HD1      LEU  13  18.677 -10.362  17.376
 1239   1HD2  LEU  13          1HD2      LEU  13  18.432 -12.596  15.514
 1240   2HD2  LEU  13          2HD2      LEU  13  16.808 -12.035  15.115
 1241   3HD2  LEU  13          3HD2      LEU  13  17.446 -11.800  16.742
 1242    H    GLY  14           H        GLY  14  14.312  -8.587  13.958
 1243   1HA   GLY  14          1HA       GLY  14  12.851  -6.590  14.545
 1244   2HA   GLY  14          2HA       GLY  14  14.340  -5.810  15.077
 1245    H    GLY  15           H        GLY  15  12.926  -4.477  13.189
 1246   1HA   GLY  15          1HA       GLY  15  13.715  -3.316  11.221
 1247   2HA   GLY  15          2HA       GLY  15  14.681  -4.732  10.806
 1248    H    TYR  16           H        TYR  16  11.932  -3.054   9.973
 1249    HA   TYR  16           HA       TYR  16  10.263  -5.364   9.227
 1250   1HB   TYR  16          1HB       TYR  16   9.996  -2.566   9.707
 1251   2HB   TYR  16          2HB       TYR  16   9.477  -2.857   8.047
 1252    HD1  TYR  16           HD1      TYR  16   8.157  -5.312   7.916
 1253    HD2  TYR  16           HD2      TYR  16   8.246  -2.588  11.236
 1254    HE1  TYR  16           HE1      TYR  16   6.022  -6.260   8.751
 1255    HE2  TYR  16           HE2      TYR  16   6.111  -3.535  12.071
 1256    HH   TYR  16           HH       TYR  16   4.083  -5.389  10.237
 1257    H    GLY  17           H        GLY  17  12.374  -6.060   7.903
 1258   1HA   GLY  17          1HA       GLY  17  12.244  -4.846   5.172
 1259   2HA   GLY  17          2HA       GLY  17  13.609  -5.785   5.784
 1260    H    VAL  18           H        VAL  18  13.140  -7.050   3.691
 1261    HA   VAL  18           HA       VAL  18  10.773  -8.845   3.937
 1262    HB   VAL  18           HB       VAL  18  12.860  -8.439   1.763
 1263   1HG1  VAL  18          1HG1      VAL  18  11.606 -10.689   1.904
 1264   2HG1  VAL  18          2HG1      VAL  18  11.528  -9.822   0.370
 1265   3HG1  VAL  18          3HG1      VAL  18  10.163  -9.767   1.485
 1266   1HG2  VAL  18          1HG2      VAL  18  11.185  -7.120   0.633
 1267   2HG2  VAL  18          2HG2      VAL  18  11.355  -6.480   2.267
 1268   3HG2  VAL  18          3HG2      VAL  18   9.981  -7.508   1.861
 1269    H    PHE  19           H        PHE  19  11.045 -10.906   4.728
 1270    HA   PHE  19           HA       PHE  19  13.796 -11.854   5.291
 1271   1HB   PHE  19          1HB       PHE  19  11.194 -12.084   6.443
 1272   2HB   PHE  19          2HB       PHE  19  11.719 -13.708   5.998
 1273    HD1  PHE  19           HD1      PHE  19  12.713 -14.845   7.760
 1274    HD2  PHE  19           HD2      PHE  19  13.441 -10.636   7.309
 1275    HE1  PHE  19           HE1      PHE  19  14.240 -14.900   9.713
 1276    HE2  PHE  19           HE2      PHE  19  14.968 -10.691   9.262
 1277    HZ   PHE  19           HZ       PHE  19  15.367 -12.823  10.465
 1278    H    ALA  20           H        ALA  20  14.801 -13.255   3.939
 1279    HA   ALA  20           HA       ALA  20  13.329 -14.383   1.650
 1280   1HB   ALA  20          1HB       ALA  20  15.966 -13.503   2.314
 1281   2HB   ALA  20          2HB       ALA  20  15.373 -14.030   0.738
 1282   3HB   ALA  20          3HB       ALA  20  16.081 -15.201   1.851
 1283    H    ARG  21           H        ARG  21  12.041 -16.036   2.660
 1284    HA   ARG  21           HA       ARG  21  13.155 -18.100   4.368
 1285   1HB   ARG  21          1HB       ARG  21  10.673 -17.206   3.654
 1286   2HB   ARG  21          2HB       ARG  21  10.791 -18.658   2.661
 1287   1HG   ARG  21          1HG       ARG  21  10.962 -20.071   4.509
 1288   2HG   ARG  21          2HG       ARG  21  11.579 -18.793   5.555
 1289   1HD   ARG  21          1HD       ARG  21   9.466 -18.008   6.055
 1290   2HD   ARG  21          2HD       ARG  21   8.825 -18.421   4.453
 1291    HE   ARG  21           HE       ARG  21   9.446 -20.881   5.566
 1292   1HH1  ARG  21          1HH1      ARG  21   7.541 -18.147   6.573
 1293   2HH1  ARG  21          2HH1      ARG  21   6.446 -19.112   7.500
 1294   1HH2  ARG  21          1HH2      ARG  21   8.011 -22.112   6.775
 1295   2HH2  ARG  21          2HH2      ARG  21   6.708 -21.340   7.614
 1296    H    LYS  22           H        LYS  22  13.063 -17.515   0.943
 1297    HA   LYS  22           HA       LYS  22  13.979 -20.295   0.341
 1298   1HB   LYS  22          1HB       LYS  22  12.418 -18.152  -0.950
 1299   2HB   LYS  22          2HB       LYS  22  13.582 -18.908  -2.028
 1300   1HG   LYS  22          1HG       LYS  22  12.297 -20.751  -2.202
 1301   2HG   LYS  22          2HG       LYS  22  12.258 -20.927  -0.447
 1302   1HD   LYS  22          1HD       LYS  22  10.500 -19.078  -0.436
 1303   2HD   LYS  22          2HD       LYS  22  10.421 -19.270  -2.186
 1304   1HE   LYS  22          1HE       LYS  22   8.684 -20.612  -0.924
 1305   2HE   LYS  22          2HE       LYS  22   9.737 -21.604  -1.947
 1306   1HZ   LYS  22          1HZ       LYS  22  10.530 -21.000   0.830
 1307   2HZ   LYS  22          2HZ       LYS  22  10.952 -22.329  -0.140
 1308   3HZ   LYS  22          3HZ       LYS  22   9.400 -22.234   0.542
 1309    H    SER  23           H        SER  23  16.964 -18.954  -1.431
 1310    HA   SER  23           HA       SER  23  14.632 -20.826  -1.628
 1311   1HB   SER  23          1HB       SER  23  17.057 -21.569  -1.152
 1312   2HB   SER  23          2HB       SER  23  16.237 -22.378  -2.488
 1313    HG   SER  23           HG       SER  23  18.471 -21.415  -2.779
 1314    H    PHE  24           H        PHE  24  16.749 -18.630  -3.447
 1315    HA   PHE  24           HA       PHE  24  14.893 -18.925  -5.784
 1316   1HB   PHE  24          1HB       PHE  24  16.132 -16.453  -4.520
 1317   2HB   PHE  24          2HB       PHE  24  15.202 -16.434  -6.018
 1318    HD1  PHE  24           HD1      PHE  24  14.927 -15.735  -2.668
 1319    HD2  PHE  24           HD2      PHE  24  12.920 -17.997  -5.718
 1320    HE1  PHE  24           HE1      PHE  24  12.822 -15.629  -1.361
 1321    HE2  PHE  24           HE2      PHE  24  10.815 -17.891  -4.412
 1322    HZ   PHE  24           HZ       PHE  24  10.765 -16.707  -2.233
 1323    H    GLU  25           H        GLU  25  15.868 -18.283  -7.863
 1324    HA   GLU  25           HA       GLU  25  18.804 -18.848  -7.937
 1325   1HB   GLU  25          1HB       GLU  25  16.533 -19.815  -9.311
 1326   2HB   GLU  25          2HB       GLU  25  17.404 -18.828 -10.485
 1327   1HG   GLU  25          1HG       GLU  25  19.513 -20.082  -9.658
 1328   2HG   GLU  25          2HG       GLU  25  18.382 -21.237  -8.955
 1329    H    LYS  26           H        LYS  26  19.240 -17.782 -10.547
 1330    HA   LYS  26           HA       LYS  26  19.158 -14.865  -9.914
 1331   1HB   LYS  26          1HB       LYS  26  21.340 -16.011 -10.314
 1332   2HB   LYS  26          2HB       LYS  26  20.792 -16.475 -11.913
 1333   1HG   LYS  26          1HG       LYS  26  20.746 -14.217 -12.657
 1334   2HG   LYS  26          2HG       LYS  26  20.851 -13.594 -11.011
 1335   1HD   LYS  26          1HD       LYS  26  23.123 -14.782 -10.875
 1336   2HD   LYS  26          2HD       LYS  26  23.008 -14.965 -12.626
 1337   1HE   LYS  26          1HE       LYS  26  22.406 -12.234 -11.706
 1338   2HE   LYS  26          2HE       LYS  26  24.067 -12.754 -11.359
 1339   1HZ   LYS  26          1HZ       LYS  26  22.684 -13.061 -13.978
 1340   2HZ   LYS  26          2HZ       LYS  26  24.292 -13.489 -13.638
 1341   3HZ   LYS  26          3HZ       LYS  26  23.827 -11.856 -13.626
 1342    H    GLY  27           H        GLY  27  17.156 -14.193 -10.711
 1343   1HA   GLY  27          1HA       GLY  27  16.337 -13.141 -12.857
 1344   2HA   GLY  27          2HA       GLY  27  16.659 -14.699 -13.618
 1345    H    GLU  28           H        GLU  28  15.252 -14.311 -10.395
 1346    HA   GLU  28           HA       GLU  28  12.718 -15.510 -11.468
 1347   1HB   GLU  28          1HB       GLU  28  14.418 -15.929  -9.029
 1348   2HB   GLU  28          2HB       GLU  28  12.684 -16.222  -8.897
 1349   1HG   GLU  28          1HG       GLU  28  12.850 -17.714 -10.911
 1350   2HG   GLU  28          2HG       GLU  28  14.601 -17.515 -10.859
 1351    H    LEU  29           H        LEU  29  10.777 -14.537 -10.842
 1352    HA   LEU  29           HA       LEU  29  10.950 -11.832  -9.704
 1353   1HB   LEU  29          1HB       LEU  29   9.499 -12.399 -11.621
 1354   2HB   LEU  29          2HB       LEU  29   8.639 -13.579 -10.633
 1355    HG   LEU  29           HG       LEU  29   8.449 -11.348  -9.065
 1356   1HD1  LEU  29          1HD1      LEU  29   7.794  -9.490 -10.582
 1357   2HD1  LEU  29          2HD1      LEU  29   8.322 -10.453 -11.962
 1358   3HD1  LEU  29          3HD1      LEU  29   9.496  -9.916 -10.759
 1359   1HD2  LEU  29          1HD2      LEU  29   6.346 -12.122  -9.297
 1360   2HD2  LEU  29          2HD2      LEU  29   6.753 -12.901 -10.827
 1361   3HD2  LEU  29          3HD2      LEU  29   6.240 -11.213 -10.805
 1362    H    VAL  30           H        VAL  30  10.360 -11.275  -7.622
 1363    HA   VAL  30           HA       VAL  30   9.796 -13.481  -5.726
 1364    HB   VAL  30           HB       VAL  30  10.326 -10.507  -5.359
 1365   1HG1  VAL  30          1HG1      VAL  30  10.228 -10.845  -3.115
 1366   2HG1  VAL  30          2HG1      VAL  30  11.033 -12.410  -3.226
 1367   3HG1  VAL  30          3HG1      VAL  30   9.300 -12.287  -3.528
 1368   1HG2  VAL  30          1HG2      VAL  30  12.244 -12.827  -5.026
 1369   2HG2  VAL  30          2HG2      VAL  30  12.625 -11.106  -4.980
 1370   3HG2  VAL  30          3HG2      VAL  30  12.144 -11.862  -6.499
 1371    H    GLU  31           H        GLU  31   8.493 -10.169  -6.166
 1372    HA   GLU  31           HA       GLU  31   5.726 -11.169  -6.083
 1373   1HB   GLU  31          1HB       GLU  31   5.229  -9.931  -3.987
 1374   2HB   GLU  31          2HB       GLU  31   6.465 -11.159  -3.713
 1375   1HG   GLU  31          1HG       GLU  31   7.960  -8.965  -4.478
 1376   2HG   GLU  31          2HG       GLU  31   6.663  -8.232  -3.535
 1377    H    GLU  32           H        GLU  32   4.246  -9.550  -6.797
 1378    HA   GLU  32           HA       GLU  32   5.459  -6.913  -7.540
 1379   1HB   GLU  32          1HB       GLU  32   5.440  -8.254  -9.517
 1380   2HB   GLU  32          2HB       GLU  32   3.864  -8.942  -9.131
 1381   1HG   GLU  32          1HG       GLU  32   2.847  -6.685  -9.443
 1382   2HG   GLU  32          2HG       GLU  32   4.424  -6.071  -9.940
 1383    H    CYS  33           H        CYS  33   4.129  -5.162  -7.112
 1384    HA   CYS  33           HA       CYS  33   1.249  -5.662  -6.493
 1385   1HB   CYS  33          1HB       CYS  33   3.413  -4.431  -4.772
 1386   2HB   CYS  33          2HB       CYS  33   1.713  -4.041  -4.506
 1387    HG   CYS  33           HG       CYS  33   1.326  -6.693  -4.205
 1388    H    LEU  34           H        LEU  34   0.230  -3.314  -6.079
 1389    HA   LEU  34           HA       LEU  34   0.972  -1.699  -8.450
 1390   1HB   LEU  34          1HB       LEU  34  -1.337  -1.925  -6.529
 1391   2HB   LEU  34          2HB       LEU  34  -1.186  -0.484  -7.533
 1392    HG   LEU  34           HG       LEU  34  -1.072  -1.928  -9.552
 1393   1HD1  LEU  34          1HD1      LEU  34  -0.192  -3.978  -8.796
 1394   2HD1  LEU  34          2HD1      LEU  34  -1.888  -4.357  -9.099
 1395   3HD1  LEU  34          3HD1      LEU  34  -1.328  -4.074  -7.450
 1396   1HD2  LEU  34          1HD2      LEU  34  -3.245  -1.082  -9.014
 1397   2HD2  LEU  34          2HD2      LEU  34  -3.444  -2.239  -7.698
 1398   3HD2  LEU  34          3HD2      LEU  34  -3.469  -2.794  -9.372
 1399    H    CYS  35           H        CYS  35   0.904   0.753  -8.119
 1400    HA   CYS  35           HA       CYS  35   1.854   1.625  -5.434
 1401   1HB   CYS  35          1HB       CYS  35   3.319   1.960  -8.080
 1402   2HB   CYS  35          2HB       CYS  35   3.811   2.714  -6.566
 1403    HG   CYS  35           HG       CYS  35   4.601   0.495  -5.677
 1404    H    ILE  36           H        ILE  36   2.030   4.099  -5.420
 1405    HA   ILE  36           HA       ILE  36  -0.238   5.228  -6.988
 1406    HB   ILE  36           HB       ILE  36   1.377   6.259  -4.627
 1407   1HG1  ILE  36          1HG1      ILE  36  -1.486   5.347  -4.537
 1408   2HG1  ILE  36          2HG1      ILE  36  -0.190   4.152  -4.454
 1409   1HG2  ILE  36          1HG2      ILE  36   0.361   8.071  -5.962
 1410   2HG2  ILE  36          2HG2      ILE  36  -0.446   7.908  -4.402
 1411   3HG2  ILE  36          3HG2      ILE  36  -1.206   7.267  -5.859
 1412   1HD1  ILE  36          1HD1      ILE  36   0.030   6.559  -2.698
 1413   2HD1  ILE  36          2HD1      ILE  36   0.548   4.901  -2.397
 1414   3HD1  ILE  36          3HD1      ILE  36  -1.156   5.333  -2.254
 1415    H    VAL  37           H        VAL  37   0.120   7.467  -7.903
 1416    HA   VAL  37           HA       VAL  37   2.968   8.046  -8.581
 1417    HB   VAL  37           HB       VAL  37   0.675   7.699 -10.550
 1418   1HG1  VAL  37          1HG1      VAL  37   1.996   9.112 -11.759
 1419   2HG1  VAL  37          2HG1      VAL  37   2.989   7.674 -11.998
 1420   3HG1  VAL  37          3HG1      VAL  37   3.402   8.830 -10.732
 1421   1HG2  VAL  37          1HG2      VAL  37   1.245   5.509 -10.009
 1422   2HG2  VAL  37          2HG2      VAL  37   2.915   5.929  -9.631
 1423   3HG2  VAL  37          3HG2      VAL  37   2.389   5.834 -11.311
 1424    H    ARG  38           H        ARG  38   3.213  10.157  -7.984
 1425    HA   ARG  38           HA       ARG  38   1.198  12.144  -8.912
 1426   1HB   ARG  38          1HB       ARG  38   2.181  11.685  -6.080
 1427   2HB   ARG  38          2HB       ARG  38   1.352  13.159  -6.574
 1428   1HG   ARG  38          1HG       ARG  38   0.228  10.354  -6.845
 1429   2HG   ARG  38          2HG       ARG  38  -0.207  11.498  -5.576
 1430   1HD   ARG  38          1HD       ARG  38  -0.839  13.115  -7.492
 1431   2HD   ARG  38          2HD       ARG  38  -0.779  11.685  -8.541
 1432    HE   ARG  38           HE       ARG  38  -2.793  12.220  -6.496
 1433   1HH1  ARG  38          1HH1      ARG  38  -1.031   9.749  -8.201
 1434   2HH1  ARG  38          2HH1      ARG  38  -2.252   8.551  -7.949
 1435   1HH2  ARG  38          1HH2      ARG  38  -4.363  10.648  -6.183
 1436   2HH2  ARG  38          2HH2      ARG  38  -4.125   9.053  -6.816
 1437    H    HIS  39           H        HIS  39   2.163  14.120  -9.463
 1438    HA   HIS  39           HA       HIS  39   4.914  14.260 -10.073
 1439   1HB   HIS  39          1HB       HIS  39   2.640  16.185  -9.706
 1440   2HB   HIS  39          2HB       HIS  39   4.260  16.841  -9.946
 1441    HD1  HIS  39           HD1      HIS  39   4.010  17.627 -12.357
 1442    HD2  HIS  39           HD2      HIS  39   2.937  13.630 -11.854
 1443    HE1  HIS  39           HE1      HIS  39   3.692  16.672 -14.681
 1444    H    ASN  40           H        ASN  40   5.992  16.563  -9.056
 1445    HA   ASN  40           HA       ASN  40   6.551  15.787  -6.238
 1446   1HB   ASN  40          1HB       ASN  40   8.373  16.015  -7.915
 1447   2HB   ASN  40          2HB       ASN  40   7.916  17.699  -8.171
 1448   1HD2  ASN  40          1HD2      ASN  40  10.248  18.087  -7.389
 1449   2HD2  ASN  40          2HD2      ASN  40  10.513  18.177  -5.714
 1450    H    ASP  41           H        ASP  41   5.504  16.906  -4.666
 1451    HA   ASP  41           HA       ASP  41   5.451  19.778  -4.513
 1452   1HB   ASP  41          1HB       ASP  41   3.689  18.865  -6.351
 1453   2HB   ASP  41          2HB       ASP  41   2.686  18.707  -4.910
 1454    H    ASP  42           H        ASP  42   2.691  19.594  -3.131
 1455    HA   ASP  42           HA       ASP  42   3.480  19.133  -0.466
 1456   1HB   ASP  42          1HB       ASP  42   0.787  18.648  -1.802
 1457   2HB   ASP  42          2HB       ASP  42   1.037  18.940  -0.081
 1458    H    TRP  43           H        TRP  43   2.324  16.872  -2.922
 1459    HA   TRP  43           HA       TRP  43   2.071  14.532  -1.270
 1460   1HB   TRP  43          1HB       TRP  43   1.103  14.506  -3.444
 1461   2HB   TRP  43          2HB       TRP  43   2.547  15.186  -4.186
 1462    HD1  TRP  43           HD1      TRP  43   4.409  13.568  -4.979
 1463    HE1  TRP  43           HE1      TRP  43   4.612  11.002  -5.110
 1464    HE3  TRP  43           HE3      TRP  43   0.363  12.217  -2.169
 1465    HZ2  TRP  43           HZ2      TRP  43   3.241   8.686  -4.154
 1466    HZ3  TRP  43           HZ3      TRP  43  -0.160   9.824  -1.796
 1467    HH2  TRP  43           HH2      TRP  43   1.271   8.058  -2.782
 1468    H    GLY  44           H        GLY  44   4.767  16.098  -2.937
 1469   1HA   GLY  44          1HA       GLY  44   6.701  14.042  -2.705
 1470   2HA   GLY  44          2HA       GLY  44   7.077  15.763  -2.780
 1471    H    THR  45           H        THR  45   6.519  16.939  -0.591
 1472    HA   THR  45           HA       THR  45   8.182  15.791   1.447
 1473    HB   THR  45           HB       THR  45   6.081  17.960   1.661
 1474    HG1  THR  45           HG1      THR  45   7.986  19.283   1.169
 1475   1HG2  THR  45          1HG2      THR  45   6.877  17.525   3.831
 1476   2HG2  THR  45          2HG2      THR  45   7.915  18.840   3.280
 1477   3HG2  THR  45          3HG2      THR  45   8.510  17.180   3.261
 1478    H    ALA  46           H        ALA  46   4.648  15.879   1.037
 1479    HA   ALA  46           HA       ALA  46   3.942  14.915   3.650
 1480   1HB   ALA  46          1HB       ALA  46   1.833  14.328   2.505
 1481   2HB   ALA  46          2HB       ALA  46   2.632  14.467   0.939
 1482   3HB   ALA  46          3HB       ALA  46   2.402  15.900   1.942
 1483    H    LEU  47           H        LEU  47   4.084  13.122   0.560
 1484    HA   LEU  47           HA       LEU  47   4.582  10.600   2.050
 1485   1HB   LEU  47          1HB       LEU  47   3.839  11.397  -0.775
 1486   2HB   LEU  47          2HB       LEU  47   4.367   9.756  -0.413
 1487    HG   LEU  47           HG       LEU  47   1.928   9.867  -0.315
 1488   1HD1  LEU  47          1HD1      LEU  47   3.599   8.909   1.708
 1489   2HD1  LEU  47          2HD1      LEU  47   1.911   8.467   1.452
 1490   3HD1  LEU  47          3HD1      LEU  47   2.322   9.769   2.568
 1491   1HD2  LEU  47          1HD2      LEU  47   2.209  12.425   0.474
 1492   2HD2  LEU  47          2HD2      LEU  47   1.953  11.674   2.049
 1493   3HD2  LEU  47          3HD2      LEU  47   0.740  11.497   0.781
 1494    H    GLU  48           H        GLU  48   6.666  12.660   1.972
 1495    HA   GLU  48           HA       GLU  48   8.632  12.054  -0.041
 1496   1HB   GLU  48          1HB       GLU  48   8.144  13.927   1.938
 1497   2HB   GLU  48          2HB       GLU  48   9.592  13.119   2.513
 1498   1HG   GLU  48          1HG       GLU  48  10.244  13.409  -0.089
 1499   2HG   GLU  48          2HG       GLU  48   9.182  14.802   0.101
 1500    H    ASP  49           H        ASP  49   7.580  10.091   2.465
 1501    HA   ASP  49           HA       ASP  49  10.247   8.747   2.646
 1502   1HB   ASP  49          1HB       ASP  49   9.067   9.805   4.722
 1503   2HB   ASP  49          2HB       ASP  49   7.947   8.448   4.589
 1504    H    TYR  50           H        TYR  50  10.193   6.441   2.376
 1505    HA   TYR  50           HA       TYR  50   9.398   4.423   1.430
 1506   1HB   TYR  50          1HB       TYR  50   6.709   5.500   2.355
 1507   2HB   TYR  50          2HB       TYR  50   7.160   3.813   2.151
 1508    HD1  TYR  50           HD1      TYR  50   9.563   3.307   3.471
 1509    HD2  TYR  50           HD2      TYR  50   6.564   6.184   4.563
 1510    HE1  TYR  50           HE1      TYR  50  10.365   3.257   5.816
 1511    HE2  TYR  50           HE2      TYR  50   7.366   6.132   6.907
 1512    HH   TYR  50           HH       TYR  50   9.647   3.767   8.017
 1513    H    LEU  51           H        LEU  51   9.443   6.980  -0.155
 1514    HA   LEU  51           HA       LEU  51   7.417   6.215  -2.233
 1515   1HB   LEU  51          1HB       LEU  51   7.048   8.311  -0.767
 1516   2HB   LEU  51          2HB       LEU  51   8.415   9.013  -1.632
 1517    HG   LEU  51           HG       LEU  51   7.030   8.175  -3.752
 1518   1HD1  LEU  51          1HD1      LEU  51   4.684   9.042  -2.183
 1519   2HD1  LEU  51          2HD1      LEU  51   5.290   7.437  -1.774
 1520   3HD1  LEU  51          3HD1      LEU  51   4.808   7.805  -3.429
 1521   1HD2  LEU  51          1HD2      LEU  51   7.344  10.636  -2.326
 1522   2HD2  LEU  51          2HD2      LEU  51   5.690  10.562  -2.936
 1523   3HD2  LEU  51          3HD2      LEU  51   7.049  10.406  -4.050
 1524    H    PHE  52           H        PHE  52   8.206   6.088  -4.315
 1525    HA   PHE  52           HA       PHE  52  11.121   6.485  -4.724
 1526   1HB   PHE  52          1HB       PHE  52   8.841   5.171  -6.233
 1527   2HB   PHE  52          2HB       PHE  52  10.444   5.352  -6.947
 1528    HD1  PHE  52           HD1      PHE  52   8.383   3.415  -4.720
 1529    HD2  PHE  52           HD2      PHE  52  12.454   4.405  -5.666
 1530    HE1  PHE  52           HE1      PHE  52   9.157   1.404  -3.491
 1531    HE2  PHE  52           HE2      PHE  52  13.228   2.394  -4.438
 1532    HZ   PHE  52           HZ       PHE  52  11.580   0.894  -3.350
 1533    H    SER  53           H        SER  53  11.801   7.667  -6.733
 1534    HA   SER  53           HA       SER  53   9.793   9.679  -7.659
 1535   1HB   SER  53          1HB       SER  53  11.308  11.459  -7.142
 1536   2HB   SER  53          2HB       SER  53  11.322  10.411  -5.726
 1537    HG   SER  53           HG       SER  53  13.333  11.048  -7.404
 1538    H    ARG  54           H        ARG  54   9.711   9.344  -9.845
 1539    HA   ARG  54           HA       ARG  54  12.178   8.516 -11.296
 1540   1HB   ARG  54          1HB       ARG  54   9.792   7.438 -11.397
 1541   2HB   ARG  54          2HB       ARG  54   9.393   8.812 -12.427
 1542   1HG   ARG  54          1HG       ARG  54  10.486   7.908 -14.182
 1543   2HG   ARG  54          2HG       ARG  54  11.925   7.610 -13.208
 1544   1HD   ARG  54          1HD       ARG  54  10.467   5.639 -12.205
 1545   2HD   ARG  54          2HD       ARG  54   9.589   5.798 -13.738
 1546    HE   ARG  54           HE       ARG  54  12.472   5.828 -14.120
 1547   1HH1  ARG  54          1HH1      ARG  54   9.696   3.783 -13.639
 1548   2HH1  ARG  54          2HH1      ARG  54  10.424   2.424 -14.424
 1549   1HH2  ARG  54          1HH2      ARG  54  13.394   4.051 -15.134
 1550   2HH2  ARG  54          2HH2      ARG  54  12.501   2.572 -15.265
 1551    H    LYS  55           H        LYS  55  12.216   9.559 -13.636
 1552    HA   LYS  55           HA       LYS  55  12.467  12.442 -13.262
 1553   1HB   LYS  55          1HB       LYS  55  13.000  10.386 -15.392
 1554   2HB   LYS  55          2HB       LYS  55  13.028  12.094 -15.834
 1555   1HG   LYS  55          1HG       LYS  55  14.930  12.511 -14.625
 1556   2HG   LYS  55          2HG       LYS  55  14.497  11.363 -13.357
 1557   1HD   LYS  55          1HD       LYS  55  16.020   9.969 -14.279
 1558   2HD   LYS  55          2HD       LYS  55  14.876   9.760 -15.605
 1559   1HE   LYS  55          1HE       LYS  55  16.200  10.935 -17.033
 1560   2HE   LYS  55          2HE       LYS  55  16.426  12.239 -15.852
 1561   1HZ   LYS  55          1HZ       LYS  55  17.718   9.581 -15.577
 1562   2HZ   LYS  55          2HZ       LYS  55  18.089  11.013 -14.742
 1563   3HZ   LYS  55          3HZ       LYS  55  18.468  10.869 -16.391
 1564    H    ASN  56           H        ASN  56  10.236  13.030 -12.893
 1565    HA   ASN  56           HA       ASN  56   8.311  12.625 -15.112
 1566   1HB   ASN  56          1HB       ASN  56   9.628  14.618 -15.717
 1567   2HB   ASN  56          2HB       ASN  56   7.999  15.110 -15.252
 1568   1HD2  ASN  56          1HD2      ASN  56  11.392  15.249 -14.338
 1569   2HD2  ASN  56          2HD2      ASN  56  11.187  16.283 -13.008
 1570    H    MET  57           H        MET  57   8.661  11.977 -12.151
 1571    HA   MET  57           HA       MET  57   6.862  13.587 -10.596
 1572   1HB   MET  57          1HB       MET  57   4.870  12.113 -10.735
 1573   2HB   MET  57          2HB       MET  57   5.271  12.762 -12.320
 1574   1HG   MET  57          1HG       MET  57   6.522  10.168 -11.567
 1575   2HG   MET  57          2HG       MET  57   4.798  10.154 -11.917
 1576   1HE   MET  57          1HE       MET  57   3.735  11.085 -13.534
 1577   2HE   MET  57          2HE       MET  57   4.055   9.888 -14.790
 1578   3HE   MET  57          3HE       MET  57   4.257  11.606 -15.136
 1579    H    SER  58           H        SER  58   5.654  11.497  -9.079
 1580    HA   SER  58           HA       SER  58   7.946   9.793  -8.213
 1581   1HB   SER  58          1HB       SER  58   6.196  11.476  -6.384
 1582   2HB   SER  58          2HB       SER  58   7.614  10.539  -5.915
 1583    HG   SER  58           HG       SER  58   7.432  12.986  -7.201
 1584    H    ALA  59           H        ALA  59   7.108   8.104  -6.579
 1585    HA   ALA  59           HA       ALA  59   4.208   7.535  -6.831
 1586   1HB   ALA  59          1HB       ALA  59   4.960   6.431  -8.775
 1587   2HB   ALA  59          2HB       ALA  59   5.013   5.141  -7.574
 1588   3HB   ALA  59          3HB       ALA  59   6.495   5.978  -8.034
 1589    H    MET  60           H        MET  60   3.461   6.105  -5.179
 1590    HA   MET  60           HA       MET  60   5.339   5.802  -2.900
 1591   1HB   MET  60          1HB       MET  60   3.110   6.830  -2.601
 1592   2HB   MET  60          2HB       MET  60   2.347   5.365  -3.220
 1593   1HG   MET  60          1HG       MET  60   2.971   4.095  -1.337
 1594   2HG   MET  60          2HG       MET  60   4.215   5.251  -0.858
 1595   1HE   MET  60          1HE       MET  60   2.602   6.724   1.990
 1596   2HE   MET  60          2HE       MET  60   3.823   7.201   0.810
 1597   3HE   MET  60          3HE       MET  60   3.752   5.534   1.380
 1598    H    ALA  61           H        ALA  61   5.571   3.744  -1.808
 1599    HA   ALA  61           HA       ALA  61   5.552   1.452  -3.648
 1600   1HB   ALA  61          1HB       ALA  61   7.446   1.347  -2.361
 1601   2HB   ALA  61          2HB       ALA  61   6.390   0.549  -1.196
 1602   3HB   ALA  61          3HB       ALA  61   6.717   2.277  -1.051
 1603    H    LEU  62           H        LEU  62   3.274   1.026  -3.889
 1604    HA   LEU  62           HA       LEU  62   1.263  -0.072  -3.336
 1605   1HB   LEU  62          1HB       LEU  62   0.934   0.594  -0.639
 1606   2HB   LEU  62          2HB       LEU  62   1.955   1.885  -1.273
 1607    HG   LEU  62           HG       LEU  62   0.323   2.151  -3.168
 1608   1HD1  LEU  62          1HD1      LEU  62  -0.986   0.300  -3.439
 1609   2HD1  LEU  62          2HD1      LEU  62  -2.019   1.101  -2.255
 1610   3HD1  LEU  62          3HD1      LEU  62  -0.883  -0.144  -1.736
 1611   1HD2  LEU  62          1HD2      LEU  62   0.277   3.501  -1.011
 1612   2HD2  LEU  62          2HD2      LEU  62  -1.005   2.421  -0.460
 1613   3HD2  LEU  62          3HD2      LEU  62  -1.253   3.428  -1.886
 1614    H    GLY  63           H        GLY  63   2.698  -2.105  -3.464
 1615   1HA   GLY  63          1HA       GLY  63   2.067  -3.843  -1.281
 1616   2HA   GLY  63          2HA       GLY  63   3.157  -4.241  -2.608
 1617    H    PHE  64           H        PHE  64   4.918  -5.066  -1.528
 1618    HA   PHE  64           HA       PHE  64   5.935  -3.809   0.927
 1619   1HB   PHE  64          1HB       PHE  64   6.935  -6.059  -0.860
 1620   2HB   PHE  64          2HB       PHE  64   7.569  -5.685   0.742
 1621    HD1  PHE  64           HD1      PHE  64   5.636  -5.419   2.609
 1622    HD2  PHE  64           HD2      PHE  64   5.327  -7.734  -0.997
 1623    HE1  PHE  64           HE1      PHE  64   3.838  -6.781   3.638
 1624    HE2  PHE  64           HE2      PHE  64   3.527  -9.096   0.033
 1625    HZ   PHE  64           HZ       PHE  64   2.783  -8.619   2.350
 1626    H    GLY  65           H        GLY  65   6.041  -1.858  -1.004
 1627   1HA   GLY  65          1HA       GLY  65   8.731  -1.898  -2.227
 1628   2HA   GLY  65          2HA       GLY  65   7.502  -0.659  -2.477
 1629    H    ALA  66           H        ALA  66   7.032  -0.472   0.483
 1630    HA   ALA  66           HA       ALA  66   9.199   1.456   1.037
 1631   1HB   ALA  66          1HB       ALA  66   6.709   0.641   2.580
 1632   2HB   ALA  66          2HB       ALA  66   6.780   1.941   1.391
 1633   3HB   ALA  66          3HB       ALA  66   7.692   2.071   2.894
 1634    H    ILE  67           H        ILE  67   7.772  -1.424   2.622
 1635    HA   ILE  67           HA       ILE  67   9.374  -1.646   4.882
 1636    HB   ILE  67           HB       ILE  67   9.026  -4.134   4.551
 1637   1HG1  ILE  67          1HG1      ILE  67   7.438  -4.594   2.537
 1638   2HG1  ILE  67          2HG1      ILE  67   8.140  -3.134   1.848
 1639   1HG2  ILE  67          1HG2      ILE  67   6.761  -2.174   4.170
 1640   2HG2  ILE  67          2HG2      ILE  67   7.286  -2.959   5.660
 1641   3HG2  ILE  67          3HG2      ILE  67   6.479  -3.899   4.405
 1642   1HD1  ILE  67          1HD1      ILE  67  10.199  -4.859   2.952
 1643   2HD1  ILE  67          2HD1      ILE  67  10.044  -4.214   1.317
 1644   3HD1  ILE  67          3HD1      ILE  67   9.225  -5.713   1.754
 1645    H    PHE  68           H        PHE  68  10.358  -2.114   1.551
 1646    HA   PHE  68           HA       PHE  68  12.637  -3.708   1.733
 1647   1HB   PHE  68          1HB       PHE  68  11.778  -1.306   0.156
 1648   2HB   PHE  68          2HB       PHE  68  13.444  -1.851  -0.028
 1649    HD1  PHE  68           HD1      PHE  68  10.616  -1.992  -1.757
 1650    HD2  PHE  68           HD2      PHE  68  13.244  -4.757   0.216
 1651    HE1  PHE  68           HE1      PHE  68   9.849  -3.802  -3.270
 1652    HE2  PHE  68           HE2      PHE  68  12.478  -6.566  -1.296
 1653    HZ   PHE  68           HZ       PHE  68  10.780  -6.088  -3.039
 1654    H    ASN  69           H        ASN  69  14.375  -3.553   3.098
 1655    HA   ASN  69           HA       ASN  69  15.031  -0.931   4.329
 1656   1HB   ASN  69          1HB       ASN  69  15.906  -3.802   4.804
 1657   2HB   ASN  69          2HB       ASN  69  16.480  -2.435   5.759
 1658   1HD2  ASN  69          1HD2      ASN  69  15.113  -4.313   7.212
 1659   2HD2  ASN  69          2HD2      ASN  69  13.542  -3.784   7.578
 1660    H    HIS  70           H        HIS  70  17.547  -0.653   4.643
 1661    HA   HIS  70           HA       HIS  70  18.744  -0.771   1.927
 1662   1HB   HIS  70          1HB       HIS  70  18.561   1.325   3.346
 1663   2HB   HIS  70          2HB       HIS  70  19.703   0.588   4.470
 1664    HD1  HIS  70           HD1      HIS  70  21.539   2.360   3.929
 1665    HD2  HIS  70           HD2      HIS  70  20.319   0.129   0.625
 1666    HE1  HIS  70           HE1      HIS  70  23.233   2.805   2.100
 1667    H    SER  71           H        SER  71  20.579  -1.971   1.477
 1668    HA   SER  71           HA       SER  71  22.048  -3.262   3.727
 1669   1HB   SER  71          1HB       SER  71  20.353  -4.864   3.099
 1670   2HB   SER  71          2HB       SER  71  20.657  -4.598   1.382
 1671    HG   SER  71           HG       SER  71  21.935  -6.222   3.144
 1672    H    LYS  72           H        LYS  72  24.156  -4.154   2.972
 1673    HA   LYS  72           HA       LYS  72  25.367  -2.413   0.938
 1674   1HB   LYS  72          1HB       LYS  72  26.458  -2.947   3.090
 1675   2HB   LYS  72          2HB       LYS  72  26.437  -4.663   2.684
 1676   1HG   LYS  72          1HG       LYS  72  28.647  -3.683   2.204
 1677   2HG   LYS  72          2HG       LYS  72  27.863  -4.207   0.714
 1678   1HD   LYS  72          1HD       LYS  72  27.123  -1.906   0.274
 1679   2HD   LYS  72          2HD       LYS  72  27.851  -1.369   1.788
 1680   1HE   LYS  72          1HE       LYS  72  29.564  -0.862   0.271
 1681   2HE   LYS  72          2HE       LYS  72  30.027  -2.509   0.740
 1682   1HZ   LYS  72          1HZ       LYS  72  28.298  -1.772  -1.570
 1683   2HZ   LYS  72          2HZ       LYS  72  28.708  -3.355  -1.113
 1684   3HZ   LYS  72          3HZ       LYS  72  29.910  -2.295  -1.675
 1685    H    ASP  73           H        ASP  73  24.509  -5.840   1.280
 1686    HA   ASP  73           HA       ASP  73  25.282  -6.225  -1.594
 1687   1HB   ASP  73          1HB       ASP  73  26.142  -7.508   0.836
 1688   2HB   ASP  73          2HB       ASP  73  25.293  -8.692  -0.156
 1689    HA   PRO  74           HA       PRO  74  20.792  -7.316  -0.673
 1690   1HB   PRO  74          1HB       PRO  74  19.664  -5.480  -2.400
 1691   2HB   PRO  74          2HB       PRO  74  19.930  -5.170  -0.675
 1692   1HG   PRO  74          1HG       PRO  74  21.506  -4.282  -3.032
 1693   2HG   PRO  74          2HG       PRO  74  21.164  -3.434  -1.518
 1694   1HD   PRO  74          1HD       PRO  74  23.550  -4.650  -2.087
 1695   2HD   PRO  74          2HD       PRO  74  22.938  -4.393  -0.440
 1696    H    ASN  75           H        ASN  75  20.536  -9.162  -1.836
 1697    HA   ASN  75           HA       ASN  75  21.377  -9.297  -4.659
 1698   1HB   ASN  75          1HB       ASN  75  20.151 -11.336  -2.768
 1699   2HB   ASN  75          2HB       ASN  75  20.938 -11.696  -4.303
 1700   1HD2  ASN  75          1HD2      ASN  75  21.501 -10.901  -0.933
 1701   2HD2  ASN  75          2HD2      ASN  75  23.194 -11.007  -0.990
 1702    H    ALA  76           H        ALA  76  18.809  -7.850  -3.557
 1703    HA   ALA  76           HA       ALA  76  16.901  -9.184  -5.451
 1704   1HB   ALA  76          1HB       ALA  76  15.986  -7.454  -3.182
 1705   2HB   ALA  76          2HB       ALA  76  16.627  -9.048  -2.783
 1706   3HB   ALA  76          3HB       ALA  76  15.234  -8.901  -3.855
 1707    H    ARG  77           H        ARG  77  15.429  -7.665  -6.559
 1708    HA   ARG  77           HA       ARG  77  16.252  -4.800  -6.514
 1709   1HB   ARG  77          1HB       ARG  77  17.403  -6.507  -8.250
 1710   2HB   ARG  77          2HB       ARG  77  15.933  -6.159  -9.161
 1711   1HG   ARG  77          1HG       ARG  77  17.589  -4.543  -9.837
 1712   2HG   ARG  77          2HG       ARG  77  16.422  -3.698  -8.822
 1713   1HD   ARG  77          1HD       ARG  77  17.993  -3.244  -7.236
 1714   2HD   ARG  77          2HD       ARG  77  18.636  -4.896  -7.293
 1715    HE   ARG  77           HE       ARG  77  20.240  -4.127  -8.847
 1716   1HH1  ARG  77          1HH1      ARG  77  17.486  -1.998  -8.781
 1717   2HH1  ARG  77          2HH1      ARG  77  18.189  -0.874  -9.890
 1718   1HH2  ARG  77          1HH2      ARG  77  21.132  -2.653 -10.286
 1719   2HH2  ARG  77          2HH2      ARG  77  20.238  -1.239 -10.738
 1720    H    HIS  78           H        HIS  78  14.700  -3.495  -7.945
 1721    HA   HIS  78           HA       HIS  78  11.986  -4.770  -8.018
 1722   1HB   HIS  78          1HB       HIS  78  11.158  -2.529  -7.244
 1723   2HB   HIS  78          2HB       HIS  78  12.233  -3.293  -6.073
 1724    HD1  HIS  78           HD1      HIS  78  14.691  -2.344  -5.917
 1725    HD2  HIS  78           HD2      HIS  78  12.141  -0.142  -8.372
 1726    HE1  HIS  78           HE1      HIS  78  15.845  -0.131  -6.347
 1727    H    GLU  79           H        GLU  79  10.989  -4.543  -9.981
 1728    HA   GLU  79           HA       GLU  79  12.198  -2.649 -11.957
 1729   1HB   GLU  79          1HB       GLU  79  12.221  -5.066 -12.481
 1730   2HB   GLU  79          2HB       GLU  79  10.473  -5.136 -12.258
 1731   1HG   GLU  79          1HG       GLU  79  10.937  -4.962 -14.636
 1732   2HG   GLU  79          2HG       GLU  79  10.233  -3.439 -14.092
 1733    H    LEU  80           H        LEU  80  10.752  -1.340 -13.235
 1734    HA   LEU  80           HA       LEU  80   8.023  -1.007 -12.028
 1735   1HB   LEU  80          1HB       LEU  80  10.189   0.849 -12.952
 1736   2HB   LEU  80          2HB       LEU  80   8.518   1.387 -13.123
 1737    HG   LEU  80           HG       LEU  80   9.431   0.204 -10.517
 1738   1HD1  LEU  80          1HD1      LEU  80  11.030   1.829 -10.419
 1739   2HD1  LEU  80          2HD1      LEU  80   9.661   2.887 -10.079
 1740   3HD1  LEU  80          3HD1      LEU  80  10.294   2.765 -11.720
 1741   1HD2  LEU  80          1HD2      LEU  80   7.709   1.830  -9.683
 1742   2HD2  LEU  80          2HD2      LEU  80   7.056   0.634 -10.802
 1743   3HD2  LEU  80          3HD2      LEU  80   7.382   2.275 -11.358
 1744    H    THR  81           H        THR  81   6.327  -1.269 -13.433
 1745    HA   THR  81           HA       THR  81   6.614  -2.214 -16.090
 1746    HB   THR  81           HB       THR  81   4.161  -1.608 -16.195
 1747    HG1  THR  81           HG1      THR  81   4.479  -0.698 -13.550
 1748   1HG2  THR  81          1HG2      THR  81   5.371  -3.567 -14.780
 1749   2HG2  THR  81          2HG2      THR  81   3.619  -3.371 -14.832
 1750   3HG2  THR  81          3HG2      THR  81   4.538  -2.733 -13.469
 1751    H    ALA  82           H        ALA  82   4.992  -0.681 -17.728
 1752    HA   ALA  82           HA       ALA  82   6.806   1.433 -18.569
 1753   1HB   ALA  82          1HB       ALA  82   5.372   1.500 -20.462
 1754   2HB   ALA  82          2HB       ALA  82   3.975   0.968 -19.526
 1755   3HB   ALA  82          3HB       ALA  82   5.261  -0.174 -19.918
 1756    H    GLY  83           H        GLY  83   6.354   2.386 -16.176
 1757   1HA   GLY  83          1HA       GLY  83   5.250   4.922 -16.398
 1758   2HA   GLY  83          2HA       GLY  83   3.901   3.912 -15.880
 1759    H    LEU  84           H        LEU  84   3.639   4.127 -13.710
 1760    HA   LEU  84           HA       LEU  84   5.964   3.667 -11.931
 1761   1HB   LEU  84          1HB       LEU  84   5.248   6.225 -12.701
 1762   2HB   LEU  84          2HB       LEU  84   4.356   6.032 -11.194
 1763    HG   LEU  84           HG       LEU  84   6.430   5.368 -10.041
 1764   1HD1  LEU  84          1HD1      LEU  84   8.575   5.905 -11.470
 1765   2HD1  LEU  84          2HD1      LEU  84   7.509   5.578 -12.836
 1766   3HD1  LEU  84          3HD1      LEU  84   7.796   4.330 -11.623
 1767   1HD2  LEU  84          1HD2      LEU  84   5.819   7.940 -11.104
 1768   2HD2  LEU  84          2HD2      LEU  84   7.571   7.747 -11.167
 1769   3HD2  LEU  84          3HD2      LEU  84   6.718   7.563  -9.634
 1770    H    LYS  85           H        LYS  85   3.272   2.412 -12.606
 1771    HA   LYS  85           HA       LYS  85   1.941   2.641  -9.935
 1772   1HB   LYS  85          1HB       LYS  85   1.067   1.733 -12.695
 1773   2HB   LYS  85          2HB       LYS  85   0.061   1.513 -11.264
 1774   1HG   LYS  85          1HG       LYS  85   0.028   3.914 -10.861
 1775   2HG   LYS  85          2HG       LYS  85   1.157   4.185 -12.189
 1776   1HD   LYS  85          1HD       LYS  85  -0.476   3.361 -13.800
 1777   2HD   LYS  85          2HD       LYS  85  -1.590   2.937 -12.500
 1778   1HE   LYS  85          1HE       LYS  85  -0.704   5.735 -12.360
 1779   2HE   LYS  85          2HE       LYS  85  -1.587   5.357 -13.851
 1780   1HZ   LYS  85          1HZ       LYS  85  -2.445   4.755 -11.065
 1781   2HZ   LYS  85          2HZ       LYS  85  -3.254   4.206 -12.454
 1782   3HZ   LYS  85          3HZ       LYS  85  -3.165   5.869 -12.125
 1783    H    ARG  86           H        ARG  86   2.145   0.020 -12.367
 1784    HA   ARG  86           HA       ARG  86   2.139  -2.049 -10.348
 1785   1HB   ARG  86          1HB       ARG  86   2.680  -1.883 -13.323
 1786   2HB   ARG  86          2HB       ARG  86   2.765  -3.417 -12.457
 1787   1HG   ARG  86          1HG       ARG  86   0.386  -2.442 -11.541
 1788   2HG   ARG  86          2HG       ARG  86   0.406  -1.783 -13.177
 1789   1HD   ARG  86          1HD       ARG  86   1.149  -4.246 -13.825
 1790   2HD   ARG  86          2HD       ARG  86   0.354  -4.651 -12.292
 1791    HE   ARG  86           HE       ARG  86  -1.371  -2.868 -13.626
 1792   1HH1  ARG  86          1HH1      ARG  86   0.010  -6.016 -14.174
 1793   2HH1  ARG  86          2HH1      ARG  86  -1.329  -6.560 -15.123
 1794   1HH2  ARG  86          1HH2      ARG  86  -3.098  -3.596 -14.862
 1795   2HH2  ARG  86          2HH2      ARG  86  -3.076  -5.202 -15.511
 1796    H    MET  87           H        MET  87   3.871  -2.704  -9.147
 1797    HA   MET  87           HA       MET  87   6.621  -2.163 -10.226
 1798   1HB   MET  87          1HB       MET  87   5.268  -1.818  -7.595
 1799   2HB   MET  87          2HB       MET  87   6.934  -2.390  -7.535
 1800   1HG   MET  87          1HG       MET  87   7.548  -0.479  -9.077
 1801   2HG   MET  87          2HG       MET  87   5.910   0.138  -8.856
 1802   1HE   MET  87          1HE       MET  87   8.058  -1.514  -5.584
 1803   2HE   MET  87          2HE       MET  87   9.338  -0.383  -6.023
 1804   3HE   MET  87          3HE       MET  87   8.698  -1.501  -7.227
 1805    H    ARG  88           H        ARG  88   7.769  -4.003 -10.646
 1806    HA   ARG  88           HA       ARG  88   6.864  -6.568  -9.408
 1807   1HB   ARG  88          1HB       ARG  88   8.571  -5.853 -11.820
 1808   2HB   ARG  88          2HB       ARG  88   8.263  -7.510 -11.299
 1809   1HG   ARG  88          1HG       ARG  88   5.940  -7.335 -11.749
 1810   2HG   ARG  88          2HG       ARG  88   6.007  -5.575 -11.836
 1811   1HD   ARG  88          1HD       ARG  88   5.993  -6.089 -14.111
 1812   2HD   ARG  88          2HD       ARG  88   7.741  -6.126 -13.813
 1813    HE   ARG  88           HE       ARG  88   6.430  -8.669 -13.225
 1814   1HH1  ARG  88          1HH1      ARG  88   7.853  -6.684 -15.706
 1815   2HH1  ARG  88          2HH1      ARG  88   8.238  -8.033 -16.717
 1816   1HH2  ARG  88          1HH2      ARG  88   6.941 -10.403 -14.555
 1817   2HH2  ARG  88          2HH2      ARG  88   7.727 -10.123 -16.073
 1818    H    ILE  89           H        ILE  89   8.675  -8.084  -8.775
 1819    HA   ILE  89           HA       ILE  89  11.156  -6.637  -7.931
 1820    HB   ILE  89           HB       ILE  89   9.370  -8.450  -6.266
 1821   1HG1  ILE  89          1HG1      ILE  89  10.023  -5.512  -5.903
 1822   2HG1  ILE  89          2HG1      ILE  89   8.555  -6.097  -6.686
 1823   1HG2  ILE  89          1HG2      ILE  89  11.354  -6.979  -4.783
 1824   2HG2  ILE  89          2HG2      ILE  89  12.145  -7.917  -6.050
 1825   3HG2  ILE  89          3HG2      ILE  89  11.113  -8.724  -4.869
 1826   1HD1  ILE  89          1HD1      ILE  89   9.095  -7.377  -4.096
 1827   2HD1  ILE  89          2HD1      ILE  89   7.598  -6.680  -4.717
 1828   3HD1  ILE  89          3HD1      ILE  89   8.818  -5.639  -3.983
 1829    H    PHE  90           H        PHE  90  12.937  -7.788  -8.560
 1830    HA   PHE  90           HA       PHE  90  12.612 -10.736  -9.034
 1831   1HB   PHE  90          1HB       PHE  90  14.019  -8.506 -10.512
 1832   2HB   PHE  90          2HB       PHE  90  14.509 -10.183 -10.748
 1833    HD1  PHE  90           HD1      PHE  90  12.948 -11.830 -11.722
 1834    HD2  PHE  90           HD2      PHE  90  11.886  -7.687 -11.315
 1835    HE1  PHE  90           HE1      PHE  90  11.054 -12.162 -13.287
 1836    HE2  PHE  90           HE2      PHE  90   9.992  -8.020 -12.881
 1837    HZ   PHE  90           HZ       PHE  90   9.576 -10.257 -13.867
 1838    H    THR  91           H        THR  91  14.805 -11.883  -8.956
 1839    HA   THR  91           HA       THR  91  16.407 -10.812  -6.662
 1840    HB   THR  91           HB       THR  91  17.029 -13.265  -6.460
 1841    HG1  THR  91           HG1      THR  91  16.626 -13.882  -8.578
 1842   1HG2  THR  91          1HG2      THR  91  14.417 -12.020  -6.040
 1843   2HG2  THR  91          2HG2      THR  91  15.352 -13.055  -4.960
 1844   3HG2  THR  91          3HG2      THR  91  14.310 -13.774  -6.189
 1845    H    ILE  92           H        ILE  92  18.169  -9.737  -7.540
 1846    HA   ILE  92           HA       ILE  92  19.324 -10.278 -10.092
 1847    HB   ILE  92           HB       ILE  92  21.182  -8.862  -9.156
 1848   1HG1  ILE  92          1HG1      ILE  92  19.737  -8.392  -6.636
 1849   2HG1  ILE  92          2HG1      ILE  92  20.474  -9.990  -6.750
 1850   1HG2  ILE  92          1HG2      ILE  92  19.420  -7.037  -8.257
 1851   2HG2  ILE  92          2HG2      ILE  92  18.289  -8.175  -8.991
 1852   3HG2  ILE  92          3HG2      ILE  92  19.564  -7.446  -9.967
 1853   1HD1  ILE  92          1HD1      ILE  92  22.475  -9.066  -6.288
 1854   2HD1  ILE  92          2HD1      ILE  92  21.750  -7.458  -6.266
 1855   3HD1  ILE  92          3HD1      ILE  92  22.361  -8.130  -7.778
 1856    H    LYS  93           H        LYS  93  19.800 -11.809  -6.969
 1857    HA   LYS  93           HA       LYS  93  21.650 -13.743  -8.253
 1858   1HB   LYS  93          1HB       LYS  93  22.330 -12.268  -5.684
 1859   2HB   LYS  93          2HB       LYS  93  23.368 -13.391  -6.559
 1860   1HG   LYS  93          1HG       LYS  93  23.248 -11.790  -8.528
 1861   2HG   LYS  93          2HG       LYS  93  22.472 -10.640  -7.439
 1862   1HD   LYS  93          1HD       LYS  93  24.526 -11.154  -5.883
 1863   2HD   LYS  93          2HD       LYS  93  25.282 -11.707  -7.377
 1864   1HE   LYS  93          1HE       LYS  93  24.212  -9.328  -8.203
 1865   2HE   LYS  93          2HE       LYS  93  24.618  -8.954  -6.517
 1866   1HZ   LYS  93          1HZ       LYS  93  26.827  -9.714  -6.842
 1867   2HZ   LYS  93          2HZ       LYS  93  26.494  -8.685  -8.151
 1868   3HZ   LYS  93          3HZ       LYS  93  26.464 -10.370  -8.365
 1869    HA   PRO  94           HA       PRO  94  19.100 -16.712  -6.125
 1870   1HB   PRO  94          1HB       PRO  94  21.708 -17.982  -5.456
 1871   2HB   PRO  94          2HB       PRO  94  20.313 -18.663  -6.307
 1872   1HG   PRO  94          1HG       PRO  94  22.687 -17.580  -7.433
 1873   2HG   PRO  94          2HG       PRO  94  21.263 -18.197  -8.277
 1874   1HD   PRO  94          1HD       PRO  94  22.098 -15.570  -8.308
 1875   2HD   PRO  94          2HD       PRO  94  20.455 -16.123  -8.658
 1876    H    ILE  95           H        ILE  95  18.508 -17.115  -3.978
 1877    HA   ILE  95           HA       ILE  95  20.262 -15.903  -1.870
 1878    HB   ILE  95           HB       ILE  95  17.249 -15.819  -2.271
 1879   1HG1  ILE  95          1HG1      ILE  95  19.097 -13.456  -2.050
 1880   2HG1  ILE  95          2HG1      ILE  95  18.938 -14.303  -3.589
 1881   1HG2  ILE  95          1HG2      ILE  95  17.067 -15.437  -0.061
 1882   2HG2  ILE  95          2HG2      ILE  95  18.124 -14.035  -0.235
 1883   3HG2  ILE  95          3HG2      ILE  95  18.811 -15.618   0.131
 1884   1HD1  ILE  95          1HD1      ILE  95  16.588 -13.865  -3.692
 1885   2HD1  ILE  95          2HD1      ILE  95  17.346 -12.339  -3.236
 1886   3HD1  ILE  95          3HD1      ILE  95  16.547 -13.327  -2.012
 1887    H    ALA  96           H        ALA  96  20.232 -16.975   0.159
 1888    HA   ALA  96           HA       ALA  96  19.446 -19.816   0.056
 1889   1HB   ALA  96          1HB       ALA  96  20.700 -18.303   2.358
 1890   2HB   ALA  96          2HB       ALA  96  21.643 -18.738   0.932
 1891   3HB   ALA  96          3HB       ALA  96  20.910 -19.999   1.923
 1892    H    ILE  97           H        ILE  97  18.164 -20.772   1.800
 1893    HA   ILE  97           HA       ILE  97  15.697 -19.525   2.292
 1894    HB   ILE  97           HB       ILE  97  17.227 -21.701   3.760
 1895   1HG1  ILE  97          1HG1      ILE  97  15.065 -22.710   2.252
 1896   2HG1  ILE  97          2HG1      ILE  97  15.861 -21.523   1.219
 1897   1HG2  ILE  97          1HG2      ILE  97  14.411 -22.079   3.936
 1898   2HG2  ILE  97          2HG2      ILE  97  14.750 -20.432   4.466
 1899   3HG2  ILE  97          3HG2      ILE  97  15.547 -21.792   5.254
 1900   1HD1  ILE  97          1HD1      ILE  97  16.776 -24.164   2.026
 1901   2HD1  ILE  97          2HD1      ILE  97  17.961 -22.924   2.437
 1902   3HD1  ILE  97          3HD1      ILE  97  17.411 -23.100   0.771
 1903    H    GLY  98           H        GLY  98  18.705 -19.109   4.014
 1904   1HA   GLY  98          1HA       GLY  98  17.227 -17.688   6.190
 1905   2HA   GLY  98          2HA       GLY  98  18.839 -18.377   6.377
 1906    H    GLU  99           H        GLU  99  17.226 -16.078   4.126
 1907    HA   GLU  99           HA       GLU  99  19.576 -14.262   4.561
 1908   1HB   GLU  99          1HB       GLU  99  18.125 -15.059   2.017
 1909   2HB   GLU  99          2HB       GLU  99  19.328 -13.771   2.091
 1910   1HG   GLU  99          1HG       GLU  99  20.536 -15.940   3.385
 1911   2HG   GLU  99          2HG       GLU  99  19.720 -16.653   1.994
 1912    H    GLU 100           H        GLU 100  18.995 -11.993   3.601
 1913    HA   GLU 100           HA       GLU 100  16.158 -11.327   4.322
 1914   1HB   GLU 100          1HB       GLU 100  18.157 -10.653   5.859
 1915   2HB   GLU 100          2HB       GLU 100  18.536  -9.478   4.599
 1916   1HG   GLU 100          1HG       GLU 100  15.873  -9.031   4.875
 1917   2HG   GLU 100          2HG       GLU 100  16.271  -9.532   6.518
 1918    H    ILE 101           H        ILE 101  15.063 -10.498   2.590
 1919    HA   ILE 101           HA       ILE 101  16.549  -9.679   0.178
 1920    HB   ILE 101           HB       ILE 101  13.610  -9.981   0.887
 1921   1HG1  ILE 101          1HG1      ILE 101  15.194 -11.697  -1.007
 1922   2HG1  ILE 101          2HG1      ILE 101  15.270 -11.995   0.730
 1923   1HG2  ILE 101          1HG2      ILE 101  14.061  -8.320  -0.958
 1924   2HG2  ILE 101          2HG2      ILE 101  13.132  -9.728  -1.472
 1925   3HG2  ILE 101          3HG2      ILE 101  14.850  -9.617  -1.855
 1926   1HD1  ILE 101          1HD1      ILE 101  12.813 -12.198   0.808
 1927   2HD1  ILE 101          2HD1      ILE 101  13.498 -13.356  -0.333
 1928   3HD1  ILE 101          3HD1      ILE 101  12.729 -11.884  -0.926
 1929    H    THR 102           H        THR 102  16.719  -7.593  -0.552
 1930    HA   THR 102           HA       THR 102  15.044  -5.426   0.511
 1931    HB   THR 102           HB       THR 102  17.499  -4.355   1.074
 1932    HG1  THR 102           HG1      THR 102  18.630  -5.988   2.211
 1933   1HG2  THR 102          1HG2      THR 102  16.246  -4.058   2.917
 1934   2HG2  THR 102          2HG2      THR 102  16.766  -5.658   3.446
 1935   3HG2  THR 102          3HG2      THR 102  15.260  -5.471   2.546
 1936    H    ILE 103           H        ILE 103  16.107  -3.238  -0.406
 1937    HA   ILE 103           HA       ILE 103  17.441  -3.729  -3.021
 1938    HB   ILE 103           HB       ILE 103  15.658  -2.449  -4.163
 1939   1HG1  ILE 103          1HG1      ILE 103  13.560  -2.420  -2.321
 1940   2HG1  ILE 103          2HG1      ILE 103  14.949  -1.845  -1.399
 1941   1HG2  ILE 103          1HG2      ILE 103  14.412  -4.614  -2.449
 1942   2HG2  ILE 103          2HG2      ILE 103  15.483  -4.956  -3.808
 1943   3HG2  ILE 103          3HG2      ILE 103  13.945  -4.138  -4.082
 1944   1HD1  ILE 103          1HD1      ILE 103  13.574  -0.609  -3.733
 1945   2HD1  ILE 103          2HD1      ILE 103  15.329  -0.445  -3.673
 1946   3HD1  ILE 103          3HD1      ILE 103  14.341   0.160  -2.343
 1947    H    SER 104           H        SER 104  18.916  -2.117  -3.438
 1948    HA   SER 104           HA       SER 104  19.545  -0.112  -1.513
 1949   1HB   SER 104          1HB       SER 104  21.089  -1.062  -3.202
 1950   2HB   SER 104          2HB       SER 104  20.152  -0.303  -4.489
 1951    HG   SER 104           HG       SER 104  22.131   0.795  -3.519
 1952    H    TYR 105           H        TYR 105  19.847   2.281  -2.854
 1953    HA   TYR 105           HA       TYR 105  17.029   3.049  -3.536
 1954   1HB   TYR 105          1HB       TYR 105  19.159   4.580  -1.995
 1955   2HB   TYR 105          2HB       TYR 105  17.523   5.150  -2.320
 1956    HD1  TYR 105           HD1      TYR 105  19.285   4.183   0.309
 1957    HD2  TYR 105           HD2      TYR 105  15.892   2.755  -1.904
 1958    HE1  TYR 105           HE1      TYR 105  18.475   2.986   2.324
 1959    HE2  TYR 105           HE2      TYR 105  15.081   1.558   0.112
 1960    HH   TYR 105           HH       TYR 105  16.159   0.605   2.239
 1961    H    GLY 106           H        GLY 106  20.107   4.882  -3.614
 1962   1HA   GLY 106          1HA       GLY 106  20.479   4.741  -6.443
 1963   2HA   GLY 106          2HA       GLY 106  19.539   6.183  -6.063
 1964    H    ASP 107           H        ASP 107  21.689   7.057  -7.067
 1965    HA   ASP 107           HA       ASP 107  24.054   7.052  -5.369
 1966   1HB   ASP 107          1HB       ASP 107  24.815   8.701  -7.070
 1967   2HB   ASP 107          2HB       ASP 107  24.080   7.291  -7.833
 1968    H    ASP 108           H        ASP 108  21.093   8.800  -5.293
 1969    HA   ASP 108           HA       ASP 108  22.360  11.054  -3.790
 1970   1HB   ASP 108          1HB       ASP 108  20.390  10.838  -5.812
 1971   2HB   ASP 108          2HB       ASP 108  19.526  11.310  -4.349
 1972    H    TYR 109           H        TYR 109  19.391   9.033  -3.645
 1973    HA   TYR 109           HA       TYR 109  18.592   9.686  -1.030
 1974   1HB   TYR 109          1HB       TYR 109  17.656   8.139  -3.001
 1975   2HB   TYR 109          2HB       TYR 109  18.378   6.865  -2.019
 1976    HD1  TYR 109           HD1      TYR 109  16.895   5.830  -0.562
 1977    HD2  TYR 109           HD2      TYR 109  16.440  10.023  -1.370
 1978    HE1  TYR 109           HE1      TYR 109  14.957   5.916   0.983
 1979    HE2  TYR 109           HE2      TYR 109  14.502  10.110   0.176
 1980    HH   TYR 109           HH       TYR 109  12.734   8.207   1.014
 1981    H    TRP 110           H        TRP 110  20.323   9.795   0.458
 1982    HA   TRP 110           HA       TRP 110  21.862   8.975   2.038
 1983   1HB   TRP 110          1HB       TRP 110  19.912   6.766   1.450
 1984   2HB   TRP 110          2HB       TRP 110  21.266   6.436   2.531
 1985    HD1  TRP 110           HD1      TRP 110  18.675   9.295   2.129
 1986    HE1  TRP 110           HE1      TRP 110  17.881   9.986   4.482
 1987    HE3  TRP 110           HE3      TRP 110  21.480   6.115   4.975
 1988    HZ2  TRP 110           HZ2      TRP 110  18.371   9.283   7.211
 1989    HZ3  TRP 110           HZ3      TRP 110  21.296   6.147   7.446
 1990    HH2  TRP 110           HH2      TRP 110  19.747   7.725   8.567
 1991    H    LEU 111           H        LEU 111  21.627   5.839   0.408
 1992    HA   LEU 111           HA       LEU 111  24.372   5.317   0.305
 1993   1HB   LEU 111          1HB       LEU 111  22.482   3.743  -0.140
 1994   2HB   LEU 111          2HB       LEU 111  22.231   4.524  -1.702
 1995    HG   LEU 111           HG       LEU 111  24.959   3.488  -0.989
 1996   1HD1  LEU 111          1HD1      LEU 111  22.521   1.893  -1.416
 1997   2HD1  LEU 111          2HD1      LEU 111  24.079   1.408  -0.746
 1998   3HD1  LEU 111          3HD1      LEU 111  23.851   1.468  -2.494
 1999   1HD2  LEU 111          1HD2      LEU 111  23.683   4.683  -3.240
 2000   2HD2  LEU 111          2HD2      LEU 111  24.087   3.023  -3.679
 2001   3HD2  LEU 111          3HD2      LEU 111  25.348   4.118  -3.112
 2002    H    SER 112           H        SER 112  25.958   5.533  -1.356
 2003    HA   SER 112           HA       SER 112  25.414   6.971  -3.833
 2004   1HB   SER 112          1HB       SER 112  26.811   8.957  -3.129
 2005   2HB   SER 112          2HB       SER 112  25.297   8.816  -2.236
 2006    HG   SER 112           HG       SER 112  27.700   8.933  -1.240
 2007    H    ARG 113           H        ARG 113  28.122   6.633  -1.504
 2008    HA   ARG 113           HA       ARG 113  29.670   5.254  -3.670
 2009   1HB   ARG 113          1HB       ARG 113  30.379   7.444  -1.710
 2010   2HB   ARG 113          2HB       ARG 113  31.638   6.441  -2.431
 2011   1HG   ARG 113          1HG       ARG 113  31.514   7.581  -4.372
 2012   2HG   ARG 113          2HG       ARG 113  29.771   7.328  -4.460
 2013   1HD   ARG 113          1HD       ARG 113  29.820   9.215  -2.529
 2014   2HD   ARG 113          2HD       ARG 113  31.291   9.668  -3.412
 2015    HE   ARG 113           HE       ARG 113  28.563   9.861  -4.428
 2016   1HH1  ARG 113          1HH1      ARG 113  31.899   9.343  -5.275
 2017   2HH1  ARG 113          2HH1      ARG 113  31.688   9.899  -6.898
 2018   1HH2  ARG 113          1HH2      ARG 113  28.313  10.580  -6.540
 2019   2HH2  ARG 113          2HH2      ARG 113  29.674  10.595  -7.612
 2020    HA   PRO 114           HA       PRO 114  30.102   1.931  -0.810
 2021   1HB   PRO 114          1HB       PRO 114  32.895   1.678  -1.816
 2022   2HB   PRO 114          2HB       PRO 114  31.592   0.477  -1.809
 2023   1HG   PRO 114          1HG       PRO 114  32.388   1.715  -4.052
 2024   2HG   PRO 114          2HG       PRO 114  30.707   1.237  -3.780
 2025   1HD   PRO 114          1HD       PRO 114  31.948   3.935  -3.673
 2026   2HD   PRO 114          2HD       PRO 114  30.305   3.459  -4.152
 2027    H    ARG 115           H        ARG 115  30.159   3.252   1.121
 2028    HA   ARG 115           HA       ARG 115  32.928   3.705   2.175
 2029   1HB   ARG 115          1HB       ARG 115  30.514   5.493   2.003
 2030   2HB   ARG 115          2HB       ARG 115  31.641   5.709   3.341
 2031   1HG   ARG 115          1HG       ARG 115  33.479   6.088   1.824
 2032   2HG   ARG 115          2HG       ARG 115  32.494   5.632   0.435
 2033   1HD   ARG 115          1HD       ARG 115  31.491   7.688   0.329
 2034   2HD   ARG 115          2HD       ARG 115  31.373   7.821   2.094
 2035    HE   ARG 115           HE       ARG 115  34.132   7.916   1.254
 2036   1HH1  ARG 115          1HH1      ARG 115  31.207   9.799   1.384
 2037   2HH1  ARG 115          2HH1      ARG 115  32.050  11.308   1.444
 2038   1HH2  ARG 115          1HH2      ARG 115  35.204   9.888   1.332
 2039   2HH2  ARG 115          2HH2      ARG 115  34.295  11.360   1.415
 2040    H    LEU 116           H        LEU 116  31.766   1.357   2.835
 2041    HA   LEU 116           HA       LEU 116  30.371   1.786   5.448
 2042   1HB   LEU 116          1HB       LEU 116  30.320  -0.194   3.245
 2043   2HB   LEU 116          2HB       LEU 116  30.232  -0.894   4.861
 2044    HG   LEU 116           HG       LEU 116  28.427   0.919   5.311
 2045   1HD1  LEU 116          1HD1      LEU 116  27.358   1.900   3.455
 2046   2HD1  LEU 116          2HD1      LEU 116  28.079   0.758   2.321
 2047   3HD1  LEU 116          3HD1      LEU 116  29.069   2.026   3.045
 2048   1HD2  LEU 116          1HD2      LEU 116  27.496  -1.181   5.307
 2049   2HD2  LEU 116          2HD2      LEU 116  28.234  -1.619   3.766
 2050   3HD2  LEU 116          3HD2      LEU 116  26.793  -0.602   3.797
 2051    H    THR 117           H        THR 117  31.568   1.438   7.271
 2052    HA   THR 117           HA       THR 117  34.019  -0.280   7.042
 2053    HB   THR 117           HB       THR 117  33.443   2.200   8.706
 2054    HG1  THR 117           HG1      THR 117  33.887   2.699   6.584
 2055   1HG2  THR 117          1HG2      THR 117  34.917   1.004  10.061
 2056   2HG2  THR 117          2HG2      THR 117  36.041   1.907   9.046
 2057   3HG2  THR 117          3HG2      THR 117  35.696   0.215   8.689
 2058    H    GLN 118           H        GLN 118  34.343  -1.780   8.718
 2059    HA   GLN 118           HA       GLN 118  33.692  -3.240  10.458
 2060   1HB   GLN 118          1HB       GLN 118  33.474  -0.467  11.256
 2061   2HB   GLN 118          2HB       GLN 118  32.249  -1.420  12.094
 2062   1HG   GLN 118          1HG       GLN 118  34.212  -1.516  13.462
 2063   2HG   GLN 118          2HG       GLN 118  34.107  -3.077  12.649
 2064   1HE2  GLN 118          1HE2      GLN 118  36.465  -1.175  13.592
 2065   2HE2  GLN 118          2HE2      GLN 118  37.510  -1.204  12.255
 2066    H    ASN 119           H        ASN 119  31.570  -3.765  11.876
 2067    HA   ASN 119           HA       ASN 119  29.061  -3.203  10.414
 2068   1HB   ASN 119          1HB       ASN 119  30.711  -5.412   9.812
 2069   2HB   ASN 119          2HB       ASN 119  29.393  -6.072  10.779
 2070   1HD2  ASN 119          1HD2      ASN 119  27.393  -6.356   9.728
 2071   2HD2  ASN 119          2HD2      ASN 119  27.032  -5.755   8.182
 2072   1H    GLY 201          1H        GLY 201  22.257  16.992  19.614
 2073   2H    GLY 201          2H        GLY 201  22.379  18.670  19.846
 2074   3H    GLY 201          3H        GLY 201  23.656  17.653  20.313
 2075   1HA   GLY 201          1HA       GLY 201  23.701  16.968  17.842
 2076   2HA   GLY 201          2HA       GLY 201  22.836  18.487  17.613
 2077    H    LYS 202           H        LYS 202  25.103  18.685  16.400
 2078    HA   LYS 202           HA       LYS 202  27.324  19.454  18.182
 2079   1HB   LYS 202          1HB       LYS 202  27.166  18.310  15.738
 2080   2HB   LYS 202          2HB       LYS 202  27.311  19.996  15.244
 2081   1HG   LYS 202          1HG       LYS 202  29.218  19.767  17.242
 2082   2HG   LYS 202          2HG       LYS 202  29.327  18.215  16.412
 2083   1HD   LYS 202          1HD       LYS 202  29.097  20.569  14.635
 2084   2HD   LYS 202          2HD       LYS 202  30.592  20.482  15.567
 2085   1HE   LYS 202          1HE       LYS 202  31.206  18.406  14.608
 2086   2HE   LYS 202          2HE       LYS 202  29.551  18.071  14.064
 2087   1HZ   LYS 202          1HZ       LYS 202  30.812  18.874  12.202
 2088   2HZ   LYS 202          2HZ       LYS 202  31.361  20.219  13.082
 2089   3HZ   LYS 202          3HZ       LYS 202  29.721  20.093  12.660
 2090    H    ALA 203           H        ALA 203  25.341  21.080  15.671
 2091    HA   ALA 203           HA       ALA 203  25.876  23.670  17.090
 2092   1HB   ALA 203          1HB       ALA 203  25.346  24.129  14.342
 2093   2HB   ALA 203          2HB       ALA 203  26.448  22.754  14.401
 2094   3HB   ALA 203          3HB       ALA 203  26.900  24.279  15.161
 2095    HA   PRO 204           HA       PRO 204  21.535  24.312  17.101
 2096   1HB   PRO 204          1HB       PRO 204  21.304  26.968  16.368
 2097   2HB   PRO 204          2HB       PRO 204  21.817  26.432  17.978
 2098   1HG   PRO 204          1HG       PRO 204  23.446  27.410  15.691
 2099   2HG   PRO 204          2HG       PRO 204  23.665  27.674  17.426
 2100   1HD   PRO 204          1HD       PRO 204  25.134  25.895  15.969
 2101   2HD   PRO 204          2HD       PRO 204  24.808  25.709  17.705
 2102    H    ARG 205           H        ARG 205  20.868  23.007  15.314
 2103    HA   ARG 205           HA       ARG 205  20.942  24.155  12.588
 2104   1HB   ARG 205          1HB       ARG 205  21.324  21.680  13.501
 2105   2HB   ARG 205          2HB       ARG 205  19.569  21.595  13.356
 2106   1HG   ARG 205          1HG       ARG 205  19.779  21.270  11.140
 2107   2HG   ARG 205          2HG       ARG 205  20.567  22.840  10.993
 2108   1HD   ARG 205          1HD       ARG 205  22.716  21.617  11.784
 2109   2HD   ARG 205          2HD       ARG 205  21.844  20.127  11.375
 2110    HE   ARG 205           HE       ARG 205  22.022  20.725   9.090
 2111   1HH1  ARG 205          1HH1      ARG 205  22.605  23.477  11.141
 2112   2HH1  ARG 205          2HH1      ARG 205  23.054  24.502   9.822
 2113   1HH2  ARG 205          1HH2      ARG 205  22.609  22.074   7.396
 2114   2HH2  ARG 205          2HH2      ARG 205  23.057  23.716   7.718
 2115    H    LYS 206           H        LYS 206  19.309  25.556  12.064
 2116    HA   LYS 206           HA       LYS 206  16.676  25.336  13.413
 2117   1HB   LYS 206          1HB       LYS 206  16.331  27.531  12.294
 2118   2HB   LYS 206          2HB       LYS 206  17.852  27.505  13.186
 2119   1HG   LYS 206          1HG       LYS 206  18.369  26.494  10.568
 2120   2HG   LYS 206          2HG       LYS 206  17.445  27.986  10.392
 2121   1HD   LYS 206          1HD       LYS 206  19.863  27.757  12.200
 2122   2HD   LYS 206          2HD       LYS 206  19.971  28.279  10.519
 2123   1HE   LYS 206          1HE       LYS 206  18.950  30.308  10.948
 2124   2HE   LYS 206          2HE       LYS 206  17.937  29.638  12.242
 2125   1HZ   LYS 206          1HZ       LYS 206  19.648  30.949  13.253
 2126   2HZ   LYS 206          2HZ       LYS 206  20.860  30.185  12.341
 2127   3HZ   LYS 206          3HZ       LYS 206  20.023  29.318  13.537
 2128    H    GLN 207           H        GLN 207  17.206  23.163  11.674
 2129    HA   GLN 207           HA       GLN 207  16.276  22.013   9.831
 2130   1HB   GLN 207          1HB       GLN 207  14.285  22.707  11.202
 2131   2HB   GLN 207          2HB       GLN 207  14.163  24.167  10.219
 2132   1HG   GLN 207          1HG       GLN 207  13.245  23.046   8.468
 2133   2HG   GLN 207          2HG       GLN 207  14.352  21.685   8.646
 2134   1HE2  GLN 207          1HE2      GLN 207  11.593  23.150  10.474
 2135   2HE2  GLN 207          2HE2      GLN 207  10.898  21.660  10.898
 2136    H    LEU 208           H        LEU 208  17.955  22.763   8.336
 2137    HA   LEU 208           HA       LEU 208  17.019  24.944   6.499
 2138   1HB   LEU 208          1HB       LEU 208  19.454  24.480   7.970
 2139   2HB   LEU 208          2HB       LEU 208  19.815  24.435   6.245
 2140    HG   LEU 208           HG       LEU 208  19.984  26.738   7.133
 2141   1HD1  LEU 208          1HD1      LEU 208  18.684  25.914   4.846
 2142   2HD1  LEU 208          2HD1      LEU 208  19.127  27.582   5.208
 2143   3HD1  LEU 208          3HD1      LEU 208  17.502  27.002   5.574
 2144   1HD2  LEU 208          1HD2      LEU 208  18.444  27.607   8.540
 2145   2HD2  LEU 208          2HD2      LEU 208  17.767  25.982   8.648
 2146   3HD2  LEU 208          3HD2      LEU 208  17.113  27.134   7.484
 2147    H    ALA 209           H        ALA 209  16.325  22.084   6.294
 2148    HA   ALA 209           HA       ALA 209  17.743  21.444   3.726
 2149   1HB   ALA 209          1HB       ALA 209  16.592  19.533   5.792
 2150   2HB   ALA 209          2HB       ALA 209  18.291  20.000   5.724
 2151   3HB   ALA 209          3HB       ALA 209  17.569  19.100   4.390
 2152    H    THR 210           H        THR 210  16.236  21.947   2.156
 2153    HA   THR 210           HA       THR 210  13.404  21.071   2.616
 2154    HB   THR 210           HB       THR 210  13.787  23.506   2.406
 2155    HG1  THR 210           HG1      THR 210  11.996  23.503   1.351
 2156   1HG2  THR 210          1HG2      THR 210  15.533  24.121   1.107
 2157   2HG2  THR 210          2HG2      THR 210  14.459  23.877  -0.270
 2158   3HG2  THR 210          3HG2      THR 210  15.532  22.578   0.252
 2159    H    LYS 211           H        LYS 211  15.840  19.600   1.405
 2160    HA   LYS 211           HA       LYS 211  14.379  18.377  -0.807
 2161   1HB   LYS 211          1HB       LYS 211  16.071  19.060  -2.519
 2162   2HB   LYS 211          2HB       LYS 211  15.212  20.446  -1.849
 2163   1HG   LYS 211          1HG       LYS 211  17.239  20.381  -0.106
 2164   2HG   LYS 211          2HG       LYS 211  18.052  19.603  -1.463
 2165   1HD   LYS 211          1HD       LYS 211  17.613  21.486  -2.902
 2166   2HD   LYS 211          2HD       LYS 211  16.546  22.221  -1.705
 2167   1HE   LYS 211          1HE       LYS 211  18.883  21.882  -0.266
 2168   2HE   LYS 211          2HE       LYS 211  19.482  22.306  -1.882
 2169   1HZ   LYS 211          1HZ       LYS 211  19.006  24.354  -0.867
 2170   2HZ   LYS 211          2HZ       LYS 211  17.559  23.789  -0.180
 2171   3HZ   LYS 211          3HZ       LYS 211  17.656  24.059  -1.854
 2172    H    ALA 212           H        ALA 212  14.812  16.357   0.133
 2173    HA   ALA 212           HA       ALA 212  17.696  15.633   0.514
 2174   1HB   ALA 212          1HB       ALA 212  15.082  14.850   1.790
 2175   2HB   ALA 212          2HB       ALA 212  16.582  15.355   2.566
 2176   3HB   ALA 212          3HB       ALA 212  16.449  13.740   1.871
 2177    H    ALA 213           H        ALA 213  15.905  15.554  -1.999
 2178    HA   ALA 213           HA       ALA 213  15.559  14.084  -3.814
 2179   1HB   ALA 213          1HB       ALA 213  17.477  12.082  -3.132
 2180   2HB   ALA 213          2HB       ALA 213  18.099  13.622  -2.537
 2181   3HB   ALA 213          3HB       ALA 213  17.687  13.436  -4.242
 2182    H    ARG 214           H        ARG 214  15.230  11.584  -4.277
 2183    HA   ARG 214           HA       ARG 214  13.865  10.320  -1.924
 2184   1HB   ARG 214          1HB       ARG 214  12.939  10.854  -4.752
 2185   2HB   ARG 214          2HB       ARG 214  12.196   9.582  -3.784
 2186   1HG   ARG 214          1HG       ARG 214  11.215  11.074  -2.329
 2187   2HG   ARG 214          2HG       ARG 214  12.511  12.258  -2.504
 2188   1HD   ARG 214          1HD       ARG 214  11.517  12.309  -5.027
 2189   2HD   ARG 214          2HD       ARG 214  10.042  11.905  -4.127
 2190    HE   ARG 214           HE       ARG 214  11.615  14.022  -2.866
 2191   1HH1  ARG 214          1HH1      ARG 214   9.189  13.275  -5.248
 2192   2HH1  ARG 214          2HH1      ARG 214   8.491  14.856  -5.193
 2193   1HH2  ARG 214          1HH2      ARG 214  10.691  16.067  -2.813
 2194   2HH2  ARG 214          2HH2      ARG 214   9.333  16.426  -3.826
 2195   1HN   MLZ 215          1HN       MLZ 215  13.133   7.941  -2.984
 2196    HA   MLZ 215           HA       MLZ 215  15.580   6.463  -3.195
 2197   1HB   MLZ 215          1HB       MLZ 215  12.756   5.709  -4.035
 2198   2HB   MLZ 215          2HB       MLZ 215  14.047   4.589  -3.602
 2199   1HG   MLZ 215          1HG       MLZ 215  12.188   5.946  -1.870
 2200   2HG   MLZ 215          2HG       MLZ 215  13.831   6.442  -1.465
 2201   1HD   MLZ 215          1HD       MLZ 215  14.261   3.807  -1.746
 2202   2HD   MLZ 215          2HD       MLZ 215  13.740   4.510  -0.215
 2203   1HE   MLZ 215          1HE       MLZ 215  12.394   2.474  -1.054
 2204   2HE   MLZ 215          2HE       MLZ 215  11.733   3.572  -2.280
 2205    HZ   MLZ 215           HZ       MLZ 215  10.300   3.850  -0.481
 2206   1HCM  MLZ 215          1HCM      MLZ 215  11.083   2.716   1.300
 2207   2HCM  MLZ 215          2HCM      MLZ 215  11.449   4.361   1.816
 2208   3HCM  MLZ 215          3HCM      MLZ 215  12.711   3.363   1.096
 2209    H    SER 216           H        SER 216  16.880   6.245  -4.963
 2210    HA   SER 216           HA       SER 216  17.575   6.155  -7.217
 2211   1HB   SER 216          1HB       SER 216  15.745   7.878  -8.456
 2212   2HB   SER 216          2HB       SER 216  15.765   8.410  -6.774
 2213    HG   SER 216           HG       SER 216  17.630   8.731  -8.682
 2214    H    ALA 217           H        ALA 217  16.635   5.777  -9.547
 2215    HA   ALA 217           HA       ALA 217  14.253   3.961  -9.332
 2216   1HB   ALA 217          1HB       ALA 217  14.056   6.187 -10.588
 2217   2HB   ALA 217          2HB       ALA 217  13.627   4.753 -11.521
 2218   3HB   ALA 217          3HB       ALA 217  15.196   5.523 -11.758
 2219    HA   PRO 218           HA       PRO 218  16.880   0.801 -10.901
 2220   1HB   PRO 218          1HB       PRO 218  15.053  -0.753 -12.253
 2221   2HB   PRO 218          2HB       PRO 218  15.177  -0.714 -10.484
 2222   1HG   PRO 218          1HG       PRO 218  13.239   0.649 -12.286
 2223   2HG   PRO 218          2HG       PRO 218  12.979  -0.085 -10.697
 2224   1HD   PRO 218          1HD       PRO 218  13.214   2.608 -11.114
 2225   2HD   PRO 218          2HD       PRO 218  13.626   1.805  -9.584
 2226    H    ALA 219           H        ALA 219  15.393   3.054 -12.937
 2227    HA   ALA 219           HA       ALA 219  15.782   3.674 -15.179
 2228   1HB   ALA 219          1HB       ALA 219  18.185   1.843 -14.894
 2229   2HB   ALA 219          2HB       ALA 219  18.116   3.437 -14.143
 2230   3HB   ALA 219          3HB       ALA 219  18.048   3.286 -15.899
 2231    H    THR 220           H        THR 220  16.102   2.661 -17.444
 2232    HA   THR 220           HA       THR 220  14.597   0.091 -17.519
 2233    HB   THR 220           HB       THR 220  14.518   0.907 -20.027
 2234    HG1  THR 220           HG1      THR 220  15.783   2.581 -20.208
 2235   1HG2  THR 220          1HG2      THR 220  13.169   2.424 -17.771
 2236   2HG2  THR 220          2HG2      THR 220  12.588   0.932 -18.511
 2237   3HG2  THR 220          3HG2      THR 220  12.634   2.423 -19.452
 2238    H    GLY 221           H        GLY 221  15.285  -1.034 -19.842
 2239   1HA   GLY 221          1HA       GLY 221  17.527  -1.328 -21.126
 2240   2HA   GLY 221          2HA       GLY 221  18.196  -1.609 -19.518
 2241   1HN   SAH 301          1HN       SAH 301 -11.398  -1.665  -7.183
 2242   2HN   SAH 301          2HN       SAH 301  -9.789  -1.141  -7.020
 2243    HA   SAH 301           HA       SAH 301 -12.183   0.528  -7.567
 2244   1HB   SAH 301          1HB       SAH 301 -10.759  -0.371  -5.283
 2245   2HB   SAH 301          2HB       SAH 301 -10.349   1.332  -5.484
 2246   1HG   SAH 301          1HG       SAH 301 -12.804   0.172  -4.517
 2247   2HG   SAH 301          2HG       SAH 301 -13.138   1.095  -5.980
 2248   1H5*  SAH 301          1H5*      SAH 301 -14.648   2.064  -4.481
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.349   3.326  -3.285
 2250    H4*  SAH 301           H4*      SAH 301 -13.392   4.561  -5.390
 2251    H3*  SAH 301           H3*      SAH 301 -15.857   4.510  -3.897
 2252   *HO3  SAH 301          *HO3      SAH 301 -14.268   6.324  -5.302
 2253    H2*  SAH 301           H2*      SAH 301 -17.413   4.285  -5.488
 2254   *HO2  SAH 301          *HO2      SAH 301 -16.664   5.855  -7.480
 2255    H1*  SAH 301           H1*      SAH 301 -15.870   4.211  -7.913
 2256    H8   SAH 301           H8       SAH 301 -15.704   0.980  -6.130
 2257   1HN6  SAH 301          1HN6      SAH 301 -21.559  -0.202  -7.503
 2258   2HN6  SAH 301          2HN6      SAH 301 -20.233  -0.689  -6.473
 2259    H2   SAH 301           H2       SAH 301 -20.678   4.051  -8.726
 2260   1HN   SAH 302          1HN       SAH 302  11.452  -1.694   7.194
 2261   2HN   SAH 302          2HN       SAH 302   9.845  -1.162   7.043
 2262    HA   SAH 302           HA       SAH 302  12.257   0.485   7.577
 2263   1HB   SAH 302          1HB       SAH 302  10.806  -0.397   5.302
 2264   2HB   SAH 302          2HB       SAH 302  10.408   1.309   5.509
 2265   1HG   SAH 302          1HG       SAH 302  12.848   0.136   4.520
 2266   2HG   SAH 302          2HG       SAH 302  13.198   1.056   5.982
 2267   1H5*  SAH 302          1H5*      SAH 302  14.702   2.017   4.473
 2268   2H5*  SAH 302          2H5*      SAH 302  14.402   3.281   3.281
 2269    H4*  SAH 302           H4*      SAH 302  13.469   4.519   5.394
 2270    H3*  SAH 302           H3*      SAH 302  15.922   4.456   3.882
 2271   *HO3  SAH 302          *HO3      SAH 302  14.354   6.278   5.302
 2272    H2*  SAH 302           H2*      SAH 302  17.488   4.220   5.462
 2273   *HO2  SAH 302          *HO2      SAH 302  16.762   5.793   7.461
 2274    H1*  SAH 302           H1*      SAH 302  15.962   4.152   7.898
 2275    H8   SAH 302           H8       SAH 302  15.764   0.923   6.113
 2276   1HN6  SAH 302          1HN6      SAH 302  21.624  -0.293   7.442
 2277   2HN6  SAH 302          2HN6      SAH 302  20.287  -0.771   6.421
 2278    H2   SAH 302           H2       SAH 302  20.775   3.964   8.676
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1   0.872 -11.352  -8.771
    2   2H    MET   1          2H        MET   1   1.465 -11.052  -7.208
    3   3H    MET   1          3H        MET   1   1.611  -9.865  -8.414
    4    HA   MET   1           HA       MET   1  -0.198  -9.358  -6.837
    5   1HB   MET   1          1HB       MET   1  -0.400  -9.823  -9.778
    6   2HB   MET   1          2HB       MET   1  -1.900  -9.420  -8.943
    7   1HG   MET   1          1HG       MET   1   0.587  -7.801  -8.447
    8   2HG   MET   1          2HG       MET   1  -0.415  -7.478  -9.862
    9   1HE   MET   1          1HE       MET   1  -0.922  -5.366  -9.500
   10   2HE   MET   1          2HE       MET   1  -0.309  -4.918  -7.908
   11   3HE   MET   1          3HE       MET   1  -2.006  -4.649  -8.308
   12    H    PHE   2           H        PHE   2  -1.265 -11.950  -9.076
   13    HA   PHE   2           HA       PHE   2  -3.556 -12.769  -7.688
   14   1HB   PHE   2          1HB       PHE   2  -3.110 -14.960  -8.867
   15   2HB   PHE   2          2HB       PHE   2  -2.955 -13.552  -9.916
   16    HD1  PHE   2           HD1      PHE   2  -1.014 -15.986  -7.865
   17    HD2  PHE   2           HD2      PHE   2  -0.894 -13.022 -10.972
   18    HE1  PHE   2           HE1      PHE   2   1.326 -16.624  -8.384
   19    HE2  PHE   2           HE2      PHE   2   1.445 -13.660 -11.491
   20    HZ   PHE   2           HZ       PHE   2   2.555 -15.460 -10.196
   21    H    ASN   3           H        ASN   3  -3.946 -14.144  -5.951
   22    HA   ASN   3           HA       ASN   3  -1.599 -15.422  -4.612
   23   1HB   ASN   3          1HB       ASN   3  -3.288 -13.185  -3.749
   24   2HB   ASN   3          2HB       ASN   3  -3.258 -14.493  -2.567
   25   1HD2  ASN   3          1HD2      ASN   3  -1.767 -11.673  -3.024
   26   2HD2  ASN   3          2HD2      ASN   3  -0.182 -12.049  -2.547
   27    H    ASP   4           H        ASP   4  -2.108 -17.394  -3.630
   28    HA   ASP   4           HA       ASP   4  -4.157 -19.023  -4.525
   29   1HB   ASP   4          1HB       ASP   4  -2.111 -19.574  -3.133
   30   2HB   ASP   4          2HB       ASP   4  -3.005 -19.029  -1.714
   31    H    ARG   5           H        ARG   5  -4.261 -17.141  -1.465
   32    HA   ARG   5           HA       ARG   5  -6.953 -17.916  -0.802
   33   1HB   ARG   5          1HB       ARG   5  -4.896 -15.927   0.049
   34   2HB   ARG   5          2HB       ARG   5  -6.559 -15.601   0.539
   35   1HG   ARG   5          1HG       ARG   5  -5.061 -18.194   1.031
   36   2HG   ARG   5          2HG       ARG   5  -5.368 -16.947   2.240
   37   1HD   ARG   5          1HD       ARG   5  -7.880 -17.510   1.063
   38   2HD   ARG   5          2HD       ARG   5  -7.116 -19.078   1.383
   39    HE   ARG   5           HE       ARG   5  -6.806 -17.144   3.563
   40   1HH1  ARG   5          1HH1      ARG   5  -8.791 -19.645   2.175
   41   2HH1  ARG   5          2HH1      ARG   5  -9.552 -20.026   3.680
   42   1HH2  ARG   5          1HH2      ARG   5  -7.809 -17.656   5.502
   43   2HH2  ARG   5          2HH2      ARG   5  -9.003 -18.910   5.550
   44    H    VAL   6           H        VAL   6  -5.600 -15.139  -2.575
   45    HA   VAL   6           HA       VAL   6  -8.279 -14.593  -3.714
   46    HB   VAL   6           HB       VAL   6  -6.680 -12.631  -2.025
   47   1HG1  VAL   6          1HG1      VAL   6  -9.380 -12.153  -3.294
   48   2HG1  VAL   6          2HG1      VAL   6  -7.879 -11.723  -4.114
   49   3HG1  VAL   6          3HG1      VAL   6  -8.288 -10.970  -2.573
   50   1HG2  VAL   6          1HG2      VAL   6  -7.887 -14.090  -0.579
   51   2HG2  VAL   6          2HG2      VAL   6  -9.299 -14.091  -1.637
   52   3HG2  VAL   6          3HG2      VAL   6  -8.886 -12.644  -0.717
   53    H    ILE   7           H        ILE   7  -8.124 -13.403  -5.690
   54    HA   ILE   7           HA       ILE   7  -5.314 -12.953  -6.655
   55    HB   ILE   7           HB       ILE   7  -6.500 -14.840  -7.708
   56   1HG1  ILE   7          1HG1      ILE   7  -6.513 -12.504  -9.634
   57   2HG1  ILE   7          2HG1      ILE   7  -5.029 -13.270  -9.069
   58   1HG2  ILE   7          1HG2      ILE   7  -8.742 -14.703  -7.878
   59   2HG2  ILE   7          2HG2      ILE   7  -8.513 -13.569  -9.209
   60   3HG2  ILE   7          3HG2      ILE   7  -8.706 -12.968  -7.563
   61   1HD1  ILE   7          1HD1      ILE   7  -6.110 -15.489  -9.839
   62   2HD1  ILE   7          2HD1      ILE   7  -5.523 -14.396 -11.093
   63   3HD1  ILE   7          3HD1      ILE   7  -7.247 -14.474 -10.726
   64    H    VAL   8           H        VAL   8  -5.207 -11.256  -8.428
   65    HA   VAL   8           HA       VAL   8  -6.915  -8.935  -7.672
   66    HB   VAL   8           HB       VAL   8  -4.331  -9.222  -9.250
   67   1HG1  VAL   8          1HG1      VAL   8  -6.163  -7.134  -9.350
   68   2HG1  VAL   8          2HG1      VAL   8  -4.453  -7.022  -9.768
   69   3HG1  VAL   8          3HG1      VAL   8  -4.995  -6.594  -8.145
   70   1HG2  VAL   8          1HG2      VAL   8  -4.833  -9.345  -6.486
   71   2HG2  VAL   8          2HG2      VAL   8  -4.221  -7.716  -6.772
   72   3HG2  VAL   8          3HG2      VAL   8  -3.267  -9.116  -7.264
   73    H    LYS   9           H        LYS   9  -8.527  -8.317  -9.033
   74    HA   LYS   9           HA       LYS   9  -8.262  -8.756 -11.941
   75   1HB   LYS   9          1HB       LYS   9  -9.762 -10.356 -10.116
   76   2HB   LYS   9          2HB       LYS   9 -10.847  -9.609 -11.271
   77   1HG   LYS   9          1HG       LYS   9 -10.240 -11.215 -12.732
   78   2HG   LYS   9          2HG       LYS   9  -8.653 -10.447 -12.795
   79   1HD   LYS   9          1HD       LYS   9  -7.718 -11.979 -11.345
   80   2HD   LYS   9          2HD       LYS   9  -9.245 -12.245 -10.499
   81   1HE   LYS   9          1HE       LYS   9  -9.301 -14.198 -11.701
   82   2HE   LYS   9          2HE       LYS   9  -9.826 -13.163 -13.038
   83   1HZ   LYS   9          1HZ       LYS   9  -7.667 -12.966 -13.840
   84   2HZ   LYS   9          2HZ       LYS   9  -7.730 -14.596 -13.369
   85   3HZ   LYS   9          3HZ       LYS   9  -6.960 -13.455 -12.376
   86    H    LYS  10           H        LYS  10 -10.049  -5.631 -12.056
   87    HA   LYS  10           HA       LYS  10  -8.409  -5.676 -13.709
   88   1HB   LYS  10          1HB       LYS  10  -7.274  -6.653 -11.329
   89   2HB   LYS  10          2HB       LYS  10  -6.735  -7.764 -12.588
   90   1HG   LYS  10          1HG       LYS  10  -6.552  -4.748 -12.812
   91   2HG   LYS  10          2HG       LYS  10  -5.225  -5.774 -12.267
   92   1HD   LYS  10          1HD       LYS  10  -4.925  -6.731 -14.363
   93   2HD   LYS  10          2HD       LYS  10  -6.599  -6.450 -14.844
   94   1HE   LYS  10          1HE       LYS  10  -6.102  -3.986 -14.923
   95   2HE   LYS  10          2HE       LYS  10  -4.397  -4.366 -14.614
   96   1HZ   LYS  10          1HZ       LYS  10  -4.639  -6.004 -16.522
   97   2HZ   LYS  10          2HZ       LYS  10  -4.602  -4.359 -16.943
   98   3HZ   LYS  10          3HZ       LYS  10  -6.080  -5.195 -16.911
   99    H    SER  11           H        SER  11 -10.376  -6.848 -14.764
  100    HA   SER  11           HA       SER  11  -9.384  -8.972 -16.368
  101   1HB   SER  11          1HB       SER  11  -9.639 -10.660 -14.885
  102   2HB   SER  11          2HB       SER  11 -10.640  -9.668 -13.829
  103    HG   SER  11           HG       SER  11 -12.407 -10.123 -15.114
  104    HA   PRO  12           HA       PRO  12 -13.935  -8.278 -17.414
  105   1HB   PRO  12          1HB       PRO  12 -15.079  -6.426 -15.460
  106   2HB   PRO  12          2HB       PRO  12 -15.572  -8.090 -15.819
  107   1HG   PRO  12          1HG       PRO  12 -14.383  -7.359 -13.493
  108   2HG   PRO  12          2HG       PRO  12 -14.235  -8.969 -14.186
  109   1HD   PRO  12          1HD       PRO  12 -12.335  -6.670 -14.257
  110   2HD   PRO  12          2HD       PRO  12 -12.024  -8.390 -13.963
  111    H    LEU  13           H        LEU  13 -15.458  -5.785 -17.257
  112    HA   LEU  13           HA       LEU  13 -13.590  -4.038 -18.787
  113   1HB   LEU  13          1HB       LEU  13 -16.179  -5.005 -19.179
  114   2HB   LEU  13          2HB       LEU  13 -16.434  -3.330 -18.691
  115    HG   LEU  13           HG       LEU  13 -14.411  -2.954 -20.423
  116   1HD1  LEU  13          1HD1      LEU  13 -15.872  -5.435 -21.377
  117   2HD1  LEU  13          2HD1      LEU  13 -14.153  -5.302 -21.004
  118   3HD1  LEU  13          3HD1      LEU  13 -14.823  -4.449 -22.395
  119   1HD2  LEU  13          1HD2      LEU  13 -16.502  -1.783 -20.611
  120   2HD2  LEU  13          2HD2      LEU  13 -17.362  -3.265 -21.027
  121   3HD2  LEU  13          3HD2      LEU  13 -16.216  -2.562 -22.167
  122    H    GLY  14           H        GLY  14 -15.125  -4.230 -15.715
  123   1HA   GLY  14          1HA       GLY  14 -15.598  -1.453 -15.206
  124   2HA   GLY  14          2HA       GLY  14 -15.342  -2.682 -13.968
  125    H    GLY  15           H        GLY  15 -13.819  -1.714 -12.655
  126   1HA   GLY  15          1HA       GLY  15 -11.370  -0.630 -13.980
  127   2HA   GLY  15          2HA       GLY  15 -11.941  -0.126 -12.390
  128    H    TYR  16           H        TYR  16 -10.105  -0.737 -11.215
  129    HA   TYR  16           HA       TYR  16  -9.136  -3.539 -11.456
  130   1HB   TYR  16          1HB       TYR  16  -8.162  -0.972 -10.185
  131   2HB   TYR  16          2HB       TYR  16  -7.386  -2.513  -9.831
  132    HD1  TYR  16           HD1      TYR  16  -8.640  -0.613 -12.823
  133    HD2  TYR  16           HD2      TYR  16  -5.562  -3.096 -11.146
  134    HE1  TYR  16           HE1      TYR  16  -7.355  -0.449 -14.938
  135    HE2  TYR  16           HE2      TYR  16  -4.277  -2.932 -13.261
  136    HH   TYR  16           HH       TYR  16  -4.614  -0.718 -15.447
  137    H    GLY  17           H        GLY  17 -10.465  -4.881 -10.240
  138   1HA   GLY  17          1HA       GLY  17 -10.950  -4.074  -7.397
  139   2HA   GLY  17          2HA       GLY  17 -12.090  -5.058  -8.317
  140    H    VAL  18           H        VAL  18 -11.591  -6.507  -6.286
  141    HA   VAL  18           HA       VAL  18  -9.213  -8.210  -6.996
  142    HB   VAL  18           HB       VAL  18  -8.696  -7.081  -4.953
  143   1HG1  VAL  18          1HG1      VAL  18 -10.646  -7.630  -3.076
  144   2HG1  VAL  18          2HG1      VAL  18 -11.582  -7.283  -4.526
  145   3HG1  VAL  18          3HG1      VAL  18 -10.436  -6.092  -3.916
  146   1HG2  VAL  18          1HG2      VAL  18  -8.584  -9.693  -5.010
  147   2HG2  VAL  18          2HG2      VAL  18  -9.915  -9.601  -3.855
  148   3HG2  VAL  18          3HG2      VAL  18  -8.361  -8.861  -3.471
  149    H    PHE  19           H        PHE  19  -9.702 -10.337  -7.372
  150    HA   PHE  19           HA       PHE  19 -12.538 -11.167  -7.086
  151   1HB   PHE  19          1HB       PHE  19 -10.101 -11.956  -8.646
  152   2HB   PHE  19          2HB       PHE  19 -11.348 -13.176  -8.403
  153    HD1  PHE  19           HD1      PHE  19 -11.952 -13.284 -10.758
  154    HD2  PHE  19           HD2      PHE  19 -12.160  -9.566  -8.611
  155    HE1  PHE  19           HE1      PHE  19 -13.275 -12.290 -12.603
  156    HE2  PHE  19           HE2      PHE  19 -13.484  -8.575 -10.459
  157    HZ   PHE  19           HZ       PHE  19 -14.036  -9.937 -12.457
  158    H    ALA  20           H        ALA  20 -12.968 -13.403  -6.286
  159    HA   ALA  20           HA       ALA  20 -11.027 -14.232  -4.154
  160   1HB   ALA  20          1HB       ALA  20 -13.665 -15.028  -3.501
  161   2HB   ALA  20          2HB       ALA  20 -13.786 -13.373  -4.099
  162   3HB   ALA  20          3HB       ALA  20 -12.723 -13.746  -2.741
  163    H    ARG  21           H        ARG  21 -10.093 -15.988  -5.299
  164    HA   ARG  21           HA       ARG  21 -11.484 -17.868  -6.933
  165   1HB   ARG  21          1HB       ARG  21  -8.894 -17.503  -5.617
  166   2HB   ARG  21          2HB       ARG  21  -9.361 -19.203  -5.683
  167   1HG   ARG  21          1HG       ARG  21  -9.050 -19.300  -7.923
  168   2HG   ARG  21          2HG       ARG  21  -9.913 -17.784  -8.185
  169   1HD   ARG  21          1HD       ARG  21  -7.948 -16.684  -8.448
  170   2HD   ARG  21          2HD       ARG  21  -7.383 -17.262  -6.869
  171    HE   ARG  21           HE       ARG  21  -6.764 -18.470  -9.459
  172   1HH1  ARG  21          1HH1      ARG  21  -7.186 -19.029  -6.049
  173   2HH1  ARG  21          2HH1      ARG  21  -6.185 -20.440  -6.045
  174   1HH2  ARG  21          1HH2      ARG  21  -5.469 -20.303  -9.428
  175   2HH2  ARG  21          2HH2      ARG  21  -5.220 -21.158  -7.942
  176    H    LYS  22           H        LYS  22 -11.418 -17.453  -3.492
  177    HA   LYS  22           HA       LYS  22 -12.371 -20.206  -2.949
  178   1HB   LYS  22          1HB       LYS  22 -12.057 -17.810  -1.099
  179   2HB   LYS  22          2HB       LYS  22 -12.114 -19.507  -0.634
  180   1HG   LYS  22          1HG       LYS  22 -10.038 -19.363  -2.507
  181   2HG   LYS  22          2HG       LYS  22  -9.837 -17.930  -1.500
  182   1HD   LYS  22          1HD       LYS  22  -9.354 -19.153   0.375
  183   2HD   LYS  22          2HD       LYS  22 -10.463 -20.452  -0.063
  184   1HE   LYS  22          1HE       LYS  22  -8.113 -20.136  -1.854
  185   2HE   LYS  22          2HE       LYS  22  -7.761 -20.714  -0.214
  186   1HZ   LYS  22          1HZ       LYS  22  -9.724 -21.834  -2.148
  187   2HZ   LYS  22          2HZ       LYS  22  -9.669 -22.281  -0.510
  188   3HZ   LYS  22          3HZ       LYS  22  -8.345 -22.604  -1.523
  189    H    SER  23           H        SER  23 -15.741 -19.140  -1.866
  190    HA   SER  23           HA       SER  23 -13.385 -20.875  -1.277
  191   1HB   SER  23          1HB       SER  23 -15.512 -21.900  -2.013
  192   2HB   SER  23          2HB       SER  23 -15.172 -22.344  -0.339
  193    HG   SER  23           HG       SER  23 -16.972 -21.437   0.170
  194    H    PHE  24           H        PHE  24 -15.366 -18.358   0.075
  195    HA   PHE  24           HA       PHE  24 -13.934 -18.695   2.685
  196   1HB   PHE  24          1HB       PHE  24 -15.091 -16.344   1.157
  197   2HB   PHE  24          2HB       PHE  24 -14.560 -16.203   2.833
  198    HD1  PHE  24           HD1      PHE  24 -12.169 -17.773   3.037
  199    HD2  PHE  24           HD2      PHE  24 -13.515 -15.358  -0.251
  200    HE1  PHE  24           HE1      PHE  24  -9.822 -17.506   2.272
  201    HE2  PHE  24           HE2      PHE  24 -11.171 -15.092  -1.015
  202    HZ   PHE  24           HZ       PHE  24  -9.326 -16.166   0.246
  203    H    GLU  25           H        GLU  25 -15.181 -18.197   4.641
  204    HA   GLU  25           HA       GLU  25 -18.055 -18.948   4.354
  205   1HB   GLU  25          1HB       GLU  25 -15.876 -19.613   6.090
  206   2HB   GLU  25          2HB       GLU  25 -17.112 -18.816   7.065
  207   1HG   GLU  25          1HG       GLU  25 -18.808 -20.368   5.991
  208   2HG   GLU  25          2HG       GLU  25 -17.450 -21.252   5.296
  209    H    LYS  26           H        LYS  26 -18.897 -17.902   6.859
  210    HA   LYS  26           HA       LYS  26 -19.061 -15.011   6.170
  211   1HB   LYS  26          1HB       LYS  26 -21.020 -16.672   6.616
  212   2HB   LYS  26          2HB       LYS  26 -20.584 -16.500   8.311
  213   1HG   LYS  26          1HG       LYS  26 -20.871 -14.061   8.157
  214   2HG   LYS  26          2HG       LYS  26 -21.275 -14.213   6.448
  215   1HD   LYS  26          1HD       LYS  26 -23.269 -15.481   6.961
  216   2HD   LYS  26          2HD       LYS  26 -22.823 -15.582   8.665
  217   1HE   LYS  26          1HE       LYS  26 -22.773 -12.871   8.287
  218   2HE   LYS  26          2HE       LYS  26 -24.075 -13.347   7.181
  219   1HZ   LYS  26          1HZ       LYS  26 -24.914 -14.785   9.040
  220   2HZ   LYS  26          2HZ       LYS  26 -25.047 -13.115   9.322
  221   3HZ   LYS  26          3HZ       LYS  26 -23.807 -14.006  10.066
  222    H    GLY  27           H        GLY  27 -16.990 -14.331   7.033
  223   1HA   GLY  27          1HA       GLY  27 -16.442 -13.037   9.153
  224   2HA   GLY  27          2HA       GLY  27 -16.793 -14.537  10.013
  225    H    GLU  28           H        GLU  28 -14.887 -13.793   7.069
  226    HA   GLU  28           HA       GLU  28 -12.558 -15.147   8.392
  227   1HB   GLU  28          1HB       GLU  28 -14.057 -15.685   5.932
  228   2HB   GLU  28          2HB       GLU  28 -12.327 -15.516   5.631
  229   1HG   GLU  28          1HG       GLU  28 -13.073 -17.132   8.006
  230   2HG   GLU  28          2HG       GLU  28 -13.476 -17.839   6.441
  231    H    LEU  29           H        LEU  29 -10.650 -13.998   8.276
  232    HA   LEU  29           HA       LEU  29 -10.668 -11.294   7.197
  233   1HB   LEU  29          1HB       LEU  29  -9.465 -12.373   9.262
  234   2HB   LEU  29          2HB       LEU  29  -8.250 -12.874   8.088
  235    HG   LEU  29           HG       LEU  29  -7.672 -10.705   9.146
  236   1HD1  LEU  29          1HD1      LEU  29  -7.379 -11.372   6.567
  237   2HD1  LEU  29          2HD1      LEU  29  -6.860  -9.804   7.188
  238   3HD1  LEU  29          3HD1      LEU  29  -8.407  -9.955   6.354
  239   1HD2  LEU  29          1HD2      LEU  29  -9.222  -9.102   9.456
  240   2HD2  LEU  29          2HD2      LEU  29 -10.428 -10.209   8.800
  241   3HD2  LEU  29          3HD2      LEU  29  -9.598  -9.077   7.733
  242    H    VAL  30           H        VAL  30 -10.679 -11.181   4.955
  243    HA   VAL  30           HA       VAL  30  -9.375 -13.064   3.210
  244    HB   VAL  30           HB       VAL  30 -10.331 -10.197   2.869
  245   1HG1  VAL  30          1HG1      VAL  30  -8.840 -11.895   1.087
  246   2HG1  VAL  30          2HG1      VAL  30  -9.452 -10.267   0.798
  247   3HG1  VAL  30          3HG1      VAL  30 -10.466 -11.666   0.443
  248   1HG2  VAL  30          1HG2      VAL  30 -11.872 -12.313   1.600
  249   2HG2  VAL  30          2HG2      VAL  30 -12.409 -11.063   2.722
  250   3HG2  VAL  30          3HG2      VAL  30 -11.738 -12.573   3.339
  251    H    GLU  31           H        GLU  31  -8.466  -9.778   4.306
  252    HA   GLU  31           HA       GLU  31  -5.625 -10.430   4.216
  253   1HB   GLU  31          1HB       GLU  31  -6.986  -9.545   1.853
  254   2HB   GLU  31          2HB       GLU  31  -5.917  -8.244   2.380
  255   1HG   GLU  31          1HG       GLU  31  -4.748 -10.962   2.493
  256   2HG   GLU  31          2HG       GLU  31  -5.092 -10.360   0.872
  257    H    GLU  32           H        GLU  32  -4.357  -8.716   5.159
  258    HA   GLU  32           HA       GLU  32  -5.864  -6.302   6.069
  259   1HB   GLU  32          1HB       GLU  32  -5.016  -6.720   8.358
  260   2HB   GLU  32          2HB       GLU  32  -5.972  -8.090   7.794
  261   1HG   GLU  32          1HG       GLU  32  -3.680  -9.027   6.958
  262   2HG   GLU  32          2HG       GLU  32  -2.983  -7.866   8.088
  263    H    CYS  33           H        CYS  33  -4.567  -4.459   6.194
  264    HA   CYS  33           HA       CYS  33  -1.612  -4.767   5.993
  265   1HB   CYS  33          1HB       CYS  33  -3.490  -4.024   3.882
  266   2HB   CYS  33          2HB       CYS  33  -2.294  -2.757   4.156
  267    HG   CYS  33           HG       CYS  33  -0.720  -5.226   4.055
  268    H    LEU  34           H        LEU  34  -0.743  -2.288   5.840
  269    HA   LEU  34           HA       LEU  34  -1.925  -0.938   8.204
  270   1HB   LEU  34          1HB       LEU  34   0.671  -1.264   6.910
  271   2HB   LEU  34          2HB       LEU  34   0.357   0.411   7.304
  272    HG   LEU  34           HG       LEU  34  -0.436  -0.561   9.607
  273   1HD1  LEU  34          1HD1      LEU  34  -0.292  -2.834   9.460
  274   2HD1  LEU  34          2HD1      LEU  34   1.387  -2.528   9.910
  275   3HD1  LEU  34          3HD1      LEU  34   0.956  -2.764   8.216
  276   1HD2  LEU  34          1HD2      LEU  34   2.280   0.063   8.549
  277   2HD2  LEU  34          2HD2      LEU  34   2.203  -0.684  10.145
  278   3HD2  LEU  34          3HD2      LEU  34   1.374   0.843   9.846
  279    H    CYS  35           H        CYS  35  -1.605   1.642   7.928
  280    HA   CYS  35           HA       CYS  35  -2.476   2.541   5.230
  281   1HB   CYS  35          1HB       CYS  35  -4.472   3.628   6.288
  282   2HB   CYS  35          2HB       CYS  35  -4.515   1.874   6.443
  283    HG   CYS  35           HG       CYS  35  -4.495   3.777   8.746
  284    H    ILE  36           H        ILE  36  -2.796   5.046   5.342
  285    HA   ILE  36           HA       ILE  36  -0.550   6.167   6.985
  286    HB   ILE  36           HB       ILE  36  -1.977   7.248   4.525
  287   1HG1  ILE  36          1HG1      ILE  36   0.653   5.756   4.772
  288   2HG1  ILE  36          2HG1      ILE  36  -0.823   5.128   4.039
  289   1HG2  ILE  36          1HG2      ILE  36   0.633   8.252   4.712
  290   2HG2  ILE  36          2HG2      ILE  36   0.007   8.323   6.359
  291   3HG2  ILE  36          3HG2      ILE  36  -0.856   9.133   5.051
  292   1HD1  ILE  36          1HD1      ILE  36   0.924   6.098   2.429
  293   2HD1  ILE  36          2HD1      ILE  36   0.484   7.679   3.076
  294   3HD1  ILE  36          3HD1      ILE  36  -0.725   6.697   2.250
  295    H    VAL  37           H        VAL  37  -1.591   6.776   8.920
  296    HA   VAL  37           HA       VAL  37  -4.201   8.119   8.850
  297    HB   VAL  37           HB       VAL  37  -2.218   7.688  11.118
  298   1HG1  VAL  37          1HG1      VAL  37  -5.233   8.045  11.137
  299   2HG1  VAL  37          2HG1      VAL  37  -4.066   9.302  11.555
  300   3HG1  VAL  37          3HG1      VAL  37  -4.191   7.850  12.550
  301   1HG2  VAL  37          1HG2      VAL  37  -2.934   5.599   9.802
  302   2HG2  VAL  37          2HG2      VAL  37  -4.559   5.910  10.412
  303   3HG2  VAL  37          3HG2      VAL  37  -3.242   5.579  11.539
  304    H    ARG  38           H        ARG  38  -3.792  10.108   7.736
  305    HA   ARG  38           HA       ARG  38  -1.949  12.010   9.144
  306   1HB   ARG  38          1HB       ARG  38  -1.352  11.373   6.815
  307   2HB   ARG  38          2HB       ARG  38  -2.934  11.926   6.267
  308   1HG   ARG  38          1HG       ARG  38  -1.501  13.762   5.840
  309   2HG   ARG  38          2HG       ARG  38  -2.305  14.187   7.350
  310   1HD   ARG  38          1HD       ARG  38  -0.385  13.811   8.630
  311   2HD   ARG  38          2HD       ARG  38   0.298  12.676   7.450
  312    HE   ARG  38           HE       ARG  38   0.036  15.148   6.119
  313   1HH1  ARG  38          1HH1      ARG  38   1.747  13.851   8.859
  314   2HH1  ARG  38          2HH1      ARG  38   3.070  14.951   8.693
  315   1HH2  ARG  38          1HH2      ARG  38   1.764  16.566   5.924
  316   2HH2  ARG  38          2HH2      ARG  38   3.082  16.478   7.044
  317    H    HIS  39           H        HIS  39  -2.735  14.205   9.392
  318    HA   HIS  39           HA       HIS  39  -5.470  14.476  10.148
  319   1HB   HIS  39          1HB       HIS  39  -3.066  16.176   9.728
  320   2HB   HIS  39          2HB       HIS  39  -4.611  17.028   9.707
  321    HD1  HIS  39           HD1      HIS  39  -3.327  17.942  12.054
  322    HD2  HIS  39           HD2      HIS  39  -5.033  14.138  12.087
  323    HE1  HIS  39           HE1      HIS  39  -3.649  17.323  14.489
  324    H    ASN  40           H        ASN  40  -6.460  16.769   9.002
  325    HA   ASN  40           HA       ASN  40  -6.930  15.919   6.168
  326   1HB   ASN  40          1HB       ASN  40  -8.556  16.938   8.425
  327   2HB   ASN  40          2HB       ASN  40  -8.975  17.609   6.849
  328   1HD2  ASN  40          1HD2      ASN  40  -9.793  15.117   8.874
  329   2HD2  ASN  40          2HD2      ASN  40 -10.291  13.966   7.730
  330    H    ASP  41           H        ASP  41  -5.816  17.198   4.768
  331    HA   ASP  41           HA       ASP  41  -6.186  20.052   4.637
  332   1HB   ASP  41          1HB       ASP  41  -4.579  19.452   6.671
  333   2HB   ASP  41          2HB       ASP  41  -3.373  19.293   5.395
  334    H    ASP  42           H        ASP  42  -3.231  20.207   3.591
  335    HA   ASP  42           HA       ASP  42  -3.654  19.790   0.845
  336   1HB   ASP  42          1HB       ASP  42  -1.236  19.701   2.662
  337   2HB   ASP  42          2HB       ASP  42  -1.063  19.504   0.918
  338    H    TRP  43           H        TRP  43  -2.952  17.485   3.370
  339    HA   TRP  43           HA       TRP  43  -2.015  15.256   1.879
  340   1HB   TRP  43          1HB       TRP  43  -1.914  15.157   4.237
  341   2HB   TRP  43          2HB       TRP  43  -3.557  15.757   4.427
  342    HD1  TRP  43           HD1      TRP  43  -5.302  14.020   5.002
  343    HE1  TRP  43           HE1      TRP  43  -5.473  11.452   4.849
  344    HE3  TRP  43           HE3      TRP  43  -0.921  12.977   2.586
  345    HZ2  TRP  43           HZ2      TRP  43  -3.958   9.253   3.840
  346    HZ3  TRP  43           HZ3      TRP  43  -0.312  10.638   2.043
  347    HH2  TRP  43           HH2      TRP  43  -1.824   8.774   2.666
  348    H    GLY  44           H        GLY  44  -5.387  15.977   2.898
  349   1HA   GLY  44          1HA       GLY  44  -6.620  13.918   1.390
  350   2HA   GLY  44          2HA       GLY  44  -7.429  15.401   1.897
  351    H    THR  45           H        THR  45  -5.712  17.224   0.477
  352    HA   THR  45           HA       THR  45  -7.002  17.291  -2.073
  353    HB   THR  45           HB       THR  45  -4.355  18.563  -1.308
  354    HG1  THR  45           HG1      THR  45  -5.679  20.192  -0.369
  355   1HG2  THR  45          1HG2      THR  45  -5.899  18.745  -3.597
  356   2HG2  THR  45          2HG2      THR  45  -4.724  19.948  -3.064
  357   3HG2  THR  45          3HG2      THR  45  -6.430  20.140  -2.658
  358    H    ALA  46           H        ALA  46  -3.487  16.831  -1.498
  359    HA   ALA  46           HA       ALA  46  -2.839  15.908  -4.086
  360   1HB   ALA  46          1HB       ALA  46  -0.804  15.139  -3.008
  361   2HB   ALA  46          2HB       ALA  46  -1.622  15.007  -1.451
  362   3HB   ALA  46          3HB       ALA  46  -1.327  16.595  -2.160
  363    H    LEU  47           H        LEU  47  -3.693  13.988  -1.184
  364    HA   LEU  47           HA       LEU  47  -3.785  11.513  -2.804
  365   1HB   LEU  47          1HB       LEU  47  -3.972  12.298   0.103
  366   2HB   LEU  47          2HB       LEU  47  -4.482  10.687  -0.399
  367    HG   LEU  47           HG       LEU  47  -2.119  10.674   0.290
  368   1HD1  LEU  47          1HD1      LEU  47  -2.030  10.462  -2.700
  369   2HD1  LEU  47          2HD1      LEU  47  -3.100   9.390  -1.796
  370   3HD1  LEU  47          3HD1      LEU  47  -1.365   9.372  -1.483
  371   1HD2  LEU  47          1HD2      LEU  47  -0.462  12.007  -0.815
  372   2HD2  LEU  47          2HD2      LEU  47  -1.769  13.104  -0.369
  373   3HD2  LEU  47          3HD2      LEU  47  -1.617  12.544  -2.034
  374    H    GLU  48           H        GLU  48  -5.765  13.491  -3.532
  375    HA   GLU  48           HA       GLU  48  -8.295  13.009  -2.233
  376   1HB   GLU  48          1HB       GLU  48  -9.146  14.122  -4.328
  377   2HB   GLU  48          2HB       GLU  48  -7.822  15.001  -3.565
  378   1HG   GLU  48          1HG       GLU  48  -6.758  14.913  -5.553
  379   2HG   GLU  48          2HG       GLU  48  -6.560  13.184  -5.278
  380    H    ASP  49           H        ASP  49  -7.627  10.487  -2.354
  381    HA   ASP  49           HA       ASP  49  -9.568   9.173  -3.993
  382   1HB   ASP  49          1HB       ASP  49  -7.022   9.848  -5.212
  383   2HB   ASP  49          2HB       ASP  49  -7.227   8.097  -5.162
  384    H    TYR  50           H        TYR  50  -9.846   7.089  -3.186
  385    HA   TYR  50           HA       TYR  50  -9.506   5.222  -1.779
  386   1HB   TYR  50          1HB       TYR  50  -6.586   5.878  -2.324
  387   2HB   TYR  50          2HB       TYR  50  -7.254   4.300  -1.913
  388    HD1  TYR  50           HD1      TYR  50  -5.722   5.592  -4.500
  389    HD2  TYR  50           HD2      TYR  50  -9.703   4.253  -3.599
  390    HE1  TYR  50           HE1      TYR  50  -6.114   5.139  -6.906
  391    HE2  TYR  50           HE2      TYR  50 -10.095   3.801  -6.006
  392    HH   TYR  50           HH       TYR  50  -7.849   3.404  -8.189
  393    H    LEU  51           H        LEU  51  -9.628   7.920  -0.544
  394    HA   LEU  51           HA       LEU  51  -7.783   7.578   1.781
  395   1HB   LEU  51          1HB       LEU  51  -9.183   9.827   0.392
  396   2HB   LEU  51          2HB       LEU  51  -8.969   9.995   2.131
  397    HG   LEU  51           HG       LEU  51  -6.796   9.596   0.054
  398   1HD1  LEU  51          1HD1      LEU  51  -7.815  11.892   0.425
  399   2HD1  LEU  51          2HD1      LEU  51  -6.080  11.794   0.728
  400   3HD1  LEU  51          3HD1      LEU  51  -7.212  11.810   2.080
  401   1HD2  LEU  51          1HD2      LEU  51  -5.989   8.344   1.880
  402   2HD2  LEU  51          2HD2      LEU  51  -6.743   9.412   3.064
  403   3HD2  LEU  51          3HD2      LEU  51  -5.317   9.950   2.169
  404    H    PHE  52           H        PHE  52  -8.875   6.155   3.170
  405    HA   PHE  52           HA       PHE  52 -11.761   6.549   3.720
  406   1HB   PHE  52          1HB       PHE  52  -9.602   4.617   4.635
  407   2HB   PHE  52          2HB       PHE  52 -11.250   4.564   5.262
  408    HD1  PHE  52           HD1      PHE  52 -13.131   4.679   3.340
  409    HD2  PHE  52           HD2      PHE  52  -9.108   3.270   2.806
  410    HE1  PHE  52           HE1      PHE  52 -13.845   3.394   1.343
  411    HE2  PHE  52           HE2      PHE  52  -9.823   1.985   0.809
  412    HZ   PHE  52           HZ       PHE  52 -12.191   2.047   0.077
  413    H    SER  53           H        SER  53 -12.007   8.428   4.956
  414    HA   SER  53           HA       SER  53 -10.112   8.880   7.211
  415   1HB   SER  53          1HB       SER  53 -10.356  10.726   5.705
  416   2HB   SER  53          2HB       SER  53 -12.110  10.553   5.669
  417    HG   SER  53           HG       SER  53 -11.602  12.231   7.037
  418    H    ARG  54           H        ARG  54 -10.939   9.445   9.307
  419    HA   ARG  54           HA       ARG  54 -13.702   8.413   9.855
  420   1HB   ARG  54          1HB       ARG  54 -11.041   8.232  11.263
  421   2HB   ARG  54          2HB       ARG  54 -12.528   8.103  12.202
  422   1HG   ARG  54          1HG       ARG  54 -13.268   6.318  10.532
  423   2HG   ARG  54          2HG       ARG  54 -11.612   6.330   9.927
  424   1HD   ARG  54          1HD       ARG  54 -11.175   4.806  11.569
  425   2HD   ARG  54          2HD       ARG  54 -11.307   6.165  12.702
  426    HE   ARG  54           HE       ARG  54 -13.893   5.044  11.905
  427   1HH1  ARG  54          1HH1      ARG  54 -11.220   4.849  14.128
  428   2HH1  ARG  54          2HH1      ARG  54 -12.159   4.084  15.361
  429   1HH2  ARG  54          1HH2      ARG  54 -15.090   4.049  13.523
  430   2HH2  ARG  54          2HH2      ARG  54 -14.333   3.633  15.024
  431    H    LYS  55           H        LYS  55 -14.277   9.401  12.247
  432    HA   LYS  55           HA       LYS  55 -14.420  12.285  11.837
  433   1HB   LYS  55          1HB       LYS  55 -16.059  10.467  12.907
  434   2HB   LYS  55          2HB       LYS  55 -15.192  10.887  14.385
  435   1HG   LYS  55          1HG       LYS  55 -16.164  12.937  14.510
  436   2HG   LYS  55          2HG       LYS  55 -16.011  13.214  12.775
  437   1HD   LYS  55          1HD       LYS  55 -18.103  12.428  12.347
  438   2HD   LYS  55          2HD       LYS  55 -17.942  11.106  13.503
  439   1HE   LYS  55          1HE       LYS  55 -18.129  12.977  15.319
  440   2HE   LYS  55          2HE       LYS  55 -18.812  13.951  14.003
  441   1HZ   LYS  55          1HZ       LYS  55 -19.705  11.185  14.614
  442   2HZ   LYS  55          2HZ       LYS  55 -20.456  12.314  13.592
  443   3HZ   LYS  55          3HZ       LYS  55 -20.459  12.557  15.273
  444    H    ASN  56           H        ASN  56 -11.969  12.466  11.930
  445    HA   ASN  56           HA       ASN  56 -10.603  12.106  14.464
  446   1HB   ASN  56          1HB       ASN  56 -12.055  14.006  15.025
  447   2HB   ASN  56          2HB       ASN  56 -10.396  14.582  14.876
  448   1HD2  ASN  56          1HD2      ASN  56 -13.332  15.689  14.196
  449   2HD2  ASN  56          2HD2      ASN  56 -13.074  16.445  12.698
  450    H    MET  57           H        MET  57 -10.364  11.687  11.466
  451    HA   MET  57           HA       MET  57  -8.349  13.505  10.466
  452   1HB   MET  57          1HB       MET  57  -6.436  12.037  10.839
  453   2HB   MET  57          2HB       MET  57  -7.173  12.449  12.377
  454   1HG   MET  57          1HG       MET  57  -8.551  10.172  11.545
  455   2HG   MET  57          2HG       MET  57  -6.880   9.855  11.096
  456   1HE   MET  57          1HE       MET  57  -4.841  10.354  14.142
  457   2HE   MET  57          2HE       MET  57  -5.651  11.908  13.945
  458   3HE   MET  57          3HE       MET  57  -5.126  11.001  12.526
  459    H    SER  58           H        SER  58  -6.966  12.097   8.711
  460    HA   SER  58           HA       SER  58  -8.989  10.459   7.221
  461   1HB   SER  58          1HB       SER  58  -7.455  11.341   5.260
  462   2HB   SER  58          2HB       SER  58  -8.646  12.425   5.978
  463    HG   SER  58           HG       SER  58  -5.935  12.224   6.781
  464    H    ALA  59           H        ALA  59  -8.223   8.531   6.231
  465    HA   ALA  59           HA       ALA  59  -5.384   7.788   6.826
  466   1HB   ALA  59          1HB       ALA  59  -6.212   5.597   7.540
  467   2HB   ALA  59          2HB       ALA  59  -7.858   6.045   7.091
  468   3HB   ALA  59          3HB       ALA  59  -7.063   6.850   8.443
  469    H    MET  60           H        MET  60  -4.334   6.886   5.067
  470    HA   MET  60           HA       MET  60  -5.865   6.528   2.560
  471   1HB   MET  60          1HB       MET  60  -3.384   7.512   3.215
  472   2HB   MET  60          2HB       MET  60  -2.975   5.878   2.702
  473   1HG   MET  60          1HG       MET  60  -4.913   7.019   0.888
  474   2HG   MET  60          2HG       MET  60  -3.535   8.108   1.049
  475   1HE   MET  60          1HE       MET  60  -3.945   7.605  -1.328
  476   2HE   MET  60          2HE       MET  60  -3.318   6.233  -2.240
  477   3HE   MET  60          3HE       MET  60  -2.216   7.480  -1.656
  478    H    ALA  61           H        ALA  61  -5.827   4.509   1.371
  479    HA   ALA  61           HA       ALA  61  -5.798   2.138   3.109
  480   1HB   ALA  61          1HB       ALA  61  -6.190   1.422   0.410
  481   2HB   ALA  61          2HB       ALA  61  -6.875   3.040   0.555
  482   3HB   ALA  61          3HB       ALA  61  -7.452   1.742   1.600
  483    H    LEU  62           H        LEU  62  -3.566   1.803   3.601
  484    HA   LEU  62           HA       LEU  62  -1.419   0.898   3.239
  485   1HB   LEU  62          1HB       LEU  62  -1.132   1.944   0.533
  486   2HB   LEU  62          2HB       LEU  62  -1.901   3.130   1.583
  487    HG   LEU  62           HG       LEU  62   0.763   1.751   2.033
  488   1HD1  LEU  62          1HD1      LEU  62   0.862   3.625   0.474
  489   2HD1  LEU  62          2HD1      LEU  62   1.573   4.122   2.007
  490   3HD1  LEU  62          3HD1      LEU  62  -0.060   4.637   1.583
  491   1HD2  LEU  62          1HD2      LEU  62  -1.090   3.106   3.901
  492   2HD2  LEU  62          2HD2      LEU  62   0.582   3.663   3.971
  493   3HD2  LEU  62          3HD2      LEU  62   0.209   1.960   4.237
  494    H    GLY  63           H        GLY  63  -2.791  -1.200   2.988
  495   1HA   GLY  63          1HA       GLY  63  -1.684  -2.745   0.860
  496   2HA   GLY  63          2HA       GLY  63  -2.981  -3.280   1.927
  497    H    PHE  64           H        PHE  64  -4.140  -4.248   0.193
  498    HA   PHE  64           HA       PHE  64  -4.879  -2.768  -2.200
  499   1HB   PHE  64          1HB       PHE  64  -5.587  -5.382  -0.869
  500   2HB   PHE  64          2HB       PHE  64  -6.476  -4.848  -2.296
  501    HD1  PHE  64           HD1      PHE  64  -5.473  -4.881  -4.479
  502    HD2  PHE  64           HD2      PHE  64  -3.112  -5.724  -0.991
  503    HE1  PHE  64           HE1      PHE  64  -3.618  -5.667  -5.925
  504    HE2  PHE  64           HE2      PHE  64  -1.257  -6.510  -2.437
  505    HZ   PHE  64           HZ       PHE  64  -1.510  -6.482  -4.904
  506    H    GLY  65           H        GLY  65  -5.645  -1.004  -0.335
  507   1HA   GLY  65          1HA       GLY  65  -8.466  -1.488   0.410
  508   2HA   GLY  65          2HA       GLY  65  -7.495  -0.098   0.895
  509    H    ALA  66           H        ALA  66  -6.586   0.202  -1.989
  510    HA   ALA  66           HA       ALA  66  -8.777   1.973  -2.814
  511   1HB   ALA  66          1HB       ALA  66  -6.142   1.230  -4.142
  512   2HB   ALA  66          2HB       ALA  66  -6.331   2.512  -2.945
  513   3HB   ALA  66          3HB       ALA  66  -7.129   2.644  -4.512
  514    H    ILE  67           H        ILE  67  -7.201  -0.970  -4.085
  515    HA   ILE  67           HA       ILE  67  -8.491  -1.249  -6.547
  516    HB   ILE  67           HB       ILE  67  -8.221  -3.737  -6.053
  517   1HG1  ILE  67          1HG1      ILE  67  -6.652  -3.534  -3.708
  518   2HG1  ILE  67          2HG1      ILE  67  -8.164  -2.699  -3.359
  519   1HG2  ILE  67          1HG2      ILE  67  -6.033  -3.532  -6.583
  520   2HG2  ILE  67          2HG2      ILE  67  -5.677  -2.585  -5.139
  521   3HG2  ILE  67          3HG2      ILE  67  -6.347  -1.796  -6.567
  522   1HD1  ILE  67          1HD1      ILE  67  -7.667  -5.563  -3.838
  523   2HD1  ILE  67          2HD1      ILE  67  -9.065  -4.910  -4.695
  524   3HD1  ILE  67          3HD1      ILE  67  -8.967  -4.781  -2.939
  525    H    PHE  68           H        PHE  68  -9.850  -1.753  -3.329
  526    HA   PHE  68           HA       PHE  68 -12.106  -3.323  -3.941
  527   1HB   PHE  68          1HB       PHE  68 -11.524  -1.097  -1.980
  528   2HB   PHE  68          2HB       PHE  68 -13.082  -1.921  -1.981
  529    HD1  PHE  68           HD1      PHE  68 -10.291  -1.885  -0.148
  530    HD2  PHE  68           HD2      PHE  68 -12.453  -4.679  -2.592
  531    HE1  PHE  68           HE1      PHE  68  -9.304  -3.768   1.130
  532    HE2  PHE  68           HE2      PHE  68 -11.466  -6.561  -1.315
  533    HZ   PHE  68           HZ       PHE  68  -9.892  -6.105   0.546
  534    H    ASN  69           H        ASN  69 -14.103  -2.881  -4.857
  535    HA   ASN  69           HA       ASN  69 -14.516  -0.104  -5.920
  536   1HB   ASN  69          1HB       ASN  69 -15.354  -2.826  -6.994
  537   2HB   ASN  69          2HB       ASN  69 -15.691  -1.281  -7.777
  538   1HD2  ASN  69          1HD2      ASN  69 -14.081  -3.342  -9.031
  539   2HD2  ASN  69          2HD2      ASN  69 -12.497  -2.742  -9.174
  540    H    HIS  70           H        HIS  70 -17.071   0.002  -6.536
  541    HA   HIS  70           HA       HIS  70 -18.486  -0.581  -3.975
  542   1HB   HIS  70          1HB       HIS  70 -18.260   1.737  -5.104
  543   2HB   HIS  70          2HB       HIS  70 -19.413   1.132  -6.295
  544    HD1  HIS  70           HD1      HIS  70 -19.118   2.083  -2.669
  545    HD2  HIS  70           HD2      HIS  70 -22.064   0.790  -5.320
  546    HE1  HIS  70           HE1      HIS  70 -21.334   2.386  -1.481
  547    H    SER  71           H        SER  71 -19.932  -2.241  -3.945
  548    HA   SER  71           HA       SER  71 -21.197  -3.074  -6.533
  549   1HB   SER  71          1HB       SER  71 -19.425  -4.630  -5.957
  550   2HB   SER  71          2HB       SER  71 -19.978  -4.719  -4.286
  551    HG   SER  71           HG       SER  71 -20.812  -6.107  -6.440
  552    H    LYS  72           H        LYS  72 -23.403  -3.552  -6.374
  553    HA   LYS  72           HA       LYS  72 -25.013  -2.452  -4.365
  554   1HB   LYS  72          1HB       LYS  72 -25.302  -4.648  -6.403
  555   2HB   LYS  72          2HB       LYS  72 -26.632  -4.334  -5.288
  556   1HG   LYS  72          1HG       LYS  72 -25.439  -1.939  -6.566
  557   2HG   LYS  72          2HG       LYS  72 -26.322  -3.020  -7.645
  558   1HD   LYS  72          1HD       LYS  72 -28.311  -2.863  -6.289
  559   2HD   LYS  72          2HD       LYS  72 -27.443  -1.995  -5.022
  560   1HE   LYS  72          1HE       LYS  72 -27.202  -0.043  -6.395
  561   2HE   LYS  72          2HE       LYS  72 -27.708  -0.923  -7.850
  562   1HZ   LYS  72          1HZ       LYS  72 -29.516   0.401  -6.779
  563   2HZ   LYS  72          2HZ       LYS  72 -29.398  -0.613  -5.422
  564   3HZ   LYS  72          3HZ       LYS  72 -29.868  -1.254  -6.923
  565    H    ASP  73           H        ASP  73 -23.488  -5.640  -4.466
  566    HA   ASP  73           HA       ASP  73 -24.590  -6.180  -1.727
  567   1HB   ASP  73          1HB       ASP  73 -24.368  -7.736  -4.226
  568   2HB   ASP  73          2HB       ASP  73 -23.812  -8.608  -2.797
  569    HA   PRO  74           HA       PRO  74 -20.023  -5.598  -1.330
  570   1HB   PRO  74          1HB       PRO  74 -20.289  -5.144   1.431
  571   2HB   PRO  74          2HB       PRO  74 -20.192  -3.886   0.188
  572   1HG   PRO  74          1HG       PRO  74 -22.559  -4.988   1.592
  573   2HG   PRO  74          2HG       PRO  74 -22.260  -3.351   0.995
  574   1HD   PRO  74          1HD       PRO  74 -23.916  -5.089  -0.256
  575   2HD   PRO  74          2HD       PRO  74 -22.981  -3.858  -1.130
  576    H    ASN  75           H        ASN  75 -19.312  -7.723  -1.495
  577    HA   ASN  75           HA       ASN  75 -20.280  -9.838   0.269
  578   1HB   ASN  75          1HB       ASN  75 -17.925  -9.699  -1.651
  579   2HB   ASN  75          2HB       ASN  75 -18.663 -11.174  -1.027
  580   1HD2  ASN  75          1HD2      ASN  75 -18.675  -9.150  -3.698
  581   2HD2  ASN  75          2HD2      ASN  75 -20.217  -9.515  -4.306
  582    H    ALA  76           H        ALA  76 -17.757  -7.468   0.443
  583    HA   ALA  76           HA       ALA  76 -16.723  -8.802   2.909
  584   1HB   ALA  76          1HB       ALA  76 -15.455  -8.707   0.388
  585   2HB   ALA  76          2HB       ALA  76 -14.711  -9.164   1.920
  586   3HB   ALA  76          3HB       ALA  76 -14.633  -7.491   1.367
  587    H    ARG  77           H        ARG  77 -15.380  -7.220   4.216
  588    HA   ARG  77           HA       ARG  77 -16.145  -4.369   3.711
  589   1HB   ARG  77          1HB       ARG  77 -17.386  -6.000   5.516
  590   2HB   ARG  77          2HB       ARG  77 -16.084  -5.354   6.515
  591   1HG   ARG  77          1HG       ARG  77 -16.869  -3.063   5.368
  592   2HG   ARG  77          2HG       ARG  77 -18.394  -3.941   5.258
  593   1HD   ARG  77          1HD       ARG  77 -18.699  -3.951   7.544
  594   2HD   ARG  77          2HD       ARG  77 -16.961  -4.071   7.875
  595    HE   ARG  77           HE       ARG  77 -16.860  -1.707   7.832
  596   1HH1  ARG  77          1HH1      ARG  77 -19.753  -2.845   6.267
  597   2HH1  ARG  77          2HH1      ARG  77 -20.390  -1.253   6.044
  598   1HH2  ARG  77          1HH2      ARG  77 -17.708   0.350   7.530
  599   2HH2  ARG  77          2HH2      ARG  77 -19.243   0.543   6.752
  600    H    HIS  78           H        HIS  78 -14.919  -3.289   5.983
  601    HA   HIS  78           HA       HIS  78 -12.106  -4.285   5.936
  602   1HB   HIS  78          1HB       HIS  78 -11.371  -1.948   5.455
  603   2HB   HIS  78          2HB       HIS  78 -12.368  -2.600   4.155
  604    HD1  HIS  78           HD1      HIS  78 -14.896  -1.785   4.077
  605    HD2  HIS  78           HD2      HIS  78 -12.468   0.283   6.761
  606    HE1  HIS  78           HE1      HIS  78 -16.157   0.318   4.709
  607    H    GLU  79           H        GLU  79 -10.798  -3.245   7.693
  608    HA   GLU  79           HA       GLU  79 -12.385  -1.956   9.861
  609   1HB   GLU  79          1HB       GLU  79 -12.428  -4.477  10.075
  610   2HB   GLU  79          2HB       GLU  79 -10.678  -4.445  10.211
  611   1HG   GLU  79          1HG       GLU  79 -10.851  -3.007  12.206
  612   2HG   GLU  79          2HG       GLU  79 -12.609  -3.021  12.065
  613    H    LEU  80           H        LEU  80 -11.154  -0.117  10.181
  614    HA   LEU  80           HA       LEU  80  -8.212  -0.229   9.872
  615   1HB   LEU  80          1HB       LEU  80 -10.113   2.035  10.584
  616   2HB   LEU  80          2HB       LEU  80  -8.438   2.212  10.065
  617    HG   LEU  80           HG       LEU  80  -9.616   0.617   8.091
  618   1HD1  LEU  80          1HD1      LEU  80 -11.854   1.068   8.678
  619   2HD1  LEU  80          2HD1      LEU  80 -11.513   2.270   7.433
  620   3HD1  LEU  80          3HD1      LEU  80 -11.493   2.734   9.135
  621   1HD2  LEU  80          1HD2      LEU  80  -7.963   2.659   8.086
  622   2HD2  LEU  80          2HD2      LEU  80  -9.429   3.608   7.840
  623   3HD2  LEU  80          3HD2      LEU  80  -8.976   2.365   6.673
  624    H    THR  81           H        THR  81  -8.595  -1.811  11.957
  625    HA   THR  81           HA       THR  81  -8.384  -2.124  14.294
  626    HB   THR  81           HB       THR  81  -6.611  -0.148  15.012
  627    HG1  THR  81           HG1      THR  81  -5.427   0.359  13.199
  628   1HG2  THR  81          1HG2      THR  81  -6.273  -2.607  15.067
  629   2HG2  THR  81          2HG2      THR  81  -4.876  -1.765  14.398
  630   3HG2  THR  81          3HG2      THR  81  -6.004  -2.594  13.325
  631    H    ALA  82           H        ALA  82 -10.568  -0.231  13.454
  632    HA   ALA  82           HA       ALA  82 -12.047   1.306  14.468
  633   1HB   ALA  82          1HB       ALA  82 -11.872   0.991  17.084
  634   2HB   ALA  82          2HB       ALA  82 -10.717  -0.274  16.663
  635   3HB   ALA  82          3HB       ALA  82 -12.380  -0.370  16.084
  636    H    GLY  83           H        GLY  83  -9.124   2.153  13.951
  637   1HA   GLY  83          1HA       GLY  83  -9.351   4.763  15.198
  638   2HA   GLY  83          2HA       GLY  83  -8.076   3.797  15.938
  639    H    LEU  84           H        LEU  84  -8.875   3.456  12.535
  640    HA   LEU  84           HA       LEU  84  -7.530   3.826  10.621
  641   1HB   LEU  84          1HB       LEU  84  -7.021   6.264  12.360
  642   2HB   LEU  84          2HB       LEU  84  -6.517   6.154  10.675
  643    HG   LEU  84           HG       LEU  84  -9.363   5.941  11.702
  644   1HD1  LEU  84          1HD1      LEU  84  -7.665   8.127  10.670
  645   2HD1  LEU  84          2HD1      LEU  84  -9.130   8.207  11.652
  646   3HD1  LEU  84          3HD1      LEU  84  -9.252   8.006   9.903
  647   1HD2  LEU  84          1HD2      LEU  84  -9.714   4.788   9.786
  648   2HD2  LEU  84          2HD2      LEU  84  -8.086   5.131   9.199
  649   3HD2  LEU  84          3HD2      LEU  84  -9.381   6.300   8.940
  650    H    LYS  85           H        LYS  85  -5.939   2.160  10.831
  651    HA   LYS  85           HA       LYS  85  -3.226   2.975  11.162
  652   1HB   LYS  85          1HB       LYS  85  -4.743   2.166  13.536
  653   2HB   LYS  85          2HB       LYS  85  -3.279   1.205  13.316
  654   1HG   LYS  85          1HG       LYS  85  -2.942   4.085  12.814
  655   2HG   LYS  85          2HG       LYS  85  -3.342   3.691  14.484
  656   1HD   LYS  85          1HD       LYS  85  -1.278   2.847  14.853
  657   2HD   LYS  85          2HD       LYS  85  -1.356   1.860  13.393
  658   1HE   LYS  85          1HE       LYS  85  -1.087   4.441  12.389
  659   2HE   LYS  85          2HE       LYS  85  -0.019   4.434  13.811
  660   1HZ   LYS  85          1HZ       LYS  85   0.733   2.174  12.988
  661   2HZ   LYS  85          2HZ       LYS  85   1.254   3.508  12.074
  662   3HZ   LYS  85          3HZ       LYS  85  -0.033   2.549  11.519
  663    H    ARG  86           H        ARG  86  -5.559   0.306  11.261
  664    HA   ARG  86           HA       ARG  86  -3.737  -1.264   9.503
  665   1HB   ARG  86          1HB       ARG  86  -4.447  -1.754  12.312
  666   2HB   ARG  86          2HB       ARG  86  -4.794  -3.136  11.273
  667   1HG   ARG  86          1HG       ARG  86  -2.605  -3.650  11.246
  668   2HG   ARG  86          2HG       ARG  86  -2.260  -2.094  10.490
  669   1HD   ARG  86          1HD       ARG  86  -1.552  -1.159  12.463
  670   2HD   ARG  86          2HD       ARG  86  -2.787  -2.005  13.415
  671    HE   ARG  86           HE       ARG  86  -0.831  -3.839  12.291
  672   1HH1  ARG  86          1HH1      ARG  86  -1.455  -1.604  14.885
  673   2HH1  ARG  86          2HH1      ARG  86  -0.360  -2.387  15.971
  674   1HH2  ARG  86          1HH2      ARG  86   0.585  -4.839  13.718
  675   2HH2  ARG  86          2HH2      ARG  86   0.787  -4.205  15.317
  676    H    MET  87           H        MET  87  -5.156  -1.247   7.742
  677    HA   MET  87           HA       MET  87  -8.039  -1.624   8.084
  678   1HB   MET  87          1HB       MET  87  -6.098  -0.833   6.063
  679   2HB   MET  87          2HB       MET  87  -7.281  -1.954   5.389
  680   1HG   MET  87          1HG       MET  87  -9.091  -0.516   6.413
  681   2HG   MET  87          2HG       MET  87  -7.840   0.658   6.821
  682   1HE   MET  87          1HE       MET  87  -7.783  -1.424   3.156
  683   2HE   MET  87          2HE       MET  87  -9.401  -0.787   2.861
  684   3HE   MET  87          3HE       MET  87  -9.064  -1.690   4.338
  685    H    ARG  88           H        ARG  88  -8.905  -3.631   8.403
  686    HA   ARG  88           HA       ARG  88  -7.476  -6.003   7.252
  687   1HB   ARG  88          1HB       ARG  88  -9.540  -5.840   9.480
  688   2HB   ARG  88          2HB       ARG  88  -8.568  -7.245   9.055
  689   1HG   ARG  88          1HG       ARG  88  -6.780  -6.491  10.220
  690   2HG   ARG  88          2HG       ARG  88  -6.952  -4.853   9.593
  691   1HD   ARG  88          1HD       ARG  88  -7.521  -4.441  11.805
  692   2HD   ARG  88          2HD       ARG  88  -9.124  -4.936  11.220
  693    HE   ARG  88           HE       ARG  88  -8.869  -6.910  12.490
  694   1HH1  ARG  88          1HH1      ARG  88  -5.756  -5.528  11.766
  695   2HH1  ARG  88          2HH1      ARG  88  -4.894  -6.714  12.683
  696   1HH2  ARG  88          1HH2      ARG  88  -7.727  -8.438  13.674
  697   2HH2  ARG  88          2HH2      ARG  88  -5.999  -8.350  13.756
  698    H    ILE  89           H        ILE  89  -8.517  -6.996   5.563
  699    HA   ILE  89           HA       ILE  89 -11.259  -6.150   4.865
  700    HB   ILE  89           HB       ILE  89  -9.209  -7.985   3.568
  701   1HG1  ILE  89          1HG1      ILE  89  -9.966  -5.364   2.398
  702   2HG1  ILE  89          2HG1      ILE  89  -9.035  -5.296   3.894
  703   1HG2  ILE  89          1HG2      ILE  89 -11.595  -6.724   2.218
  704   2HG2  ILE  89          2HG2      ILE  89 -11.717  -8.304   2.992
  705   3HG2  ILE  89          3HG2      ILE  89 -10.595  -8.062   1.653
  706   1HD1  ILE  89          1HD1      ILE  89  -8.163  -7.144   1.692
  707   2HD1  ILE  89          2HD1      ILE  89  -7.194  -6.380   2.954
  708   3HD1  ILE  89          3HD1      ILE  89  -7.777  -5.426   1.590
  709    H    PHE  90           H        PHE  90 -12.950  -7.259   5.736
  710    HA   PHE  90           HA       PHE  90 -12.549 -10.121   6.512
  711   1HB   PHE  90          1HB       PHE  90 -14.212  -7.799   7.444
  712   2HB   PHE  90          2HB       PHE  90 -14.821  -9.429   7.730
  713    HD1  PHE  90           HD1      PHE  90 -13.616 -10.994   9.186
  714    HD2  PHE  90           HD2      PHE  90 -12.189  -6.995   8.536
  715    HE1  PHE  90           HE1      PHE  90 -12.084 -11.225  11.123
  716    HE2  PHE  90           HE2      PHE  90 -10.657  -7.226  10.472
  717    HZ   PHE  90           HZ       PHE  90 -10.605  -9.341  11.766
  718    H    THR  91           H        THR  91 -15.013 -11.133   6.512
  719    HA   THR  91           HA       THR  91 -16.162 -10.599   3.795
  720    HB   THR  91           HB       THR  91 -16.467 -13.143   3.761
  721    HG1  THR  91           HG1      THR  91 -15.334 -14.301   5.244
  722   1HG2  THR  91          1HG2      THR  91 -14.575 -11.772   2.664
  723   2HG2  THR  91          2HG2      THR  91 -14.288 -13.498   2.892
  724   3HG2  THR  91          3HG2      THR  91 -13.568 -12.330   4.000
  725    H    ILE  92           H        ILE  92 -17.953  -9.450   4.724
  726    HA   ILE  92           HA       ILE  92 -19.491 -10.238   6.964
  727    HB   ILE  92           HB       ILE  92 -21.207  -8.787   5.909
  728   1HG1  ILE  92          1HG1      ILE  92 -19.586  -8.253   3.505
  729   2HG1  ILE  92          2HG1      ILE  92 -20.321  -9.855   3.538
  730   1HG2  ILE  92          1HG2      ILE  92 -18.950  -7.213   5.031
  731   2HG2  ILE  92          2HG2      ILE  92 -18.526  -8.100   6.496
  732   3HG2  ILE  92          3HG2      ILE  92 -19.926  -7.027   6.488
  733   1HD1  ILE  92          1HD1      ILE  92 -22.354  -8.190   4.446
  734   2HD1  ILE  92          2HD1      ILE  92 -22.214  -8.851   2.817
  735   3HD1  ILE  92          3HD1      ILE  92 -21.582  -7.243   3.174
  736    H    LYS  93           H        LYS  93 -19.306 -11.657   3.801
  737    HA   LYS  93           HA       LYS  93 -21.358 -13.653   4.602
  738   1HB   LYS  93          1HB       LYS  93 -22.428 -13.345   2.343
  739   2HB   LYS  93          2HB       LYS  93 -22.558 -11.915   3.366
  740   1HG   LYS  93          1HG       LYS  93 -21.358 -10.675   1.912
  741   2HG   LYS  93          2HG       LYS  93 -20.085 -11.893   1.834
  742   1HD   LYS  93          1HD       LYS  93 -21.017 -11.674  -0.384
  743   2HD   LYS  93          2HD       LYS  93 -21.567 -13.215   0.272
  744   1HE   LYS  93          1HE       LYS  93 -23.677 -11.980   1.045
  745   2HE   LYS  93          2HE       LYS  93 -23.140 -10.636   0.019
  746   1HZ   LYS  93          1HZ       LYS  93 -24.469 -12.047  -1.335
  747   2HZ   LYS  93          2HZ       LYS  93 -23.670 -13.445  -0.795
  748   3HZ   LYS  93          3HZ       LYS  93 -22.857 -12.332  -1.787
  749    HA   PRO  94           HA       PRO  94 -18.394 -16.491   2.975
  750   1HB   PRO  94          1HB       PRO  94 -20.686 -17.942   1.845
  751   2HB   PRO  94          2HB       PRO  94 -19.434 -18.525   2.940
  752   1HG   PRO  94          1HG       PRO  94 -21.956 -18.012   3.747
  753   2HG   PRO  94          2HG       PRO  94 -20.550 -17.814   4.799
  754   1HD   PRO  94          1HD       PRO  94 -22.242 -15.762   3.513
  755   2HD   PRO  94          2HD       PRO  94 -21.262 -15.663   4.993
  756    H    ILE  95           H        ILE  95 -17.320 -16.674   0.989
  757    HA   ILE  95           HA       ILE  95 -18.707 -15.418  -1.349
  758    HB   ILE  95           HB       ILE  95 -15.780 -15.749  -0.594
  759   1HG1  ILE  95          1HG1      ILE  95 -17.088 -13.104  -1.000
  760   2HG1  ILE  95          2HG1      ILE  95 -17.526 -13.991   0.460
  761   1HG2  ILE  95          1HG2      ILE  95 -15.972 -13.862  -2.628
  762   2HG2  ILE  95          2HG2      ILE  95 -17.094 -15.128  -3.140
  763   3HG2  ILE  95          3HG2      ILE  95 -15.402 -15.520  -2.816
  764   1HD1  ILE  95          1HD1      ILE  95 -14.641 -13.618  -0.352
  765   2HD1  ILE  95          2HD1      ILE  95 -15.286 -14.041   1.234
  766   3HD1  ILE  95          3HD1      ILE  95 -15.492 -12.406   0.607
  767    H    ALA  96           H        ALA  96 -18.535 -16.433  -3.396
  768    HA   ALA  96           HA       ALA  96 -18.078 -19.365  -3.299
  769   1HB   ALA  96          1HB       ALA  96 -19.423 -17.350  -5.100
  770   2HB   ALA  96          2HB       ALA  96 -20.127 -18.763  -4.309
  771   3HB   ALA  96          3HB       ALA  96 -19.074 -18.970  -5.709
  772    H    ILE  97           H        ILE  97 -16.724 -20.385  -4.956
  773    HA   ILE  97           HA       ILE  97 -14.206 -19.098  -5.394
  774    HB   ILE  97           HB       ILE  97 -15.591 -21.486  -6.666
  775   1HG1  ILE  97          1HG1      ILE  97 -13.340 -21.646  -4.703
  776   2HG1  ILE  97          2HG1      ILE  97 -14.935 -21.214  -4.098
  777   1HG2  ILE  97          1HG2      ILE  97 -12.745 -21.717  -6.684
  778   2HG2  ILE  97          2HG2      ILE  97 -13.163 -20.173  -7.429
  779   3HG2  ILE  97          3HG2      ILE  97 -13.839 -21.672  -8.067
  780   1HD1  ILE  97          1HD1      ILE  97 -14.178 -23.767  -4.326
  781   2HD1  ILE  97          2HD1      ILE  97 -14.741 -23.529  -5.980
  782   3HD1  ILE  97          3HD1      ILE  97 -15.845 -23.275  -4.628
  783    H    GLY  98           H        GLY  98 -14.000 -17.326  -6.703
  784   1HA   GLY  98          1HA       GLY  98 -13.803 -16.476  -8.988
  785   2HA   GLY  98          2HA       GLY  98 -15.190 -17.471  -9.433
  786    H    GLU  99           H        GLU  99 -14.960 -15.438  -6.536
  787    HA   GLU  99           HA       GLU  99 -17.392 -13.991  -7.439
  788   1HB   GLU  99          1HB       GLU  99 -16.481 -15.224  -5.094
  789   2HB   GLU  99          2HB       GLU  99 -16.325 -13.514  -4.760
  790   1HG   GLU  99          1HG       GLU  99 -18.822 -14.957  -5.675
  791   2HG   GLU  99          2HG       GLU  99 -18.550 -14.264  -4.085
  792    H    GLU 100           H        GLU 100 -17.454 -11.639  -7.224
  793    HA   GLU 100           HA       GLU 100 -14.799 -10.361  -7.629
  794   1HB   GLU 100          1HB       GLU 100 -17.097 -10.130  -8.990
  795   2HB   GLU 100          2HB       GLU 100 -17.424  -8.913  -7.758
  796   1HG   GLU 100          1HG       GLU 100 -14.721  -8.617  -8.731
  797   2HG   GLU 100          2HG       GLU 100 -15.846  -8.612 -10.088
  798    H    ILE 101           H        ILE 101 -13.841  -9.632  -5.789
  799    HA   ILE 101           HA       ILE 101 -15.468  -8.979  -3.419
  800    HB   ILE 101           HB       ILE 101 -12.461  -8.828  -3.793
  801   1HG1  ILE 101          1HG1      ILE 101 -14.180 -11.218  -3.061
  802   2HG1  ILE 101          2HG1      ILE 101 -13.220 -11.038  -4.519
  803   1HG2  ILE 101          1HG2      ILE 101 -12.341  -8.710  -1.511
  804   2HG2  ILE 101          2HG2      ILE 101 -13.767  -9.721  -1.285
  805   3HG2  ILE 101          3HG2      ILE 101 -13.952  -8.016  -1.697
  806   1HD1  ILE 101          1HD1      ILE 101 -11.485 -10.524  -2.331
  807   2HD1  ILE 101          2HD1      ILE 101 -11.441 -11.892  -3.443
  808   3HD1  ILE 101          3HD1      ILE 101 -12.376 -11.998  -1.952
  809    H    THR 102           H        THR 102 -16.148  -6.972  -3.030
  810    HA   THR 102           HA       THR 102 -14.477  -4.613  -3.630
  811    HB   THR 102           HB       THR 102 -16.313  -3.597  -4.979
  812    HG1  THR 102           HG1      THR 102 -18.013  -4.800  -4.072
  813   1HG2  THR 102          1HG2      THR 102 -15.655  -6.323  -6.107
  814   2HG2  THR 102          2HG2      THR 102 -14.461  -5.029  -6.008
  815   3HG2  THR 102          3HG2      THR 102 -15.912  -4.818  -6.987
  816    H    ILE 103           H        ILE 103 -14.855  -3.090  -2.005
  817    HA   ILE 103           HA       ILE 103 -17.142  -3.645  -0.162
  818    HB   ILE 103           HB       ILE 103 -15.756  -2.460   1.482
  819   1HG1  ILE 103          1HG1      ILE 103 -13.320  -2.096   0.073
  820   2HG1  ILE 103          2HG1      ILE 103 -14.586  -1.341  -0.896
  821   1HG2  ILE 103          1HG2      ILE 103 -14.167  -4.414  -0.208
  822   2HG2  ILE 103          2HG2      ILE 103 -15.250  -4.826   1.121
  823   3HG2  ILE 103          3HG2      ILE 103 -13.757  -3.944   1.442
  824   1HD1  ILE 103          1HD1      ILE 103 -15.377  -0.356   1.406
  825   2HD1  ILE 103          2HD1      ILE 103 -14.012   0.388   0.571
  826   3HD1  ILE 103          3HD1      ILE 103 -13.728  -0.716   1.917
  827    H    SER 104           H        SER 104 -18.434  -1.852   0.590
  828    HA   SER 104           HA       SER 104 -18.906   0.190  -1.454
  829   1HB   SER 104          1HB       SER 104 -20.210  -1.042   0.830
  830   2HB   SER 104          2HB       SER 104 -20.378   0.712   0.906
  831    HG   SER 104           HG       SER 104 -20.989  -0.933  -1.322
  832    H    TYR 105           H        TYR 105 -19.626   2.396   0.100
  833    HA   TYR 105           HA       TYR 105 -17.023   3.218   1.347
  834   1HB   TYR 105          1HB       TYR 105 -18.896   4.861  -0.400
  835   2HB   TYR 105          2HB       TYR 105 -17.321   5.370   0.205
  836    HD1  TYR 105           HD1      TYR 105 -18.638   4.733  -2.742
  837    HD2  TYR 105           HD2      TYR 105 -15.711   2.914  -0.178
  838    HE1  TYR 105           HE1      TYR 105 -17.557   3.689  -4.715
  839    HE2  TYR 105           HE2      TYR 105 -14.630   1.872  -2.151
  840    HH   TYR 105           HH       TYR 105 -14.990   1.325  -4.365
  841    H    GLY 106           H        GLY 106 -20.273   4.696   0.951
  842   1HA   GLY 106          1HA       GLY 106 -21.512   4.401   3.315
  843   2HA   GLY 106          2HA       GLY 106 -20.195   5.465   3.807
  844    H    ASP 107           H        ASP 107 -22.503   6.619   4.235
  845    HA   ASP 107           HA       ASP 107 -23.984   7.848   2.190
  846   1HB   ASP 107          1HB       ASP 107 -23.251   8.370   5.025
  847   2HB   ASP 107          2HB       ASP 107 -23.892   9.754   4.139
  848    H    ASP 108           H        ASP 108 -20.884   8.870   3.618
  849    HA   ASP 108           HA       ASP 108 -20.617  11.394   2.354
  850   1HB   ASP 108          1HB       ASP 108 -18.499   9.298   2.965
  851   2HB   ASP 108          2HB       ASP 108 -18.224  11.033   2.812
  852    H    TYR 109           H        TYR 109 -19.082   8.327   1.287
  853    HA   TYR 109           HA       TYR 109 -18.827   9.451  -1.443
  854   1HB   TYR 109          1HB       TYR 109 -17.636   7.294   0.227
  855   2HB   TYR 109          2HB       TYR 109 -17.701   6.974  -1.507
  856    HD1  TYR 109           HD1      TYR 109 -17.145  10.076   0.534
  857    HD2  TYR 109           HD2      TYR 109 -15.644   7.441  -2.507
  858    HE1  TYR 109           HE1      TYR 109 -15.206  11.582   0.187
  859    HE2  TYR 109           HE2      TYR 109 -13.704   8.948  -2.854
  860    HH   TYR 109           HH       TYR 109 -12.551  10.923  -0.950
  861    H    TRP 110           H        TRP 110 -21.502   9.036  -0.938
  862    HA   TRP 110           HA       TRP 110 -22.253   7.163  -2.994
  863   1HB   TRP 110          1HB       TRP 110 -21.544   5.781  -0.905
  864   2HB   TRP 110          2HB       TRP 110 -23.057   6.347  -0.197
  865    HD1  TRP 110           HD1      TRP 110 -24.764   4.509  -0.427
  866    HE1  TRP 110           HE1      TRP 110 -25.535   2.914  -2.310
  867    HE3  TRP 110           HE3      TRP 110 -21.386   5.737  -4.039
  868    HZ2  TRP 110           HZ2      TRP 110 -24.800   2.257  -5.003
  869    HZ3  TRP 110           HZ3      TRP 110 -21.436   4.620  -6.250
  870    HH2  TRP 110           HH2      TRP 110 -23.135   2.884  -6.738
  871    H    LEU 111           H        LEU 111 -24.787   6.784  -2.799
  872    HA   LEU 111           HA       LEU 111 -26.079   9.329  -2.808
  873   1HB   LEU 111          1HB       LEU 111 -26.736   6.453  -3.033
  874   2HB   LEU 111          2HB       LEU 111 -28.074   7.457  -2.474
  875    HG   LEU 111           HG       LEU 111 -26.706   8.788  -4.636
  876   1HD1  LEU 111          1HD1      LEU 111 -25.989   6.768  -5.590
  877   2HD1  LEU 111          2HD1      LEU 111 -27.558   7.014  -6.358
  878   3HD1  LEU 111          3HD1      LEU 111 -27.402   5.884  -5.012
  879   1HD2  LEU 111          1HD2      LEU 111 -28.847   9.365  -5.071
  880   2HD2  LEU 111          2HD2      LEU 111 -29.289   8.445  -3.633
  881   3HD2  LEU 111          3HD2      LEU 111 -29.340   7.678  -5.221
  882    H    SER 112           H        SER 112 -28.433   9.005  -1.351
  883    HA   SER 112           HA       SER 112 -27.677   9.885   1.275
  884   1HB   SER 112          1HB       SER 112 -30.026   9.535  -0.374
  885   2HB   SER 112          2HB       SER 112 -30.362   8.943   1.252
  886    HG   SER 112           HG       SER 112 -30.726  11.040   1.474
  887    H    ARG 113           H        ARG 113 -29.861   7.125   0.746
  888    HA   ARG 113           HA       ARG 113 -28.121   5.324   2.301
  889   1HB   ARG 113          1HB       ARG 113 -30.476   6.812   3.331
  890   2HB   ARG 113          2HB       ARG 113 -30.423   5.102   3.756
  891   1HG   ARG 113          1HG       ARG 113 -28.054   5.457   4.544
  892   2HG   ARG 113          2HG       ARG 113 -28.289   7.186   4.294
  893   1HD   ARG 113          1HD       ARG 113 -30.436   5.890   5.863
  894   2HD   ARG 113          2HD       ARG 113 -28.848   5.907   6.653
  895    HE   ARG 113           HE       ARG 113 -29.085   8.457   5.590
  896   1HH1  ARG 113          1HH1      ARG 113 -31.041   6.476   7.680
  897   2HH1  ARG 113          2HH1      ARG 113 -31.710   7.831   8.520
  898   1HH2  ARG 113          1HH2      ARG 113 -29.968  10.200   6.696
  899   2HH2  ARG 113          2HH2      ARG 113 -31.109   9.924   7.970
  900    HA   PRO 114           HA       PRO 114 -31.046   3.389  -0.794
  901   1HB   PRO 114          1HB       PRO 114 -29.091   2.079  -2.233
  902   2HB   PRO 114          2HB       PRO 114 -29.660   3.710  -2.632
  903   1HG   PRO 114          1HG       PRO 114 -27.203   2.852  -1.189
  904   2HG   PRO 114          2HG       PRO 114 -27.431   4.180  -2.334
  905   1HD   PRO 114          1HD       PRO 114 -27.287   4.517   0.373
  906   2HD   PRO 114          2HD       PRO 114 -28.168   5.615  -0.709
  907    H    ARG 115           H        ARG 115 -31.926   1.526  -0.037
  908    HA   ARG 115           HA       ARG 115 -30.092  -0.501   1.189
  909   1HB   ARG 115          1HB       ARG 115 -32.842   0.422   2.054
  910   2HB   ARG 115          2HB       ARG 115 -31.893  -0.831   2.843
  911   1HG   ARG 115          1HG       ARG 115 -31.128   2.085   2.547
  912   2HG   ARG 115          2HG       ARG 115 -31.576   1.259   4.030
  913   1HD   ARG 115          1HD       ARG 115 -29.514  -0.324   3.088
  914   2HD   ARG 115          2HD       ARG 115 -28.984   1.319   2.675
  915    HE   ARG 115           HE       ARG 115 -28.840   1.791   4.990
  916   1HH1  ARG 115          1HH1      ARG 115 -30.749  -1.065   4.425
  917   2HH1  ARG 115          2HH1      ARG 115 -30.890  -1.437   6.108
  918   1HH2  ARG 115          1HH2      ARG 115 -29.036   1.288   7.167
  919   2HH2  ARG 115          2HH2      ARG 115 -29.928  -0.116   7.651
  920    H    LEU 116           H        LEU 116 -30.178  -2.306  -0.117
  921    HA   LEU 116           HA       LEU 116 -32.311  -2.843  -1.981
  922   1HB   LEU 116          1HB       LEU 116 -30.067  -4.514  -0.804
  923   2HB   LEU 116          2HB       LEU 116 -31.054  -5.026  -2.172
  924    HG   LEU 116           HG       LEU 116 -29.862  -2.314  -2.373
  925   1HD1  LEU 116          1HD1      LEU 116 -28.253  -4.836  -2.157
  926   2HD1  LEU 116          2HD1      LEU 116 -27.863  -3.211  -1.592
  927   3HD1  LEU 116          3HD1      LEU 116 -27.747  -3.599  -3.309
  928   1HD2  LEU 116          1HD2      LEU 116 -29.313  -3.546  -4.684
  929   2HD2  LEU 116          2HD2      LEU 116 -30.920  -2.907  -4.336
  930   3HD2  LEU 116          3HD2      LEU 116 -30.589  -4.625  -4.118
  931    H    THR 117           H        THR 117 -31.649  -3.882   1.332
  932    HA   THR 117           HA       THR 117 -33.516  -6.056   1.451
  933    HB   THR 117           HB       THR 117 -32.868  -4.220   3.756
  934    HG1  THR 117           HG1      THR 117 -30.833  -4.491   3.422
  935   1HG2  THR 117          1HG2      THR 117 -33.422  -7.124   3.296
  936   2HG2  THR 117          2HG2      THR 117 -34.017  -6.058   4.569
  937   3HG2  THR 117          3HG2      THR 117 -32.369  -6.682   4.640
  938    H    GLN 118           H        GLN 118 -35.474  -5.832   3.082
  939    HA   GLN 118           HA       GLN 118 -37.481  -4.208   1.900
  940   1HB   GLN 118          1HB       GLN 118 -37.769  -6.267   3.304
  941   2HB   GLN 118          2HB       GLN 118 -37.306  -5.328   4.723
  942   1HG   GLN 118          1HG       GLN 118 -39.209  -3.770   4.245
  943   2HG   GLN 118          2HG       GLN 118 -39.707  -4.840   2.935
  944   1HE2  GLN 118          1HE2      GLN 118 -41.740  -4.942   4.435
  945   2HE2  GLN 118          2HE2      GLN 118 -41.736  -6.139   5.639
  946    H    ASN 119           H        ASN 119 -38.433  -2.229   2.602
  947    HA   ASN 119           HA       ASN 119 -36.601  -0.359   3.911
  948   1HB   ASN 119          1HB       ASN 119 -38.147   0.086   1.944
  949   2HB   ASN 119          2HB       ASN 119 -39.501  -0.022   3.069
  950   1HD2  ASN 119          1HD2      ASN 119 -36.252   1.535   3.347
  951   2HD2  ASN 119          2HD2      ASN 119 -36.860   3.062   3.771
  952   1H    GLY 201          1H        GLY 201  -1.108  12.543 -12.280
  953   2H    GLY 201          2H        GLY 201  -0.556  12.173 -13.843
  954   3H    GLY 201          3H        GLY 201  -0.367  11.046 -12.588
  955   1HA   GLY 201          1HA       GLY 201  -2.180  10.186 -13.675
  956   2HA   GLY 201          2HA       GLY 201  -2.931  11.176 -12.423
  957    H    LYS 202           H        LYS 202  -4.073  10.499 -15.026
  958    HA   LYS 202           HA       LYS 202  -4.007  13.114 -16.464
  959   1HB   LYS 202          1HB       LYS 202  -4.620  10.253 -17.079
  960   2HB   LYS 202          2HB       LYS 202  -5.488  11.473 -18.011
  961   1HG   LYS 202          1HG       LYS 202  -2.477  11.465 -17.667
  962   2HG   LYS 202          2HG       LYS 202  -3.299  10.728 -19.041
  963   1HD   LYS 202          1HD       LYS 202  -4.436  12.994 -19.393
  964   2HD   LYS 202          2HD       LYS 202  -3.271  13.645 -18.240
  965   1HE   LYS 202          1HE       LYS 202  -1.791  12.067 -20.093
  966   2HE   LYS 202          2HE       LYS 202  -2.880  13.102 -21.037
  967   1HZ   LYS 202          1HZ       LYS 202  -2.196  14.964 -19.560
  968   2HZ   LYS 202          2HZ       LYS 202  -0.926  14.362 -20.513
  969   3HZ   LYS 202          3HZ       LYS 202  -1.026  13.946 -18.869
  970    H    ALA 203           H        ALA 203  -5.565  14.523 -15.746
  971    HA   ALA 203           HA       ALA 203  -8.130  13.439 -14.693
  972   1HB   ALA 203          1HB       ALA 203  -6.706  16.114 -14.613
  973   2HB   ALA 203          2HB       ALA 203  -6.990  15.007 -13.270
  974   3HB   ALA 203          3HB       ALA 203  -8.338  15.893 -13.982
  975    HA   PRO 204           HA       PRO 204  -9.909  14.379 -18.701
  976   1HB   PRO 204          1HB       PRO 204 -12.481  14.236 -17.218
  977   2HB   PRO 204          2HB       PRO 204 -11.946  13.305 -18.628
  978   1HG   PRO 204          1HG       PRO 204 -12.119  12.232 -16.170
  979   2HG   PRO 204          2HG       PRO 204 -10.904  11.721 -17.350
  980   1HD   PRO 204          1HD       PRO 204 -10.597  13.422 -14.930
  981   2HD   PRO 204          2HD       PRO 204  -9.453  12.280 -15.667
  982    H    ARG 205           H        ARG 205 -12.273  15.846 -18.974
  983    HA   ARG 205           HA       ARG 205 -11.451  18.535 -18.717
  984   1HB   ARG 205          1HB       ARG 205 -13.472  17.189 -19.904
  985   2HB   ARG 205          2HB       ARG 205 -14.355  17.858 -18.532
  986   1HG   ARG 205          1HG       ARG 205 -14.229  19.982 -19.335
  987   2HG   ARG 205          2HG       ARG 205 -12.562  19.778 -19.871
  988   1HD   ARG 205          1HD       ARG 205 -13.231  18.774 -21.924
  989   2HD   ARG 205          2HD       ARG 205 -14.875  18.472 -21.329
  990    HE   ARG 205           HE       ARG 205 -14.322  21.273 -21.144
  991   1HH1  ARG 205          1HH1      ARG 205 -14.881  18.776 -23.504
  992   2HH1  ARG 205          2HH1      ARG 205 -15.545  19.870 -24.666
  993   1HH2  ARG 205          1HH2      ARG 205 -15.187  22.674 -22.669
  994   2HH2  ARG 205          2HH2      ARG 205 -15.718  22.061 -24.200
  995    H    LYS 206           H        LYS 206 -12.968  16.412 -16.375
  996    HA   LYS 206           HA       LYS 206 -14.065  18.303 -14.565
  997   1HB   LYS 206          1HB       LYS 206 -13.260  15.502 -14.674
  998   2HB   LYS 206          2HB       LYS 206 -12.960  16.184 -13.076
  999   1HG   LYS 206          1HG       LYS 206 -15.165  16.229 -12.604
 1000   2HG   LYS 206          2HG       LYS 206 -15.528  17.059 -14.118
 1001   1HD   LYS 206          1HD       LYS 206 -16.653  14.866 -14.037
 1002   2HD   LYS 206          2HD       LYS 206 -15.440  14.897 -15.318
 1003   1HE   LYS 206          1HE       LYS 206 -13.959  14.029 -13.156
 1004   2HE   LYS 206          2HE       LYS 206 -15.529  13.254 -12.875
 1005   1HZ   LYS 206          1HZ       LYS 206 -15.533  12.443 -15.123
 1006   2HZ   LYS 206          2HZ       LYS 206 -14.071  11.974 -14.397
 1007   3HZ   LYS 206          3HZ       LYS 206 -14.099  13.278 -15.484
 1008    H    GLN 207           H        GLN 207 -13.133  19.596 -12.981
 1009    HA   GLN 207           HA       GLN 207 -10.169  19.379 -12.591
 1010   1HB   GLN 207          1HB       GLN 207 -10.821  21.189 -14.175
 1011   2HB   GLN 207          2HB       GLN 207 -11.865  21.881 -12.934
 1012   1HG   GLN 207          1HG       GLN 207 -10.114  22.785 -11.796
 1013   2HG   GLN 207          2HG       GLN 207  -9.097  21.367 -12.051
 1014   1HE2  GLN 207          1HE2      GLN 207  -7.383  21.700 -13.475
 1015   2HE2  GLN 207          2HE2      GLN 207  -7.329  22.901 -14.673
 1016    H    LEU 208           H        LEU 208 -13.167  20.876 -11.312
 1017    HA   LEU 208           HA       LEU 208 -11.978  20.807  -8.577
 1018   1HB   LEU 208          1HB       LEU 208 -13.480  22.652 -10.061
 1019   2HB   LEU 208          2HB       LEU 208 -14.633  21.989  -8.903
 1020    HG   LEU 208           HG       LEU 208 -12.076  22.505  -7.630
 1021   1HD1  LEU 208          1HD1      LEU 208 -13.487  24.918  -8.800
 1022   2HD1  LEU 208          2HD1      LEU 208 -11.999  24.242  -9.462
 1023   3HD1  LEU 208          3HD1      LEU 208 -12.014  24.912  -7.831
 1024   1HD2  LEU 208          1HD2      LEU 208 -14.208  22.199  -6.448
 1025   2HD2  LEU 208          2HD2      LEU 208 -14.871  23.624  -7.249
 1026   3HD2  LEU 208          3HD2      LEU 208 -13.543  23.795  -6.100
 1027    H    ALA 209           H        ALA 209 -12.473  18.991  -7.415
 1028    HA   ALA 209           HA       ALA 209 -15.259  18.103  -7.191
 1029   1HB   ALA 209          1HB       ALA 209 -14.643  17.010  -9.258
 1030   2HB   ALA 209          2HB       ALA 209 -14.607  15.773  -8.002
 1031   3HB   ALA 209          3HB       ALA 209 -13.101  16.484  -8.584
 1032    H    THR 210           H        THR 210 -13.581  19.074  -5.203
 1033    HA   THR 210           HA       THR 210 -12.875  16.597  -3.661
 1034    HB   THR 210           HB       THR 210 -11.622  19.368  -3.578
 1035    HG1  THR 210           HG1      THR 210 -10.659  16.938  -4.675
 1036   1HG2  THR 210          1HG2      THR 210 -11.132  18.478  -1.493
 1037   2HG2  THR 210          2HG2      THR 210  -9.796  17.816  -2.434
 1038   3HG2  THR 210          3HG2      THR 210 -11.201  16.814  -2.073
 1039    H    LYS 211           H        LYS 211 -15.481  17.602  -3.518
 1040    HA   LYS 211           HA       LYS 211 -15.503  19.057  -0.893
 1041   1HB   LYS 211          1HB       LYS 211 -17.025  19.251  -3.438
 1042   2HB   LYS 211          2HB       LYS 211 -17.985  19.419  -1.968
 1043   1HG   LYS 211          1HG       LYS 211 -15.408  20.945  -2.307
 1044   2HG   LYS 211          2HG       LYS 211 -16.915  21.561  -2.985
 1045   1HD   LYS 211          1HD       LYS 211 -16.741  20.686  -0.102
 1046   2HD   LYS 211          2HD       LYS 211 -16.282  22.318  -0.591
 1047   1HE   LYS 211          1HE       LYS 211 -18.481  22.826  -1.347
 1048   2HE   LYS 211          2HE       LYS 211 -18.953  21.116  -1.368
 1049   1HZ   LYS 211          1HZ       LYS 211 -18.228  22.729   1.026
 1050   2HZ   LYS 211          2HZ       LYS 211 -18.539  21.059   1.047
 1051   3HZ   LYS 211          3HZ       LYS 211 -19.777  22.149   0.639
 1052    H    ALA 212           H        ALA 212 -15.425  17.004   0.277
 1053    HA   ALA 212           HA       ALA 212 -18.061  15.856   0.744
 1054   1HB   ALA 212          1HB       ALA 212 -17.645  13.688  -0.193
 1055   2HB   ALA 212          2HB       ALA 212 -15.931  14.036  -0.414
 1056   3HB   ALA 212          3HB       ALA 212 -17.130  14.833  -1.431
 1057    H    ALA 213           H        ALA 213 -17.191  13.405   1.872
 1058    HA   ALA 213           HA       ALA 213 -15.251  14.309   3.974
 1059   1HB   ALA 213          1HB       ALA 213 -17.395  14.454   4.975
 1060   2HB   ALA 213          2HB       ALA 213 -16.831  12.857   5.466
 1061   3HB   ALA 213          3HB       ALA 213 -17.978  13.017   4.136
 1062    H    ARG 214           H        ARG 214 -14.460  12.756   1.740
 1063    HA   ARG 214           HA       ARG 214 -13.445  10.699   1.174
 1064   1HB   ARG 214          1HB       ARG 214 -13.158  11.106   4.144
 1065   2HB   ARG 214          2HB       ARG 214 -12.478   9.663   3.390
 1066   1HG   ARG 214          1HG       ARG 214 -10.679  11.097   3.165
 1067   2HG   ARG 214          2HG       ARG 214 -11.527  11.464   1.666
 1068   1HD   ARG 214          1HD       ARG 214 -12.789  13.224   3.237
 1069   2HD   ARG 214          2HD       ARG 214 -11.274  13.109   4.153
 1070    HE   ARG 214           HE       ARG 214 -10.414  13.318   1.538
 1071   1HH1  ARG 214          1HH1      ARG 214 -12.601  15.163   3.521
 1072   2HH1  ARG 214          2HH1      ARG 214 -12.277  16.645   2.691
 1073   1HH2  ARG 214          1HH2      ARG 214 -10.010  15.253   0.478
 1074   2HH2  ARG 214          2HH2      ARG 214 -10.822  16.698   0.982
 1075   1HN   MLZ 215          1HN       MLZ 215 -13.399   8.220   2.159
 1076    HA   MLZ 215           HA       MLZ 215 -16.195   7.341   1.983
 1077   1HB   MLZ 215          1HB       MLZ 215 -13.438   6.172   1.937
 1078   2HB   MLZ 215          2HB       MLZ 215 -14.773   5.090   2.333
 1079   1HG   MLZ 215          1HG       MLZ 215 -15.597   6.689   0.124
 1080   2HG   MLZ 215          2HG       MLZ 215 -15.292   4.954   0.150
 1081   1HD   MLZ 215          1HD       MLZ 215 -13.504   7.183  -0.717
 1082   2HD   MLZ 215          2HD       MLZ 215 -12.752   5.783   0.048
 1083   1HE   MLZ 215          1HE       MLZ 215 -14.788   5.311  -2.111
 1084   2HE   MLZ 215          2HE       MLZ 215 -13.362   4.348  -1.680
 1085    HZ   MLZ 215           HZ       MLZ 215 -11.980   6.244  -2.418
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -11.974   4.758  -4.099
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -12.877   6.039  -4.902
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -13.732   4.696  -4.152
 1089    H    SER 216           H        SER 216 -17.381   6.403   3.662
 1090    HA   SER 216           HA       SER 216 -18.003   5.908   5.884
 1091   1HB   SER 216          1HB       SER 216 -15.891   7.441   7.169
 1092   2HB   SER 216          2HB       SER 216 -16.550   8.327   5.795
 1093    HG   SER 216           HG       SER 216 -18.200   7.066   7.706
 1094    H    ALA 217           H        ALA 217 -17.190   4.785   7.872
 1095    HA   ALA 217           HA       ALA 217 -15.021   2.910   7.172
 1096   1HB   ALA 217          1HB       ALA 217 -13.444   3.951   8.422
 1097   2HB   ALA 217          2HB       ALA 217 -14.516   3.952   9.822
 1098   3HB   ALA 217          3HB       ALA 217 -14.573   5.284   8.667
 1099    HA   PRO 218           HA       PRO 218 -17.026   0.066   9.846
 1100   1HB   PRO 218          1HB       PRO 218 -14.884  -0.016  11.894
 1101   2HB   PRO 218          2HB       PRO 218 -15.472  -1.311  10.838
 1102   1HG   PRO 218          1HG       PRO 218 -13.080  -0.121  10.494
 1103   2HG   PRO 218          2HG       PRO 218 -14.034  -0.761   9.150
 1104   1HD   PRO 218          1HD       PRO 218 -13.617   2.058  10.002
 1105   2HD   PRO 218          2HD       PRO 218 -13.838   1.386   8.373
 1106    H    ALA 219           H        ALA 219 -18.703   1.420  10.665
 1107    HA   ALA 219           HA       ALA 219 -19.909   2.605  12.314
 1108   1HB   ALA 219          1HB       ALA 219 -18.550   1.851  14.650
 1109   2HB   ALA 219          2HB       ALA 219 -18.217   0.545  13.513
 1110   3HB   ALA 219          3HB       ALA 219 -19.884   0.975  13.899
 1111    H    THR 220           H        THR 220 -18.656   4.557  11.307
 1112    HA   THR 220           HA       THR 220 -16.472   5.678  12.902
 1113    HB   THR 220           HB       THR 220 -17.203   7.685  11.315
 1114    HG1  THR 220           HG1      THR 220 -18.599   7.153   9.809
 1115   1HG2  THR 220          1HG2      THR 220 -15.164   6.654  10.816
 1116   2HG2  THR 220          2HG2      THR 220 -16.112   6.299   9.372
 1117   3HG2  THR 220          3HG2      THR 220 -15.904   5.066  10.615
 1118    H    GLY 221           H        GLY 221 -18.013   5.435  14.922
 1119   1HA   GLY 221          1HA       GLY 221 -18.601   7.317  16.495
 1120   2HA   GLY 221          2HA       GLY 221 -19.593   7.964  15.188
 1121   1H    MET   1          1H        MET   1  -0.831 -11.329   8.868
 1122   2H    MET   1          2H        MET   1  -1.434 -11.030   7.309
 1123   3H    MET   1          3H        MET   1  -1.569  -9.841   8.515
 1124    HA   MET   1           HA       MET   1   0.229  -9.340   6.924
 1125   1HB   MET   1          1HB       MET   1   0.450  -9.802   9.864
 1126   2HB   MET   1          2HB       MET   1   1.946  -9.403   9.019
 1127   1HG   MET   1          1HG       MET   1  -0.543  -7.780   8.538
 1128   2HG   MET   1          2HG       MET   1   0.468  -7.457   9.947
 1129   1HE   MET   1          1HE       MET   1   0.976  -5.346   9.580
 1130   2HE   MET   1          2HE       MET   1   0.354  -4.899   7.992
 1131   3HE   MET   1          3HE       MET   1   2.053  -4.631   8.380
 1132    H    PHE   2           H        PHE   2   1.307 -11.931   9.159
 1133    HA   PHE   2           HA       PHE   2   3.588 -12.754   7.758
 1134   1HB   PHE   2          1HB       PHE   2   3.147 -14.944   8.941
 1135   2HB   PHE   2          2HB       PHE   2   3.001 -13.534   9.990
 1136    HD1  PHE   2           HD1      PHE   2   1.043 -15.967   7.953
 1137    HD2  PHE   2           HD2      PHE   2   0.947 -13.001  11.059
 1138    HE1  PHE   2           HE1      PHE   2  -1.294 -16.602   8.488
 1139    HE2  PHE   2           HE2      PHE   2  -1.389 -13.635  11.593
 1140    HZ   PHE   2           HZ       PHE   2  -2.510 -15.434  10.307
 1141    H    ASN   3           H        ASN   3   3.967 -14.131   6.019
 1142    HA   ASN   3           HA       ASN   3   1.608 -15.406   4.697
 1143   1HB   ASN   3          1HB       ASN   3   3.295 -13.173   3.820
 1144   2HB   ASN   3          2HB       ASN   3   3.255 -14.482   2.639
 1145   1HD2  ASN   3          1HD2      ASN   3   1.771 -11.659   3.104
 1146   2HD2  ASN   3          2HD2      ASN   3   0.183 -12.035   2.638
 1147    H    ASP   4           H        ASP   4   2.109 -17.380   3.710
 1148    HA   ASP   4           HA       ASP   4   4.161 -19.012   4.596
 1149   1HB   ASP   4          1HB       ASP   4   2.105 -19.561   3.218
 1150   2HB   ASP   4          2HB       ASP   4   2.991 -19.019   1.793
 1151    H    ARG   5           H        ARG   5   4.247 -17.132   1.534
 1152    HA   ARG   5           HA       ARG   5   6.934 -17.911   0.854
 1153   1HB   ARG   5          1HB       ARG   5   4.875 -15.920   0.015
 1154   2HB   ARG   5          2HB       ARG   5   6.534 -15.597  -0.486
 1155   1HG   ARG   5          1HG       ARG   5   5.030 -18.188  -0.966
 1156   2HG   ARG   5          2HG       ARG   5   5.329 -16.944  -2.179
 1157   1HD   ARG   5          1HD       ARG   5   7.850 -17.508  -1.017
 1158   2HD   ARG   5          2HD       ARG   5   7.082 -19.076  -1.331
 1159    HE   ARG   5           HE       ARG   5   6.760 -17.143  -3.511
 1160   1HH1  ARG   5          1HH1      ARG   5   8.751 -19.645  -2.134
 1161   2HH1  ARG   5          2HH1      ARG   5   9.502 -20.028  -3.643
 1162   1HH2  ARG   5          1HH2      ARG   5   7.750 -17.659  -5.456
 1163   2HH2  ARG   5          2HH2      ARG   5   8.942 -18.914  -5.510
 1164    H    VAL   6           H        VAL   6   5.597 -15.128   2.627
 1165    HA   VAL   6           HA       VAL   6   8.282 -14.588   3.755
 1166    HB   VAL   6           HB       VAL   6   6.676 -12.625   2.074
 1167   1HG1  VAL   6          1HG1      VAL   6   9.384 -12.150   3.326
 1168   2HG1  VAL   6          2HG1      VAL   6   7.889 -11.717   4.155
 1169   3HG1  VAL   6          3HG1      VAL   6   8.290 -10.966   2.611
 1170   1HG2  VAL   6          1HG2      VAL   6   7.872 -14.087   0.622
 1171   2HG2  VAL   6          2HG2      VAL   6   9.290 -14.089   1.671
 1172   3HG2  VAL   6          3HG2      VAL   6   8.874 -12.642   0.752
 1173    H    ILE   7           H        ILE   7   8.139 -13.397   5.731
 1174    HA   ILE   7           HA       ILE   7   5.339 -12.941   6.714
 1175    HB   ILE   7           HB       ILE   7   6.529 -14.829   7.760
 1176   1HG1  ILE   7          1HG1      ILE   7   6.559 -12.492   9.684
 1177   2HG1  ILE   7          2HG1      ILE   7   5.069 -13.256   9.129
 1178   1HG2  ILE   7          1HG2      ILE   7   8.773 -14.695   7.915
 1179   2HG2  ILE   7          2HG2      ILE   7   8.555 -13.560   9.247
 1180   3HG2  ILE   7          3HG2      ILE   7   8.737 -12.960   7.599
 1181   1HD1  ILE   7          1HD1      ILE   7   6.152 -15.476   9.894
 1182   2HD1  ILE   7          2HD1      ILE   7   5.575 -14.381  11.151
 1183   3HD1  ILE   7          3HD1      ILE   7   7.296 -14.461  10.773
 1184    H    VAL   8           H        VAL   8   5.246 -11.243   8.485
 1185    HA   VAL   8           HA       VAL   8   6.952  -8.924   7.717
 1186    HB   VAL   8           HB       VAL   8   4.378  -9.207   9.311
 1187   1HG1  VAL   8          1HG1      VAL   8   6.214  -7.121   9.398
 1188   2HG1  VAL   8          2HG1      VAL   8   4.507  -7.007   9.827
 1189   3HG1  VAL   8          3HG1      VAL   8   5.038  -6.581   8.200
 1190   1HG2  VAL   8          1HG2      VAL   8   4.862  -9.333   6.544
 1191   2HG2  VAL   8          2HG2      VAL   8   4.254  -7.703   6.832
 1192   3HG2  VAL   8          3HG2      VAL   8   3.302  -9.101   7.332
 1193    H    LYS   9           H        LYS   9   8.573  -8.307   9.067
 1194    HA   LYS   9           HA       LYS   9   8.321  -8.738  11.983
 1195   1HB   LYS   9          1HB       LYS   9   9.826 -10.352  10.135
 1196   2HB   LYS   9          2HB       LYS   9  10.911  -9.590  11.295
 1197   1HG   LYS   9          1HG       LYS   9  10.309 -11.200  12.758
 1198   2HG   LYS   9          2HG       LYS   9   8.722 -10.434  12.827
 1199   1HD   LYS   9          1HD       LYS   9   7.774 -11.968  11.388
 1200   2HD   LYS   9          2HD       LYS   9   9.288 -12.246  10.527
 1201   1HE   LYS   9          1HE       LYS   9   9.354 -14.194  11.734
 1202   2HE   LYS   9          2HE       LYS   9   9.892 -13.155  13.066
 1203   1HZ   LYS   9          1HZ       LYS   9   7.739 -12.951  13.883
 1204   2HZ   LYS   9          2HZ       LYS   9   7.795 -14.582  13.414
 1205   3HZ   LYS   9          3HZ       LYS   9   7.020 -13.441  12.424
 1206    H    LYS  10           H        LYS  10  10.120  -5.622  12.077
 1207    HA   LYS  10           HA       LYS  10   8.490  -5.663  13.741
 1208   1HB   LYS  10          1HB       LYS  10   7.338  -6.641  11.368
 1209   2HB   LYS  10          2HB       LYS  10   6.805  -7.748  12.633
 1210   1HG   LYS  10          1HG       LYS  10   6.628  -4.733  12.855
 1211   2HG   LYS  10          2HG       LYS  10   5.296  -5.757  12.320
 1212   1HD   LYS  10          1HD       LYS  10   5.008  -6.712  14.418
 1213   2HD   LYS  10          2HD       LYS  10   6.685  -6.433  14.888
 1214   1HE   LYS  10          1HE       LYS  10   6.192  -3.967  14.970
 1215   2HE   LYS  10          2HE       LYS  10   4.485  -4.347  14.670
 1216   1HZ   LYS  10          1HZ       LYS  10   4.737  -5.983  16.579
 1217   2HZ   LYS  10          2HZ       LYS  10   4.705  -4.338  16.998
 1218   3HZ   LYS  10          3HZ       LYS  10   6.182  -5.176  16.957
 1219    H    SER  11           H        SER  11  10.460  -6.839  14.787
 1220    HA   SER  11           HA       SER  11   9.448  -8.964  16.412
 1221   1HB   SER  11          1HB       SER  11   9.718 -10.649  14.915
 1222   2HB   SER  11          2HB       SER  11  10.709  -9.655  13.854
 1223    HG   SER  11           HG       SER  11  12.489 -10.112  15.123
 1224    HA   PRO  12           HA       PRO  12  14.035  -8.269  17.411
 1225   1HB   PRO  12          1HB       PRO  12  15.172  -6.420  15.451
 1226   2HB   PRO  12          2HB       PRO  12  15.664  -8.084  15.808
 1227   1HG   PRO  12          1HG       PRO  12  14.487  -7.344  13.477
 1228   2HG   PRO  12          2HG       PRO  12  14.327  -8.960  14.178
 1229   1HD   PRO  12          1HD       PRO  12  12.417  -6.661  14.262
 1230   2HD   PRO  12          2HD       PRO  12  12.104  -8.382  13.971
 1231    H    LEU  13           H        LEU  13  15.561  -5.778  17.244
 1232    HA   LEU  13           HA       LEU  13  13.705  -4.028  18.785
 1233   1HB   LEU  13          1HB       LEU  13  16.295  -4.998  19.160
 1234   2HB   LEU  13          2HB       LEU  13  16.549  -3.323  18.669
 1235    HG   LEU  13           HG       LEU  13  14.538  -2.943  20.413
 1236   1HD1  LEU  13          1HD1      LEU  13  16.001  -5.425  21.360
 1237   2HD1  LEU  13          2HD1      LEU  13  14.280  -5.290  20.999
 1238   3HD1  LEU  13          3HD1      LEU  13  14.960  -4.437  22.385
 1239   1HD2  LEU  13          1HD2      LEU  13  16.631  -1.774  20.588
 1240   2HD2  LEU  13          2HD2      LEU  13  17.492  -3.258  20.999
 1241   3HD2  LEU  13          3HD2      LEU  13  16.354  -2.552  22.146
 1242    H    GLY  14           H        GLY  14  15.220  -4.224  15.703
 1243   1HA   GLY  14          1HA       GLY  14  15.694  -1.448  15.189
 1244   2HA   GLY  14          2HA       GLY  14  15.428  -2.677  13.953
 1245    H    GLY  15           H        GLY  15  13.898  -1.709  12.649
 1246   1HA   GLY  15          1HA       GLY  15  11.458  -0.620  13.989
 1247   2HA   GLY  15          2HA       GLY  15  12.020  -0.118  12.395
 1248    H    TYR  16           H        TYR  16  10.175  -0.728  11.232
 1249    HA   TYR  16           HA       TYR  16   9.205  -3.528  11.482
 1250   1HB   TYR  16          1HB       TYR  16   8.226  -0.960  10.215
 1251   2HB   TYR  16          2HB       TYR  16   7.446  -2.502   9.867
 1252    HD1  TYR  16           HD1      TYR  16   8.721  -0.600  12.849
 1253    HD2  TYR  16           HD2      TYR  16   5.629  -3.080  11.194
 1254    HE1  TYR  16           HE1      TYR  16   7.450  -0.433  14.972
 1255    HE2  TYR  16           HE2      TYR  16   4.358  -2.913  13.317
 1256    HH   TYR  16           HH       TYR  16   4.713  -0.698  15.500
 1257    H    GLY  17           H        GLY  17  10.524  -4.871  10.259
 1258   1HA   GLY  17          1HA       GLY  17  10.991  -4.070   7.412
 1259   2HA   GLY  17          2HA       GLY  17  12.134  -5.056   8.325
 1260    H    VAL  18           H        VAL  18  11.608  -6.502   6.308
 1261    HA   VAL  18           HA       VAL  18   9.245  -8.207   7.025
 1262    HB   VAL  18           HB       VAL  18   8.719  -7.075   4.984
 1263   1HG1  VAL  18          1HG1      VAL  18  10.658  -7.631   3.096
 1264   2HG1  VAL  18          2HG1      VAL  18  11.604  -7.283   4.540
 1265   3HG1  VAL  18          3HG1      VAL  18  10.458  -6.092   3.933
 1266   1HG2  VAL  18          1HG2      VAL  18   8.602  -9.687   5.045
 1267   2HG2  VAL  18          2HG2      VAL  18   9.925  -9.599   3.881
 1268   3HG2  VAL  18          3HG2      VAL  18   8.370  -8.855   3.507
 1269    H    PHE  19           H        PHE  19   9.737 -10.330   7.398
 1270    HA   PHE  19           HA       PHE  19  12.569 -11.165   7.097
 1271   1HB   PHE  19          1HB       PHE  19  10.141 -11.949   8.673
 1272   2HB   PHE  19          2HB       PHE  19  11.384 -13.171   8.423
 1273    HD1  PHE  19           HD1      PHE  19  12.003 -13.277  10.774
 1274    HD2  PHE  19           HD2      PHE  19  12.202  -9.561   8.623
 1275    HE1  PHE  19           HE1      PHE  19  13.341 -12.284  12.609
 1276    HE2  PHE  19           HE2      PHE  19  13.540  -8.571  10.461
 1277    HZ   PHE  19           HZ       PHE  19  14.108  -9.933  12.454
 1278    H    ALA  20           H        ALA  20  12.991 -13.403   6.296
 1279    HA   ALA  20           HA       ALA  20  11.029 -14.228   4.180
 1280   1HB   ALA  20          1HB       ALA  20  13.666 -15.030   3.507
 1281   2HB   ALA  20          2HB       ALA  20  13.793 -13.375   4.103
 1282   3HB   ALA  20          3HB       ALA  20  12.722 -13.747   2.752
 1283    H    ARG  21           H        ARG  21  10.105 -15.983   5.330
 1284    HA   ARG  21           HA       ARG  21  11.500 -17.861   6.959
 1285   1HB   ARG  21          1HB       ARG  21   8.906 -17.498   5.656
 1286   2HB   ARG  21          2HB       ARG  21   9.372 -19.197   5.721
 1287   1HG   ARG  21          1HG       ARG  21   9.075 -19.292   7.962
 1288   2HG   ARG  21          2HG       ARG  21   9.941 -17.778   8.217
 1289   1HD   ARG  21          1HD       ARG  21   7.980 -16.674   8.492
 1290   2HD   ARG  21          2HD       ARG  21   7.404 -17.253   6.918
 1291    HE   ARG  21           HE       ARG  21   6.800 -18.458   9.512
 1292   1HH1  ARG  21          1HH1      ARG  21   7.199 -19.021   6.100
 1293   2HH1  ARG  21          2HH1      ARG  21   6.196 -20.430   6.104
 1294   1HH2  ARG  21          1HH2      ARG  21   5.503 -20.289   9.492
 1295   2HH2  ARG  21          2HH2      ARG  21   5.242 -21.145   8.008
 1296    H    LYS  22           H        LYS  22  11.417 -17.452   3.515
 1297    HA   LYS  22           HA       LYS  22  12.363 -20.207   2.968
 1298   1HB   LYS  22          1HB       LYS  22  12.040 -17.812   1.118
 1299   2HB   LYS  22          2HB       LYS  22  12.092 -19.509   0.654
 1300   1HG   LYS  22          1HG       LYS  22  10.028 -19.362   2.540
 1301   2HG   LYS  22          2HG       LYS  22   9.823 -17.929   1.534
 1302   1HD   LYS  22          1HD       LYS  22   9.325 -19.153  -0.337
 1303   2HD   LYS  22          2HD       LYS  22  10.436 -20.453   0.095
 1304   1HE   LYS  22          1HE       LYS  22   8.098 -20.132   1.901
 1305   2HE   LYS  22          2HE       LYS  22   7.735 -20.712   0.264
 1306   1HZ   LYS  22          1HZ       LYS  22   9.708 -21.832   2.185
 1307   2HZ   LYS  22          2HZ       LYS  22   9.642 -22.280   0.548
 1308   3HZ   LYS  22          3HZ       LYS  22   8.324 -22.601   1.570
 1309    H    SER  23           H        SER  23  15.727 -19.147   1.863
 1310    HA   SER  23           HA       SER  23  13.365 -20.879   1.291
 1311   1HB   SER  23          1HB       SER  23  15.493 -21.909   2.013
 1312   2HB   SER  23          2HB       SER  23  15.143 -22.350   0.342
 1313    HG   SER  23           HG       SER  23  16.942 -21.447  -0.179
 1314    H    PHE  24           H        PHE  24  15.338 -18.365  -0.077
 1315    HA   PHE  24           HA       PHE  24  13.892 -18.703  -2.677
 1316   1HB   PHE  24          1HB       PHE  24  15.062 -16.353  -1.159
 1317   2HB   PHE  24          2HB       PHE  24  14.520 -16.212  -2.830
 1318    HD1  PHE  24           HD1      PHE  24  12.126 -17.779  -3.019
 1319    HD2  PHE  24           HD2      PHE  24  13.496 -15.363   0.259
 1320    HE1  PHE  24           HE1      PHE  24   9.786 -17.509  -2.239
 1321    HE2  PHE  24           HE2      PHE  24  11.158 -15.093   1.038
 1322    HZ   PHE  24           HZ       PHE  24   9.303 -16.166  -0.211
 1323    H    GLU  25           H        GLU  25  15.127 -18.208  -4.642
 1324    HA   GLU  25           HA       GLU  25  18.002 -18.963  -4.372
 1325   1HB   GLU  25          1HB       GLU  25  15.811 -19.627  -6.094
 1326   2HB   GLU  25          2HB       GLU  25  17.041 -18.832  -7.077
 1327   1HG   GLU  25          1HG       GLU  25  18.742 -20.385  -6.013
 1328   2HG   GLU  25          2HG       GLU  25  17.387 -21.267  -5.308
 1329    H    LYS  26           H        LYS  26  18.829 -17.920  -6.883
 1330    HA   LYS  26           HA       LYS  26  19.001 -15.029  -6.198
 1331   1HB   LYS  26          1HB       LYS  26  20.955 -16.694  -6.657
 1332   2HB   LYS  26          2HB       LYS  26  20.507 -16.523  -8.352
 1333   1HG   LYS  26          1HG       LYS  26  20.801 -14.085  -8.198
 1334   2HG   LYS  26          2HG       LYS  26  21.213 -14.235  -6.492
 1335   1HD   LYS  26          1HD       LYS  26  23.204 -15.505  -7.016
 1336   2HD   LYS  26          2HD       LYS  26  22.747 -15.607  -8.716
 1337   1HE   LYS  26          1HE       LYS  26  22.702 -12.896  -8.340
 1338   2HE   LYS  26          2HE       LYS  26  24.011 -13.372  -7.242
 1339   1HZ   LYS  26          1HZ       LYS  26  24.836 -14.813  -9.106
 1340   2HZ   LYS  26          2HZ       LYS  26  24.969 -13.144  -9.390
 1341   3HZ   LYS  26          3HZ       LYS  26  23.724 -14.034 -10.125
 1342    H    GLY  27           H        GLY  27  16.926 -14.347  -7.048
 1343   1HA   GLY  27          1HA       GLY  27  16.366 -13.054  -9.166
 1344   2HA   GLY  27          2HA       GLY  27  16.709 -14.555 -10.026
 1345    H    GLU  28           H        GLU  28  14.824 -13.806  -7.072
 1346    HA   GLU  28           HA       GLU  28  12.484 -15.158  -8.378
 1347   1HB   GLU  28          1HB       GLU  28  13.998 -15.696  -5.926
 1348   2HB   GLU  28          2HB       GLU  28  12.270 -15.525  -5.616
 1349   1HG   GLU  28          1HG       GLU  28  12.998 -17.143  -7.994
 1350   2HG   GLU  28          2HG       GLU  28  13.410 -17.849  -6.431
 1351    H    LEU  29           H        LEU  29  10.580 -14.008  -8.250
 1352    HA   LEU  29           HA       LEU  29  10.607 -11.302  -7.174
 1353   1HB   LEU  29          1HB       LEU  29   9.389 -12.381  -9.231
 1354   2HB   LEU  29          2HB       LEU  29   8.180 -12.879  -8.049
 1355    HG   LEU  29           HG       LEU  29   7.598 -10.709  -9.104
 1356   1HD1  LEU  29          1HD1      LEU  29   7.321 -11.374  -6.522
 1357   2HD1  LEU  29          2HD1      LEU  29   6.801  -9.807  -7.142
 1358   3HD1  LEU  29          3HD1      LEU  29   8.353  -9.958  -6.318
 1359   1HD2  LEU  29          1HD2      LEU  29   9.149  -9.110  -9.426
 1360   2HD2  LEU  29          2HD2      LEU  29  10.358 -10.218  -8.776
 1361   3HD2  LEU  29          3HD2      LEU  29   9.536  -9.083  -7.705
 1362    H    VAL  30           H        VAL  30  10.632 -11.187  -4.933
 1363    HA   VAL  30           HA       VAL  30   9.336 -13.067  -3.177
 1364    HB   VAL  30           HB       VAL  30  10.298 -10.200  -2.845
 1365   1HG1  VAL  30          1HG1      VAL  30   8.818 -11.895  -1.052
 1366   2HG1  VAL  30          2HG1      VAL  30   9.433 -10.267  -0.769
 1367   3HG1  VAL  30          3HG1      VAL  30  10.447 -11.667  -0.419
 1368   1HG2  VAL  30          1HG2      VAL  30  11.845 -12.317  -1.585
 1369   2HG2  VAL  30          2HG2      VAL  30  12.377 -11.069  -2.711
 1370   3HG2  VAL  30          3HG2      VAL  30  11.700 -12.579  -3.323
 1371    H    GLU  31           H        GLU  31   8.425  -9.780  -4.271
 1372    HA   GLU  31           HA       GLU  31   5.584 -10.428  -4.162
 1373   1HB   GLU  31          1HB       GLU  31   6.961  -9.543  -1.809
 1374   2HB   GLU  31          2HB       GLU  31   5.891  -8.241  -2.329
 1375   1HG   GLU  31          1HG       GLU  31   4.717 -10.958  -2.433
 1376   2HG   GLU  31          2HG       GLU  31   5.073 -10.354  -0.814
 1377    H    GLU  32           H        GLU  32   4.313  -8.713  -5.098
 1378    HA   GLU  32           HA       GLU  32   5.817  -6.302  -6.019
 1379   1HB   GLU  32          1HB       GLU  32   4.953  -6.721  -8.303
 1380   2HB   GLU  32          2HB       GLU  32   5.911  -8.092  -7.744
 1381   1HG   GLU  32          1HG       GLU  32   3.623  -9.025  -6.892
 1382   2HG   GLU  32          2HG       GLU  32   2.921  -7.864  -8.019
 1383    H    CYS  33           H        CYS  33   4.521  -4.457  -6.139
 1384    HA   CYS  33           HA       CYS  33   1.568  -4.761  -5.918
 1385   1HB   CYS  33          1HB       CYS  33   3.460  -4.019  -3.820
 1386   2HB   CYS  33          2HB       CYS  33   2.264  -2.750  -4.087
 1387    HG   CYS  33           HG       CYS  33   0.687  -5.218  -3.974
 1388    H    LEU  34           H        LEU  34   0.703  -2.281  -5.761
 1389    HA   LEU  34           HA       LEU  34   1.872  -0.932  -8.133
 1390   1HB   LEU  34          1HB       LEU  34  -0.717  -1.250  -6.819
 1391   2HB   LEU  34          2HB       LEU  34  -0.397   0.438  -7.213
 1392    HG   LEU  34           HG       LEU  34   0.373  -0.557  -9.527
 1393   1HD1  LEU  34          1HD1      LEU  34   0.225  -2.837  -9.385
 1394   2HD1  LEU  34          2HD1      LEU  34  -1.455  -2.526  -9.824
 1395   3HD1  LEU  34          3HD1      LEU  34  -1.016  -2.776  -8.135
 1396   1HD2  LEU  34          1HD2      LEU  34  -2.335   0.072  -8.453
 1397   2HD2  LEU  34          2HD2      LEU  34  -2.269  -0.677 -10.049
 1398   3HD2  LEU  34          3HD2      LEU  34  -1.435   0.850  -9.756
 1399    H    CYS  35           H        CYS  35   1.557   1.646  -7.858
 1400    HA   CYS  35           HA       CYS  35   2.446   2.547  -5.167
 1401   1HB   CYS  35          1HB       CYS  35   4.437   3.630  -6.238
 1402   2HB   CYS  35          2HB       CYS  35   4.476   1.875  -6.391
 1403    HG   CYS  35           HG       CYS  35   4.444   3.776  -8.697
 1404    H    ILE  36           H        ILE  36   2.763   5.055  -5.286
 1405    HA   ILE  36           HA       ILE  36   0.511   6.175  -6.912
 1406    HB   ILE  36           HB       ILE  36   1.958   7.254  -4.463
 1407   1HG1  ILE  36          1HG1      ILE  36  -0.676   5.765  -4.691
 1408   2HG1  ILE  36          2HG1      ILE  36   0.804   5.137  -3.968
 1409   1HG2  ILE  36          1HG2      ILE  36  -0.652   8.262  -4.633
 1410   2HG2  ILE  36          2HG2      ILE  36  -0.036   8.331  -6.284
 1411   3HG2  ILE  36          3HG2      ILE  36   0.837   9.141  -4.983
 1412   1HD1  ILE  36          1HD1      ILE  36  -0.931   6.110  -2.347
 1413   2HD1  ILE  36          2HD1      ILE  36  -0.494   7.689  -2.998
 1414   3HD1  ILE  36          3HD1      ILE  36   0.720   6.707  -2.179
 1415    H    VAL  37           H        VAL  37   1.545   6.776  -8.853
 1416    HA   VAL  37           HA       VAL  37   4.156   8.119  -8.807
 1417    HB   VAL  37           HB       VAL  37   2.156   7.688 -11.059
 1418   1HG1  VAL  37          1HG1      VAL  37   5.169   8.042 -11.095
 1419   2HG1  VAL  37          2HG1      VAL  37   4.002   9.300 -11.506
 1420   3HG1  VAL  37          3HG1      VAL  37   4.123   7.850 -12.503
 1421   1HG2  VAL  37          1HG2      VAL  37   2.879   5.598  -9.746
 1422   2HG2  VAL  37          2HG2      VAL  37   4.501   5.908 -10.366
 1423   3HG2  VAL  37          3HG2      VAL  37   3.177   5.578 -11.484
 1424    H    ARG  38           H        ARG  38   3.757  10.110  -7.686
 1425    HA   ARG  38           HA       ARG  38   1.907  12.012  -9.085
 1426   1HB   ARG  38          1HB       ARG  38   1.323  11.378  -6.752
 1427   2HB   ARG  38          2HB       ARG  38   2.910  11.930  -6.215
 1428   1HG   ARG  38          1HG       ARG  38   1.482  13.768  -5.780
 1429   2HG   ARG  38          2HG       ARG  38   2.277  14.191  -7.296
 1430   1HD   ARG  38          1HD       ARG  38   0.348  13.816  -8.563
 1431   2HD   ARG  38          2HD       ARG  38  -0.328  12.683  -7.378
 1432    HE   ARG  38           HE       ARG  38  -0.055  15.156  -6.050
 1433   1HH1  ARG  38          1HH1      ARG  38  -1.784  13.858  -8.778
 1434   2HH1  ARG  38          2HH1      ARG  38  -3.105  14.961  -8.605
 1435   1HH2  ARG  38          1HH2      ARG  38  -1.780  16.576  -5.845
 1436   2HH2  ARG  38          2HH2      ARG  38  -3.105  16.490  -6.957
 1437    H    HIS  39           H        HIS  39   2.694  14.206  -9.341
 1438    HA   HIS  39           HA       HIS  39   5.424  14.473 -10.114
 1439   1HB   HIS  39          1HB       HIS  39   3.026  16.176  -9.680
 1440   2HB   HIS  39          2HB       HIS  39   4.571  17.026  -9.670
 1441    HD1  HIS  39           HD1      HIS  39   3.274  17.940 -12.009
 1442    HD2  HIS  39           HD2      HIS  39   4.975  14.134 -12.051
 1443    HE1  HIS  39           HE1      HIS  39   3.579  17.318 -14.446
 1444    H    ASN  40           H        ASN  40   6.425  16.766  -8.977
 1445    HA   ASN  40           HA       ASN  40   6.913  15.917  -6.145
 1446   1HB   ASN  40          1HB       ASN  40   8.527  16.935  -8.415
 1447   2HB   ASN  40          2HB       ASN  40   8.955  17.604  -6.841
 1448   1HD2  ASN  40          1HD2      ASN  40   9.757  15.109  -8.869
 1449   2HD2  ASN  40          2HD2      ASN  40  10.260  13.959  -7.727
 1450    H    ASP  41           H        ASP  41   5.809  17.200  -4.738
 1451    HA   ASP  41           HA       ASP  41   6.183  20.053  -4.613
 1452   1HB   ASP  41          1HB       ASP  41   4.562  19.453  -6.636
 1453   2HB   ASP  41          2HB       ASP  41   3.364  19.297  -5.351
 1454    H    ASP  42           H        ASP  42   3.236  20.213  -3.547
 1455    HA   ASP  42           HA       ASP  42   3.676  19.797  -0.804
 1456   1HB   ASP  42          1HB       ASP  42   1.245  19.710  -2.606
 1457   2HB   ASP  42          2HB       ASP  42   1.084  19.515  -0.860
 1458    H    TRP  43           H        TRP  43   2.954  17.491  -3.323
 1459    HA   TRP  43           HA       TRP  43   2.024  15.265  -1.824
 1460   1HB   TRP  43          1HB       TRP  43   1.908  15.164  -4.181
 1461   2HB   TRP  43          2HB       TRP  43   3.550  15.761  -4.382
 1462    HD1  TRP  43           HD1      TRP  43   5.287  14.020  -4.965
 1463    HE1  TRP  43           HE1      TRP  43   5.457  11.454  -4.812
 1464    HE3  TRP  43           HE3      TRP  43   0.921  12.987  -2.522
 1465    HZ2  TRP  43           HZ2      TRP  43   3.946   9.258  -3.794
 1466    HZ3  TRP  43           HZ3      TRP  43   0.313  10.648  -1.973
 1467    HH2  TRP  43           HH2      TRP  43   1.819   8.783  -2.604
 1468    H    GLY  44           H        GLY  44   5.390  15.981  -2.865
 1469   1HA   GLY  44          1HA       GLY  44   6.630  13.920  -1.363
 1470   2HA   GLY  44          2HA       GLY  44   7.437  15.402  -1.876
 1471    H    THR  45           H        THR  45   5.733  17.229  -0.446
 1472    HA   THR  45           HA       THR  45   7.039  17.298   2.094
 1473    HB   THR  45           HB       THR  45   4.388  18.572   1.346
 1474    HG1  THR  45           HG1      THR  45   5.709  20.198   0.396
 1475   1HG2  THR  45          1HG2      THR  45   5.947  18.754   3.624
 1476   2HG2  THR  45          2HG2      THR  45   4.771  19.958   3.098
 1477   3HG2  THR  45          3HG2      THR  45   6.474  20.147   2.681
 1478    H    ALA  46           H        ALA  46   3.519  16.840   1.542
 1479    HA   ALA  46           HA       ALA  46   2.886  15.920   4.135
 1480   1HB   ALA  46          1HB       ALA  46   0.843  15.154   3.071
 1481   2HB   ALA  46          2HB       ALA  46   1.651  15.019   1.509
 1482   3HB   ALA  46          3HB       ALA  46   1.363  16.608   2.219
 1483    H    LEU  47           H        LEU  47   3.721  13.998   1.230
 1484    HA   LEU  47           HA       LEU  47   3.818  11.524   2.852
 1485   1HB   LEU  47          1HB       LEU  47   3.989  12.305  -0.057
 1486   2HB   LEU  47          2HB       LEU  47   4.499  10.694   0.443
 1487    HG   LEU  47           HG       LEU  47   2.131  10.685  -0.231
 1488   1HD1  LEU  47          1HD1      LEU  47   2.061  10.475   2.760
 1489   2HD1  LEU  47          2HD1      LEU  47   3.124   9.400   1.851
 1490   3HD1  LEU  47          3HD1      LEU  47   1.386   9.385   1.548
 1491   1HD2  LEU  47          1HD2      LEU  47   0.483  12.020   0.884
 1492   2HD2  LEU  47          2HD2      LEU  47   1.786  13.117   0.430
 1493   3HD2  LEU  47          3HD2      LEU  47   1.646  12.557   2.096
 1494    H    GLU  48           H        GLU  48   5.806  13.499   3.564
 1495    HA   GLU  48           HA       GLU  48   8.327  13.013   2.250
 1496   1HB   GLU  48          1HB       GLU  48   9.193  14.125   4.339
 1497   2HB   GLU  48          2HB       GLU  48   7.865  15.006   3.584
 1498   1HG   GLU  48          1HG       GLU  48   6.813  14.921   5.578
 1499   2HG   GLU  48          2HG       GLU  48   6.611  13.190   5.307
 1500    H    ASP  49           H        ASP  49   7.657  10.492   2.377
 1501    HA   ASP  49           HA       ASP  49   9.608   9.178   4.004
 1502   1HB   ASP  49          1HB       ASP  49   7.069   9.856   5.240
 1503   2HB   ASP  49          2HB       ASP  49   7.269   8.105   5.191
 1504    H    TYR  50           H        TYR  50   9.876   7.092   3.198
 1505    HA   TYR  50           HA       TYR  50   9.525   5.224   1.795
 1506   1HB   TYR  50          1HB       TYR  50   6.610   5.884   2.357
 1507   2HB   TYR  50          2HB       TYR  50   7.272   4.305   1.944
 1508    HD1  TYR  50           HD1      TYR  50   5.759   5.601   4.540
 1509    HD2  TYR  50           HD2      TYR  50   9.732   4.256   3.614
 1510    HE1  TYR  50           HE1      TYR  50   6.165   5.150   6.943
 1511    HE2  TYR  50           HE2      TYR  50  10.139   3.805   6.019
 1512    HH   TYR  50           HH       TYR  50   7.906   3.415   8.217
 1513    H    LEU  51           H        LEU  51   9.644   7.922   0.557
 1514    HA   LEU  51           HA       LEU  51   7.781   7.579  -1.755
 1515   1HB   LEU  51          1HB       LEU  51   9.194   9.827  -0.378
 1516   2HB   LEU  51          2HB       LEU  51   8.969   9.994  -2.115
 1517    HG   LEU  51           HG       LEU  51   6.808   9.599  -0.025
 1518   1HD1  LEU  51          1HD1      LEU  51   7.828  11.894  -0.404
 1519   2HD1  LEU  51          2HD1      LEU  51   6.091  11.798  -0.695
 1520   3HD1  LEU  51          3HD1      LEU  51   7.214  11.811  -2.055
 1521   1HD2  LEU  51          1HD2      LEU  51   5.991   8.346  -1.845
 1522   2HD2  LEU  51          2HD2      LEU  51   6.739   9.412  -3.034
 1523   3HD2  LEU  51          3HD2      LEU  51   5.320   9.951  -2.134
 1524    H    PHE  52           H        PHE  52   8.861   6.152  -3.150
 1525    HA   PHE  52           HA       PHE  52  11.744   6.542  -3.720
 1526   1HB   PHE  52          1HB       PHE  52   9.578   4.612  -4.620
 1527   2HB   PHE  52          2HB       PHE  52  11.222   4.557  -5.257
 1528    HD1  PHE  52           HD1      PHE  52  13.116   4.671  -3.347
 1529    HD2  PHE  52           HD2      PHE  52   9.094   3.268  -2.785
 1530    HE1  PHE  52           HE1      PHE  52  13.841   3.387  -1.353
 1531    HE2  PHE  52           HE2      PHE  52   9.820   1.984  -0.792
 1532    HZ   PHE  52           HZ       PHE  52  12.194   2.044  -0.076
 1533    H    SER  53           H        SER  53  11.984   8.422  -4.958
 1534    HA   SER  53           HA       SER  53  10.077   8.874  -7.202
 1535   1HB   SER  53          1HB       SER  53  10.334  10.720  -5.699
 1536   2HB   SER  53          2HB       SER  53  12.088  10.545  -5.675
 1537    HG   SER  53           HG       SER  53  11.573  12.222  -7.041
 1538    H    ARG  54           H        ARG  54  10.891   9.435  -9.304
 1539    HA   ARG  54           HA       ARG  54  13.651   8.403  -9.872
 1540   1HB   ARG  54          1HB       ARG  54  10.979   8.219 -11.259
 1541   2HB   ARG  54          2HB       ARG  54  12.459   8.087 -12.208
 1542   1HG   ARG  54          1HG       ARG  54  13.209   6.304 -10.541
 1543   2HG   ARG  54          2HG       ARG  54  11.556   6.318  -9.926
 1544   1HD   ARG  54          1HD       ARG  54  11.107   4.794 -11.563
 1545   2HD   ARG  54          2HD       ARG  54  11.234   6.152 -12.698
 1546    HE   ARG  54           HE       ARG  54  13.823   5.028 -11.917
 1547   1HH1  ARG  54          1HH1      ARG  54  11.135   4.835 -14.122
 1548   2HH1  ARG  54          2HH1      ARG  54  12.066   4.067 -15.361
 1549   1HH2  ARG  54          1HH2      ARG  54  15.009   4.031 -13.542
 1550   2HH2  ARG  54          2HH2      ARG  54  14.241   3.615 -15.038
 1551    H    LYS  55           H        LYS  55  14.213   9.382 -12.262
 1552    HA   LYS  55           HA       LYS  55  14.368  12.271 -11.866
 1553   1HB   LYS  55          1HB       LYS  55  15.992  10.447 -12.941
 1554   2HB   LYS  55          2HB       LYS  55  15.115  10.867 -14.412
 1555   1HG   LYS  55          1HG       LYS  55  16.089  12.916 -14.544
 1556   2HG   LYS  55          2HG       LYS  55  15.947  13.194 -12.808
 1557   1HD   LYS  55          1HD       LYS  55  18.041  12.406 -12.392
 1558   2HD   LYS  55          2HD       LYS  55  17.871  11.083 -13.546
 1559   1HE   LYS  55          1HE       LYS  55  18.048  12.953 -15.365
 1560   2HE   LYS  55          2HE       LYS  55  18.741  13.927 -14.055
 1561   1HZ   LYS  55          1HZ       LYS  55  19.626  11.159 -14.668
 1562   2HZ   LYS  55          2HZ       LYS  55  20.385  12.288 -13.652
 1563   3HZ   LYS  55          3HZ       LYS  55  20.378  12.529 -15.333
 1564    H    ASN  56           H        ASN  56  11.907  12.453 -11.933
 1565    HA   ASN  56           HA       ASN  56  10.526  12.092 -14.460
 1566   1HB   ASN  56          1HB       ASN  56  11.978  13.989 -15.032
 1567   2HB   ASN  56          2HB       ASN  56  10.320  14.568 -14.873
 1568   1HD2  ASN  56          1HD2      ASN  56  13.262  15.672 -14.213
 1569   2HD2  ASN  56          2HD2      ASN  56  13.014  16.429 -12.714
 1570    H    MET  57           H        MET  57  10.293  11.675 -11.469
 1571    HA   MET  57           HA       MET  57   8.304  13.508 -10.449
 1572   1HB   MET  57          1HB       MET  57   6.381  12.033 -10.809
 1573   2HB   MET  57          2HB       MET  57   7.111  12.444 -12.352
 1574   1HG   MET  57          1HG       MET  57   8.490  10.163 -11.527
 1575   2HG   MET  57          2HG       MET  57   6.818   9.840 -11.071
 1576   1HE   MET  57          1HE       MET  57   4.765  10.348 -14.100
 1577   2HE   MET  57          2HE       MET  57   5.577  11.902 -13.910
 1578   3HE   MET  57          3HE       MET  57   5.062  10.996 -12.487
 1579    H    SER  58           H        SER  58   6.927  12.094  -8.684
 1580    HA   SER  58           HA       SER  58   8.957  10.453  -7.207
 1581   1HB   SER  58          1HB       SER  58   7.437  11.339  -5.237
 1582   2HB   SER  58          2HB       SER  58   8.624  12.422  -5.964
 1583    HG   SER  58           HG       SER  58   5.908  12.223  -6.749
 1584    H    ALA  59           H        ALA  59   8.195   8.528  -6.209
 1585    HA   ALA  59           HA       ALA  59   5.351   7.787  -6.785
 1586   1HB   ALA  59          1HB       ALA  59   6.172   5.596  -7.503
 1587   2HB   ALA  59          2HB       ALA  59   7.821   6.042  -7.065
 1588   3HB   ALA  59          3HB       ALA  59   7.018   6.848  -8.413
 1589    H    MET  60           H        MET  60   4.313   6.890  -5.019
 1590    HA   MET  60           HA       MET  60   5.855   6.528  -2.520
 1591   1HB   MET  60          1HB       MET  60   3.376   7.520  -3.163
 1592   2HB   MET  60          2HB       MET  60   2.964   5.887  -2.646
 1593   1HG   MET  60          1HG       MET  60   4.917   7.025  -0.844
 1594   2HG   MET  60          2HG       MET  60   3.540   8.116  -0.997
 1595   1HE   MET  60          1HE       MET  60   3.963   7.614   1.377
 1596   2HE   MET  60          2HE       MET  60   3.340   6.243   2.295
 1597   3HE   MET  60          3HE       MET  60   2.237   7.492   1.716
 1598    H    ALA  61           H        ALA  61   5.820   4.511  -1.334
 1599    HA   ALA  61           HA       ALA  61   5.784   2.136  -3.063
 1600   1HB   ALA  61          1HB       ALA  61   6.190   1.426  -0.368
 1601   2HB   ALA  61          2HB       ALA  61   6.876   3.043  -0.519
 1602   3HB   ALA  61          3HB       ALA  61   7.445   1.743  -1.566
 1603    H    LEU  62           H        LEU  62   3.545   1.808  -3.546
 1604    HA   LEU  62           HA       LEU  62   1.400   0.906  -3.168
 1605   1HB   LEU  62          1HB       LEU  62   1.132   1.954  -0.461
 1606   2HB   LEU  62          2HB       LEU  62   1.895   3.139  -1.517
 1607    HG   LEU  62           HG       LEU  62  -0.774   1.763  -1.948
 1608   1HD1  LEU  62          1HD1      LEU  62  -0.861   3.636  -0.389
 1609   2HD1  LEU  62          2HD1      LEU  62  -1.581   4.134  -1.918
 1610   3HD1  LEU  62          3HD1      LEU  62   0.055   4.647  -1.504
 1611   1HD2  LEU  62          1HD2      LEU  62   1.070   3.114  -3.828
 1612   2HD2  LEU  62          2HD2      LEU  62  -0.601   3.674  -3.889
 1613   3HD2  LEU  62          3HD2      LEU  62  -0.233   1.971  -4.156
 1614    H    GLY  63           H        GLY  63   2.770  -1.193  -2.924
 1615   1HA   GLY  63          1HA       GLY  63   1.675  -2.735  -0.787
 1616   2HA   GLY  63          2HA       GLY  63   2.964  -3.272  -1.862
 1617    H    PHE  64           H        PHE  64   4.133  -4.241  -0.135
 1618    HA   PHE  64           HA       PHE  64   4.888  -2.758   2.251
 1619   1HB   PHE  64          1HB       PHE  64   5.585  -5.376   0.920
 1620   2HB   PHE  64          2HB       PHE  64   6.484  -4.842   2.339
 1621    HD1  PHE  64           HD1      PHE  64   5.495  -4.871   4.529
 1622    HD2  PHE  64           HD2      PHE  64   3.110  -5.714   1.057
 1623    HE1  PHE  64           HE1      PHE  64   3.648  -5.654   5.988
 1624    HE2  PHE  64           HE2      PHE  64   1.264  -6.497   2.516
 1625    HZ   PHE  64           HZ       PHE  64   1.533  -6.467   4.981
 1626    H    GLY  65           H        GLY  65   5.647  -0.997   0.382
 1627   1HA   GLY  65          1HA       GLY  65   8.462  -1.488  -0.381
 1628   2HA   GLY  65          2HA       GLY  65   7.490  -0.098  -0.862
 1629    H    ALA  66           H        ALA  66   6.599   0.207   2.027
 1630    HA   ALA  66           HA       ALA  66   8.797   1.977   2.838
 1631   1HB   ALA  66          1HB       ALA  66   6.170   1.239   4.182
 1632   2HB   ALA  66          2HB       ALA  66   6.352   2.519   2.983
 1633   3HB   ALA  66          3HB       ALA  66   7.161   2.652   4.545
 1634    H    ILE  67           H        ILE  67   7.226  -0.963   4.120
 1635    HA   ILE  67           HA       ILE  67   8.530  -1.240   6.576
 1636    HB   ILE  67           HB       ILE  67   8.254  -3.730   6.085
 1637   1HG1  ILE  67          1HG1      ILE  67   6.672  -3.527   3.750
 1638   2HG1  ILE  67          2HG1      ILE  67   8.182  -2.694   3.391
 1639   1HG2  ILE  67          1HG2      ILE  67   6.066  -3.518   6.631
 1640   2HG2  ILE  67          2HG2      ILE  67   5.704  -2.573   5.187
 1641   3HG2  ILE  67          3HG2      ILE  67   6.385  -1.784   6.609
 1642   1HD1  ILE  67          1HD1      ILE  67   7.685  -5.559   3.874
 1643   2HD1  ILE  67          2HD1      ILE  67   9.089  -4.910   4.721
 1644   3HD1  ILE  67          3HD1      ILE  67   8.979  -4.780   2.966
 1645    H    PHE  68           H        PHE  68   9.869  -1.750   3.348
 1646    HA   PHE  68           HA       PHE  68  12.126  -3.323   3.948
 1647   1HB   PHE  68          1HB       PHE  68  11.535  -1.098   1.989
 1648   2HB   PHE  68          2HB       PHE  68  13.092  -1.923   1.980
 1649    HD1  PHE  68           HD1      PHE  68  10.289  -1.886   0.165
 1650    HD2  PHE  68           HD2      PHE  68  12.463  -4.680   2.598
 1651    HE1  PHE  68           HE1      PHE  68   9.292  -3.768  -1.105
 1652    HE2  PHE  68           HE2      PHE  68  11.465  -6.562   1.328
 1653    HZ   PHE  68           HZ       PHE  68   9.880  -6.106  -0.523
 1654    H    ASN  69           H        ASN  69  14.131  -2.882   4.850
 1655    HA   ASN  69           HA       ASN  69  14.554  -0.106   5.907
 1656   1HB   ASN  69          1HB       ASN  69  15.394  -2.827   6.979
 1657   2HB   ASN  69          2HB       ASN  69  15.738  -1.282   7.758
 1658   1HD2  ASN  69          1HD2      ASN  69  14.137  -3.338   9.025
 1659   2HD2  ASN  69          2HD2      ASN  69  12.555  -2.740   9.179
 1660    H    HIS  70           H        HIS  70  17.113  -0.002   6.507
 1661    HA   HIS  70           HA       HIS  70  18.511  -0.589   3.938
 1662   1HB   HIS  70          1HB       HIS  70  18.295   1.730   5.067
 1663   2HB   HIS  70          2HB       HIS  70  19.455   1.124   6.250
 1664    HD1  HIS  70           HD1      HIS  70  19.138   2.073   2.625
 1665    HD2  HIS  70           HD2      HIS  70  22.099   0.778   5.259
 1666    HE1  HIS  70           HE1      HIS  70  21.347   2.372   1.423
 1667    H    SER  71           H        SER  71  19.954  -2.252   3.900
 1668    HA   SER  71           HA       SER  71  21.235  -3.084   6.480
 1669   1HB   SER  71          1HB       SER  71  19.457  -4.639   5.915
 1670   2HB   SER  71          2HB       SER  71  20.004  -4.729   4.241
 1671    HG   SER  71           HG       SER  71  20.844  -6.116   6.393
 1672    H    LYS  72           H        LYS  72  23.439  -3.565   6.309
 1673    HA   LYS  72           HA       LYS  72  25.038  -2.469   4.288
 1674   1HB   LYS  72          1HB       LYS  72  25.337  -4.664   6.326
 1675   2HB   LYS  72          2HB       LYS  72  26.660  -4.353   5.202
 1676   1HG   LYS  72          1HG       LYS  72  25.478  -1.955   6.486
 1677   2HG   LYS  72          2HG       LYS  72  26.366  -3.035   7.560
 1678   1HD   LYS  72          1HD       LYS  72  28.348  -2.882   6.191
 1679   2HD   LYS  72          2HD       LYS  72  27.472  -2.015   4.929
 1680   1HE   LYS  72          1HE       LYS  72  27.243  -0.061   6.302
 1681   2HE   LYS  72          2HE       LYS  72  27.757  -0.941   7.754
 1682   1HZ   LYS  72          1HZ       LYS  72  29.560   0.380   6.670
 1683   2HZ   LYS  72          2HZ       LYS  72  29.431  -0.635   5.315
 1684   3HZ   LYS  72          3HZ       LYS  72  29.911  -1.276   6.813
 1685    H    ASP  73           H        ASP  73  23.509  -5.655   4.402
 1686    HA   ASP  73           HA       ASP  73  24.592  -6.198   1.655
 1687   1HB   ASP  73          1HB       ASP  73  24.384  -7.752   4.158
 1688   2HB   ASP  73          2HB       ASP  73  23.819  -8.624   2.733
 1689    HA   PRO  74           HA       PRO  74  20.024  -5.610   1.288
 1690   1HB   PRO  74          1HB       PRO  74  20.273  -5.159  -1.476
 1691   2HB   PRO  74          2HB       PRO  74  20.185  -3.900  -0.233
 1692   1HG   PRO  74          1HG       PRO  74  22.542  -5.007  -1.651
 1693   2HG   PRO  74          2HG       PRO  74  22.249  -3.368  -1.053
 1694   1HD   PRO  74          1HD       PRO  74  23.911  -5.108   0.187
 1695   2HD   PRO  74          2HD       PRO  74  22.982  -3.875   1.067
 1696    H    ASN  75           H        ASN  75  19.310  -7.735   1.458
 1697    HA   ASN  75           HA       ASN  75  20.265  -9.852  -0.309
 1698   1HB   ASN  75          1HB       ASN  75  17.922  -9.709   1.626
 1699   2HB   ASN  75          2HB       ASN  75  18.654 -11.185   0.998
 1700   1HD2  ASN  75          1HD2      ASN  75  18.687  -9.159   3.667
 1701   2HD2  ASN  75          2HD2      ASN  75  20.232  -9.525   4.266
 1702    H    ALA  76           H        ALA  76  17.744  -7.480  -0.469
 1703    HA   ALA  76           HA       ALA  76  16.692  -8.814  -2.927
 1704   1HB   ALA  76          1HB       ALA  76  15.441  -8.715  -0.398
 1705   2HB   ALA  76          2HB       ALA  76  14.687  -9.172  -1.926
 1706   3HB   ALA  76          3HB       ALA  76  14.614  -7.499  -1.373
 1707    H    ARG  77           H        ARG  77  15.343  -7.231  -4.227
 1708    HA   ARG  77           HA       ARG  77  16.115  -4.381  -3.729
 1709   1HB   ARG  77          1HB       ARG  77  17.343  -6.015  -5.541
 1710   2HB   ARG  77          2HB       ARG  77  16.035  -5.368  -6.532
 1711   1HG   ARG  77          1HG       ARG  77  16.830  -3.077  -5.392
 1712   2HG   ARG  77          2HG       ARG  77  18.355  -3.957  -5.291
 1713   1HD   ARG  77          1HD       ARG  77  18.645  -3.970  -7.579
 1714   2HD   ARG  77          2HD       ARG  77  16.905  -4.087  -7.899
 1715    HE   ARG  77           HE       ARG  77  16.807  -1.723  -7.857
 1716   1HH1  ARG  77          1HH1      ARG  77  19.709  -2.864  -6.310
 1717   2HH1  ARG  77          2HH1      ARG  77  20.350  -1.273  -6.092
 1718   1HH2  ARG  77          1HH2      ARG  77  17.660   0.333  -7.562
 1719   2HH2  ARG  77          2HH2      ARG  77  19.201   0.525  -6.795
 1720    H    HIS  78           H        HIS  78  14.877  -3.302  -5.994
 1721    HA   HIS  78           HA       HIS  78  12.063  -4.293  -5.928
 1722   1HB   HIS  78          1HB       HIS  78  11.335  -1.954  -5.446
 1723   2HB   HIS  78          2HB       HIS  78  12.337  -2.607  -4.151
 1724    HD1  HIS  78           HD1      HIS  78  14.867  -1.796  -4.090
 1725    HD2  HIS  78           HD2      HIS  78  12.425   0.273  -6.760
 1726    HE1  HIS  78           HE1      HIS  78  16.127   0.306  -4.731
 1727    H    GLU  79           H        GLU  79  10.745  -3.253  -7.678
 1728    HA   GLU  79           HA       GLU  79  12.319  -1.968  -9.856
 1729   1HB   GLU  79          1HB       GLU  79  12.366  -4.486 -10.067
 1730   2HB   GLU  79          2HB       GLU  79  10.610  -4.457 -10.193
 1731   1HG   GLU  79          1HG       GLU  79  10.770  -3.019 -12.190
 1732   2HG   GLU  79          2HG       GLU  79  12.529  -3.035 -12.063
 1733    H    LEU  80           H        LEU  80  11.089  -0.128 -10.172
 1734    HA   LEU  80           HA       LEU  80   8.148  -0.236  -9.843
 1735   1HB   LEU  80          1HB       LEU  80  10.048   2.026 -10.569
 1736   2HB   LEU  80          2HB       LEU  80   8.377   2.205 -10.040
 1737    HG   LEU  80           HG       LEU  80   9.564   0.610  -8.072
 1738   1HD1  LEU  80          1HD1      LEU  80  11.800   1.058  -8.673
 1739   2HD1  LEU  80          2HD1      LEU  80  11.468   2.261  -7.427
 1740   3HD1  LEU  80          3HD1      LEU  80  11.438   2.723  -9.129
 1741   1HD2  LEU  80          1HD2      LEU  80   7.914   2.654  -8.058
 1742   2HD2  LEU  80          2HD2      LEU  80   9.383   3.601  -7.822
 1743   3HD2  LEU  80          3HD2      LEU  80   8.936   2.361  -6.651
 1744    H    THR  81           H        THR  81   8.516  -1.820 -11.929
 1745    HA   THR  81           HA       THR  81   8.289  -2.135 -14.265
 1746    HB   THR  81           HB       THR  81   6.515  -0.157 -14.972
 1747    HG1  THR  81           HG1      THR  81   5.343   0.354 -13.153
 1748   1HG2  THR  81          1HG2      THR  81   6.173  -2.616 -15.024
 1749   2HG2  THR  81          2HG2      THR  81   4.781  -1.771 -14.346
 1750   3HG2  THR  81          3HG2      THR  81   5.915  -2.600 -13.279
 1751    H    ALA  82           H        ALA  82  10.482  -0.243 -13.440
 1752    HA   ALA  82           HA       ALA  82  11.956   1.290 -14.465
 1753   1HB   ALA  82          1HB       ALA  82  11.764   0.974 -17.079
 1754   2HB   ALA  82          2HB       ALA  82  10.610  -0.289 -16.650
 1755   3HB   ALA  82          3HB       ALA  82  12.277  -0.387 -16.081
 1756    H    GLY  83           H        GLY  83   9.038   2.142 -13.930
 1757   1HA   GLY  83          1HA       GLY  83   9.260   4.751 -15.181
 1758   2HA   GLY  83          2HA       GLY  83   7.979   3.786 -15.911
 1759    H    LEU  84           H        LEU  84   8.800   3.447 -12.513
 1760    HA   LEU  84           HA       LEU  84   7.469   3.820 -10.591
 1761   1HB   LEU  84          1HB       LEU  84   6.951   6.257 -12.329
 1762   2HB   LEU  84          2HB       LEU  84   6.457   6.149 -10.640
 1763    HG   LEU  84           HG       LEU  84   9.296   5.932 -11.685
 1764   1HD1  LEU  84          1HD1      LEU  84   7.612   8.121 -10.643
 1765   2HD1  LEU  84          2HD1      LEU  84   9.068   8.198 -11.635
 1766   3HD1  LEU  84          3HD1      LEU  84   9.201   7.997  -9.888
 1767   1HD2  LEU  84          1HD2      LEU  84   9.657   4.780  -9.771
 1768   2HD2  LEU  84          2HD2      LEU  84   8.034   5.126  -9.174
 1769   3HD2  LEU  84          3HD2      LEU  84   9.333   6.293  -8.924
 1770    H    LYS  85           H        LYS  85   5.884   2.150 -10.784
 1771    HA   LYS  85           HA       LYS  85   3.161   2.974 -11.103
 1772   1HB   LYS  85          1HB       LYS  85   4.660   2.163 -13.486
 1773   2HB   LYS  85          2HB       LYS  85   3.197   1.203 -13.256
 1774   1HG   LYS  85          1HG       LYS  85   2.857   4.090 -12.762
 1775   2HG   LYS  85          2HG       LYS  85   3.252   3.687 -14.429
 1776   1HD   LYS  85          1HD       LYS  85   1.185   2.845 -14.783
 1777   2HD   LYS  85          2HD       LYS  85   1.273   1.859 -13.323
 1778   1HE   LYS  85          1HE       LYS  85   1.004   4.442 -12.320
 1779   2HE   LYS  85          2HE       LYS  85  -0.067   4.434 -13.735
 1780   1HZ   LYS  85          1HZ       LYS  85  -0.814   2.177 -12.904
 1781   2HZ   LYS  85          2HZ       LYS  85  -1.328   3.511 -11.988
 1782   3HZ   LYS  85          3HZ       LYS  85  -0.038   2.552 -11.440
 1783    H    ARG  86           H        ARG  86   5.488   0.302 -11.215
 1784    HA   ARG  86           HA       ARG  86   3.675  -1.264  -9.445
 1785   1HB   ARG  86          1HB       ARG  86   4.366  -1.757 -12.257
 1786   2HB   ARG  86          2HB       ARG  86   4.719  -3.139 -11.221
 1787   1HG   ARG  86          1HG       ARG  86   2.528  -3.650 -11.178
 1788   2HG   ARG  86          2HG       ARG  86   2.190  -2.094 -10.421
 1789   1HD   ARG  86          1HD       ARG  86   1.471  -1.159 -12.390
 1790   2HD   ARG  86          2HD       ARG  86   2.698  -2.007 -13.350
 1791    HE   ARG  86           HE       ARG  86   0.747  -3.838 -12.211
 1792   1HH1  ARG  86          1HH1      ARG  86   1.357  -1.606 -14.812
 1793   2HH1  ARG  86          2HH1      ARG  86   0.255  -2.388 -15.889
 1794   1HH2  ARG  86          1HH2      ARG  86  -0.680  -4.837 -13.629
 1795   2HH2  ARG  86          2HH2      ARG  86  -0.891  -4.204 -15.227
 1796    H    MET  87           H        MET  87   5.105  -1.247  -7.692
 1797    HA   MET  87           HA       MET  87   7.985  -1.628  -8.053
 1798   1HB   MET  87          1HB       MET  87   6.059  -0.833  -6.020
 1799   2HB   MET  87          2HB       MET  87   7.244  -1.955  -5.352
 1800   1HG   MET  87          1HG       MET  87   9.050  -0.520  -6.390
 1801   2HG   MET  87          2HG       MET  87   7.797   0.654  -6.791
 1802   1HE   MET  87          1HE       MET  87   7.761  -1.424  -3.123
 1803   2HE   MET  87          2HE       MET  87   9.382  -0.789  -2.839
 1804   3HE   MET  87          3HE       MET  87   9.034  -1.693  -4.314
 1805    H    ARG  88           H        ARG  88   8.847  -3.637  -8.377
 1806    HA   ARG  88           HA       ARG  88   7.422  -6.006  -7.213
 1807   1HB   ARG  88          1HB       ARG  88   9.472  -5.846  -9.456
 1808   2HB   ARG  88          2HB       ARG  88   8.501  -7.250  -9.022
 1809   1HG   ARG  88          1HG       ARG  88   6.705  -6.496 -10.176
 1810   2HG   ARG  88          2HG       ARG  88   6.884  -4.857  -9.552
 1811   1HD   ARG  88          1HD       ARG  88   7.436  -4.448 -11.768
 1812   2HD   ARG  88          2HD       ARG  88   9.039  -4.945 -11.195
 1813    HE   ARG  88           HE       ARG  88   8.779  -6.919 -12.460
 1814   1HH1  ARG  88          1HH1      ARG  88   5.673  -5.533 -11.717
 1815   2HH1  ARG  88          2HH1      ARG  88   4.803  -6.719 -12.628
 1816   1HH2  ARG  88          1HH2      ARG  88   7.628  -8.446 -13.635
 1817   2HH2  ARG  88          2HH2      ARG  88   5.900  -8.357 -13.706
 1818    H    ILE  89           H        ILE  89   8.472  -6.998  -5.530
 1819    HA   ILE  89           HA       ILE  89  11.220  -6.157  -4.849
 1820    HB   ILE  89           HB       ILE  89   9.176  -7.988  -3.538
 1821   1HG1  ILE  89          1HG1      ILE  89   9.943  -5.367  -2.376
 1822   2HG1  ILE  89          2HG1      ILE  89   9.003  -5.299  -3.866
 1823   1HG2  ILE  89          1HG2      ILE  89  11.572  -6.728  -2.205
 1824   2HG2  ILE  89          2HG2      ILE  89  11.686  -8.309  -2.979
 1825   3HG2  ILE  89          3HG2      ILE  89  10.574  -8.064  -1.633
 1826   1HD1  ILE  89          1HD1      ILE  89   8.142  -7.144  -1.657
 1827   2HD1  ILE  89          2HD1      ILE  89   7.166  -6.380  -2.912
 1828   3HD1  ILE  89          3HD1      ILE  89   7.758  -5.425  -1.553
 1829    H    PHE  90           H        PHE  90  12.903  -7.269  -5.731
 1830    HA   PHE  90           HA       PHE  90  12.493 -10.130  -6.502
 1831   1HB   PHE  90          1HB       PHE  90  14.154  -7.812  -7.446
 1832   2HB   PHE  90          2HB       PHE  90  14.759  -9.443  -7.735
 1833    HD1  PHE  90           HD1      PHE  90  13.542 -11.006  -9.183
 1834    HD2  PHE  90           HD2      PHE  90  12.125  -7.005  -8.526
 1835    HE1  PHE  90           HE1      PHE  90  11.998 -11.238 -11.109
 1836    HE2  PHE  90           HE2      PHE  90  10.580  -7.236 -10.453
 1837    HZ   PHE  90           HZ       PHE  90  10.517  -9.352 -11.744
 1838    H    THR  91           H        THR  91  14.956 -11.146  -6.518
 1839    HA   THR  91           HA       THR  91  16.124 -10.610  -3.809
 1840    HB   THR  91           HB       THR  91  16.425 -13.155  -3.774
 1841    HG1  THR  91           HG1      THR  91  15.281 -14.313  -5.249
 1842   1HG2  THR  91          1HG2      THR  91  14.542 -11.782  -2.665
 1843   2HG2  THR  91          2HG2      THR  91  14.252 -13.506  -2.891
 1844   3HG2  THR  91          3HG2      THR  91  13.526 -12.339  -3.995
 1845    H    ILE  92           H        ILE  92  17.910  -9.465  -4.750
 1846    HA   ILE  92           HA       ILE  92  19.431 -10.255  -6.998
 1847    HB   ILE  92           HB       ILE  92  21.157  -8.807  -5.956
 1848   1HG1  ILE  92          1HG1      ILE  92  19.552  -8.270  -3.543
 1849   2HG1  ILE  92          2HG1      ILE  92  20.285  -9.872  -3.579
 1850   1HG2  ILE  92          1HG2      ILE  92  18.908  -7.230  -5.064
 1851   2HG2  ILE  92          2HG2      ILE  92  18.474  -8.117  -6.526
 1852   3HG2  ILE  92          3HG2      ILE  92  19.875  -7.046  -6.528
 1853   1HD1  ILE  92          1HD1      ILE  92  22.314  -8.211  -4.501
 1854   2HD1  ILE  92          2HD1      ILE  92  22.184  -8.870  -2.871
 1855   3HD1  ILE  92          3HD1      ILE  92  21.552  -7.262  -3.225
 1856    H    LYS  93           H        LYS  93  19.265 -11.673  -3.834
 1857    HA   LYS  93           HA       LYS  93  21.310 -13.673  -4.645
 1858   1HB   LYS  93          1HB       LYS  93  22.395 -13.364  -2.394
 1859   2HB   LYS  93          2HB       LYS  93  22.520 -11.935  -3.419
 1860   1HG   LYS  93          1HG       LYS  93  21.331 -10.693  -1.958
 1861   2HG   LYS  93          2HG       LYS  93  20.057 -11.908  -1.872
 1862   1HD   LYS  93          1HD       LYS  93  21.004 -11.688   0.340
 1863   2HD   LYS  93          2HD       LYS  93  21.547 -13.232  -0.318
 1864   1HE   LYS  93          1HE       LYS  93  23.654 -12.000  -1.105
 1865   2HE   LYS  93          2HE       LYS  93  23.125 -10.655  -0.077
 1866   1HZ   LYS  93          1HZ       LYS  93  24.461 -12.066   1.270
 1867   2HZ   LYS  93          2HZ       LYS  93  23.657 -13.463   0.736
 1868   3HZ   LYS  93          3HZ       LYS  93  22.851 -12.349   1.732
 1869    HA   PRO  94           HA       PRO  94  18.341 -16.495  -3.004
 1870   1HB   PRO  94          1HB       PRO  94  20.664 -17.968  -1.876
 1871   2HB   PRO  94          2HB       PRO  94  19.393 -18.544  -2.967
 1872   1HG   PRO  94          1HG       PRO  94  21.908 -18.032  -3.792
 1873   2HG   PRO  94          2HG       PRO  94  20.494 -17.833  -4.834
 1874   1HD   PRO  94          1HD       PRO  94  22.198 -15.783  -3.557
 1875   2HD   PRO  94          2HD       PRO  94  21.211 -15.681  -5.029
 1876    H    ILE  95           H        ILE  95  17.290 -16.685  -1.004
 1877    HA   ILE  95           HA       ILE  95  18.695 -15.429   1.324
 1878    HB   ILE  95           HB       ILE  95  15.763 -15.757   0.586
 1879   1HG1  ILE  95          1HG1      ILE  95  17.077 -13.113   0.983
 1880   2HG1  ILE  95          2HG1      ILE  95  17.504 -14.002  -0.479
 1881   1HG2  ILE  95          1HG2      ILE  95  15.972 -13.868   2.616
 1882   2HG2  ILE  95          2HG2      ILE  95  17.092 -15.135   3.117
 1883   3HG2  ILE  95          3HG2      ILE  95  15.401 -15.526   2.809
 1884   1HD1  ILE  95          1HD1      ILE  95  14.625 -13.624   0.351
 1885   2HD1  ILE  95          2HD1      ILE  95  15.259 -14.050  -1.239
 1886   3HD1  ILE  95          3HD1      ILE  95  15.471 -12.414  -0.614
 1887    H    ALA  96           H        ALA  96  18.534 -16.441   3.373
 1888    HA   ALA  96           HA       ALA  96  18.074 -19.372   3.281
 1889   1HB   ALA  96          1HB       ALA  96  19.436 -17.363   5.074
 1890   2HB   ALA  96          2HB       ALA  96  20.130 -18.776   4.277
 1891   3HB   ALA  96          3HB       ALA  96  19.086 -18.981   5.684
 1892    H    ILE  97           H        ILE  97  16.728 -20.390   4.947
 1893    HA   ILE  97           HA       ILE  97  14.215 -19.100   5.400
 1894    HB   ILE  97           HB       ILE  97  15.605 -21.488   6.666
 1895   1HG1  ILE  97          1HG1      ILE  97  13.342 -21.647   4.716
 1896   2HG1  ILE  97          2HG1      ILE  97  14.937 -21.222   4.100
 1897   1HG2  ILE  97          1HG2      ILE  97  12.758 -21.715   6.702
 1898   2HG2  ILE  97          2HG2      ILE  97  13.184 -20.172   7.443
 1899   3HG2  ILE  97          3HG2      ILE  97  13.861 -21.671   8.077
 1900   1HD1  ILE  97          1HD1      ILE  97  14.174 -23.770   4.337
 1901   2HD1  ILE  97          2HD1      ILE  97  14.748 -23.531   5.987
 1902   3HD1  ILE  97          3HD1      ILE  97  15.843 -23.280   4.628
 1903    H    GLY  98           H        GLY  98  14.020 -17.326   6.710
 1904   1HA   GLY  98          1HA       GLY  98  13.839 -16.475   8.995
 1905   2HA   GLY  98          2HA       GLY  98  15.227 -17.471   9.433
 1906    H    GLU  99           H        GLU  99  14.974 -15.449   6.545
 1907    HA   GLU  99           HA       GLU  99  17.419 -13.993   7.419
 1908   1HB   GLU  99          1HB       GLU  99  16.492 -15.224   5.078
 1909   2HB   GLU  99          2HB       GLU  99  16.347 -13.505   4.740
 1910   1HG   GLU  99          1HG       GLU  99  18.843 -14.963   5.657
 1911   2HG   GLU  99          2HG       GLU  99  18.560 -14.272   4.061
 1912    H    GLU 100           H        GLU 100  17.483 -11.643   7.203
 1913    HA   GLU 100           HA       GLU 100  14.834 -10.360   7.632
 1914   1HB   GLU 100          1HB       GLU 100  17.142 -10.133   8.971
 1915   2HB   GLU 100          2HB       GLU 100  17.462  -8.917   7.734
 1916   1HG   GLU 100          1HG       GLU 100  14.766  -8.617   8.725
 1917   2HG   GLU 100          2HG       GLU 100  15.900  -8.613  10.075
 1918    H    ILE 101           H        ILE 101  13.859  -9.632   5.789
 1919    HA   ILE 101           HA       ILE 101  15.480  -8.988   3.410
 1920    HB   ILE 101           HB       ILE 101  12.474  -8.829   3.801
 1921   1HG1  ILE 101          1HG1      ILE 101  14.183 -11.223   3.054
 1922   2HG1  ILE 101          2HG1      ILE 101  13.236 -11.045   4.529
 1923   1HG2  ILE 101          1HG2      ILE 101  12.339  -8.709   1.517
 1924   2HG2  ILE 101          2HG2      ILE 101  13.763  -9.722   1.280
 1925   3HG2  ILE 101          3HG2      ILE 101  13.952  -8.018   1.694
 1926   1HD1  ILE 101          1HD1      ILE 101  11.486 -10.524   2.348
 1927   2HD1  ILE 101          2HD1      ILE 101  11.447 -11.891   3.462
 1928   3HD1  ILE 101          3HD1      ILE 101  12.372 -12.000   1.964
 1929    H    THR 102           H        THR 102  16.163  -6.979   3.012
 1930    HA   THR 102           HA       THR 102  14.495  -4.618   3.621
 1931    HB   THR 102           HB       THR 102  16.340  -3.602   4.958
 1932    HG1  THR 102           HG1      THR 102  18.032  -4.808   4.042
 1933   1HG2  THR 102          1HG2      THR 102  15.684  -6.326   6.094
 1934   2HG2  THR 102          2HG2      THR 102  14.491  -5.030   6.001
 1935   3HG2  THR 102          3HG2      THR 102  15.949  -4.820   6.972
 1936    H    ILE 103           H        ILE 103  14.863  -3.096   1.994
 1937    HA   ILE 103           HA       ILE 103  17.138  -3.655   0.136
 1938    HB   ILE 103           HB       ILE 103  15.744  -2.469  -1.500
 1939   1HG1  ILE 103          1HG1      ILE 103  13.316  -2.101  -0.075
 1940   2HG1  ILE 103          2HG1      ILE 103  14.590  -1.346   0.884
 1941   1HG2  ILE 103          1HG2      ILE 103  14.162  -4.420   0.202
 1942   2HG2  ILE 103          2HG2      ILE 103  15.236  -4.835  -1.133
 1943   3HG2  ILE 103          3HG2      ILE 103  13.742  -3.951  -1.445
 1944   1HD1  ILE 103          1HD1      ILE 103  15.367  -0.364  -1.423
 1945   2HD1  ILE 103          2HD1      ILE 103  14.009   0.381  -0.581
 1946   3HD1  ILE 103          3HD1      ILE 103  13.714  -0.724  -1.923
 1947    H    SER 104           H        SER 104  18.427  -1.864  -0.626
 1948    HA   SER 104           HA       SER 104  18.915   0.179   1.413
 1949   1HB   SER 104          1HB       SER 104  20.203  -1.057  -0.877
 1950   2HB   SER 104          2HB       SER 104  20.373   0.697  -0.956
 1951    HG   SER 104           HG       SER 104  20.997  -0.947   1.270
 1952    H    TYR 105           H        TYR 105  19.628   2.383  -0.147
 1953    HA   TYR 105           HA       TYR 105  17.019   3.207  -1.377
 1954   1HB   TYR 105          1HB       TYR 105  18.905   4.849   0.356
 1955   2HB   TYR 105          2HB       TYR 105  17.327   5.359  -0.240
 1956    HD1  TYR 105           HD1      TYR 105  18.662   4.723   2.700
 1957    HD2  TYR 105           HD2      TYR 105  15.716   2.906   0.156
 1958    HE1  TYR 105           HE1      TYR 105  17.592   3.683   4.680
 1959    HE2  TYR 105           HE2      TYR 105  14.647   1.867   2.136
 1960    HH   TYR 105           HH       TYR 105  15.020   1.322   4.349
 1961    H    GLY 106           H        GLY 106  20.274   4.677  -1.006
 1962   1HA   GLY 106          1HA       GLY 106  21.497   4.382  -3.376
 1963   2HA   GLY 106          2HA       GLY 106  20.178   5.448  -3.860
 1964    H    ASP 107           H        ASP 107  22.484   6.598  -4.303
 1965    HA   ASP 107           HA       ASP 107  23.981   7.827  -2.269
 1966   1HB   ASP 107          1HB       ASP 107  23.230   8.347  -5.100
 1967   2HB   ASP 107          2HB       ASP 107  23.878   9.731  -4.220
 1968    H    ASP 108           H        ASP 108  20.872   8.851  -3.679
 1969    HA   ASP 108           HA       ASP 108  20.617  11.377  -2.415
 1970   1HB   ASP 108          1HB       ASP 108  18.492   9.283  -3.012
 1971   2HB   ASP 108          2HB       ASP 108  18.221  11.019  -2.857
 1972    H    TYR 109           H        TYR 109  19.091   8.310  -1.333
 1973    HA   TYR 109           HA       TYR 109  18.848   9.440   1.398
 1974   1HB   TYR 109          1HB       TYR 109  17.644   7.284  -0.265
 1975   2HB   TYR 109          2HB       TYR 109  17.720   6.964   1.469
 1976    HD1  TYR 109           HD1      TYR 109  17.155  10.065  -0.571
 1977    HD2  TYR 109           HD2      TYR 109  15.670   7.435   2.482
 1978    HE1  TYR 109           HE1      TYR 109  15.220  11.574  -0.214
 1979    HE2  TYR 109           HE2      TYR 109  13.734   8.945   2.840
 1980    HH   TYR 109           HH       TYR 109  12.572  10.921   0.942
 1981    H    TRP 110           H        TRP 110  21.515   9.026   0.875
 1982    HA   TRP 110           HA       TRP 110  22.282   7.150   2.926
 1983   1HB   TRP 110          1HB       TRP 110  21.557   5.766   0.843
 1984   2HB   TRP 110          2HB       TRP 110  23.066   6.329   0.124
 1985    HD1  TRP 110           HD1      TRP 110  24.777   4.482   0.345
 1986    HE1  TRP 110           HE1      TRP 110  25.553   2.894   2.226
 1987    HE3  TRP 110           HE3      TRP 110  21.419   5.724   3.979
 1988    HZ2  TRP 110           HZ2      TRP 110  24.835   2.241   4.923
 1989    HZ3  TRP 110           HZ3      TRP 110  21.483   4.610   6.191
 1990    HH2  TRP 110           HH2      TRP 110  23.184   2.871   6.668
 1991    H    LEU 111           H        LEU 111  24.814   6.767   2.715
 1992    HA   LEU 111           HA       LEU 111  26.110   9.309   2.714
 1993   1HB   LEU 111          1HB       LEU 111  26.764   6.433   2.937
 1994   2HB   LEU 111          2HB       LEU 111  28.100   7.434   2.369
 1995    HG   LEU 111           HG       LEU 111  26.747   8.769   4.538
 1996   1HD1  LEU 111          1HD1      LEU 111  26.034   6.751   5.499
 1997   2HD1  LEU 111          2HD1      LEU 111  27.608   6.995   6.256
 1998   3HD1  LEU 111          3HD1      LEU 111  27.442   5.864   4.913
 1999   1HD2  LEU 111          1HD2      LEU 111  28.892   9.344   4.959
 2000   2HD2  LEU 111          2HD2      LEU 111  29.323   8.421   3.519
 2001   3HD2  LEU 111          3HD2      LEU 111  29.383   7.656   5.107
 2002    H    SER 112           H        SER 112  28.454   8.981   1.243
 2003    HA   SER 112           HA       SER 112  27.682   9.859  -1.379
 2004   1HB   SER 112          1HB       SER 112  30.041   9.509   0.255
 2005   2HB   SER 112          2HB       SER 112  30.365   8.915  -1.373
 2006    HG   SER 112           HG       SER 112  30.731  11.011  -1.599
 2007    H    ARG 113           H        ARG 113  29.867   7.099  -0.860
 2008    HA   ARG 113           HA       ARG 113  28.111   5.296  -2.405
 2009   1HB   ARG 113          1HB       ARG 113  30.464   6.781  -3.450
 2010   2HB   ARG 113          2HB       ARG 113  30.405   5.070  -3.874
 2011   1HG   ARG 113          1HG       ARG 113  28.032   5.427  -4.649
 2012   2HG   ARG 113          2HG       ARG 113  28.271   7.157  -4.400
 2013   1HD   ARG 113          1HD       ARG 113  30.406   5.858  -5.982
 2014   2HD   ARG 113          2HD       ARG 113  28.813   5.875  -6.762
 2015    HE   ARG 113           HE       ARG 113  29.060   8.426  -5.703
 2016   1HH1  ARG 113          1HH1      ARG 113  30.999   6.440  -7.803
 2017   2HH1  ARG 113          2HH1      ARG 113  31.666   7.794  -8.649
 2018   1HH2  ARG 113          1HH2      ARG 113  29.939  10.167  -6.816
 2019   2HH2  ARG 113          2HH2      ARG 113  31.071   9.888  -8.096
 2020    HA   PRO 114           HA       PRO 114  31.054   3.369   0.680
 2021   1HB   PRO 114          1HB       PRO 114  29.107   2.055   2.125
 2022   2HB   PRO 114          2HB       PRO 114  29.680   3.686   2.520
 2023   1HG   PRO 114          1HG       PRO 114  27.214   2.829   1.093
 2024   2HG   PRO 114          2HG       PRO 114  27.451   4.158   2.236
 2025   1HD   PRO 114          1HD       PRO 114  27.291   4.494  -0.470
 2026   2HD   PRO 114          2HD       PRO 114  28.178   5.592   0.606
 2027    H    ARG 115           H        ARG 115  31.929   1.494  -0.087
 2028    HA   ARG 115           HA       ARG 115  30.078  -0.538  -1.286
 2029   1HB   ARG 115          1HB       ARG 115  32.828   0.386  -2.186
 2030   2HB   ARG 115          2HB       ARG 115  31.872  -0.870  -2.972
 2031   1HG   ARG 115          1HG       ARG 115  31.114   2.053  -2.667
 2032   2HG   ARG 115          2HG       ARG 115  31.557   1.235  -4.163
 2033   1HD   ARG 115          1HD       ARG 115  29.496  -0.353  -3.197
 2034   2HD   ARG 115          2HD       ARG 115  28.969   1.289  -2.782
 2035    HE   ARG 115           HE       ARG 115  28.810   1.761  -5.096
 2036   1HH1  ARG 115          1HH1      ARG 115  30.719  -1.097  -4.540
 2037   2HH1  ARG 115          2HH1      ARG 115  30.848  -1.471  -6.223
 2038   1HH2  ARG 115          1HH2      ARG 115  28.992   1.256  -7.273
 2039   2HH2  ARG 115          2HH2      ARG 115  29.878  -0.150  -7.762
 2040    H    LEU 116           H        LEU 116  30.176  -2.334   0.007
 2041    HA   LEU 116           HA       LEU 116  32.321  -2.871   1.859
 2042   1HB   LEU 116          1HB       LEU 116  30.064  -4.542   0.696
 2043   2HB   LEU 116          2HB       LEU 116  31.060  -5.053   2.059
 2044    HG   LEU 116           HG       LEU 116  29.874  -2.339   2.265
 2045   1HD1  LEU 116          1HD1      LEU 116  28.260  -4.859   2.061
 2046   2HD1  LEU 116          2HD1      LEU 116  27.868  -3.234   1.498
 2047   3HD1  LEU 116          3HD1      LEU 116  27.763  -3.621   3.215
 2048   1HD2  LEU 116          1HD2      LEU 116  29.338  -3.569   4.580
 2049   2HD2  LEU 116          2HD2      LEU 116  30.943  -2.932   4.222
 2050   3HD2  LEU 116          3HD2      LEU 116  30.609  -4.650   4.007
 2051    H    THR 117           H        THR 117  31.635  -3.913  -1.450
 2052    HA   THR 117           HA       THR 117  33.498  -6.089  -1.579
 2053    HB   THR 117           HB       THR 117  32.838  -4.254  -3.881
 2054    HG1  THR 117           HG1      THR 117  30.805  -4.523  -3.535
 2055   1HG2  THR 117          1HG2      THR 117  33.391  -7.159  -3.423
 2056   2HG2  THR 117          2HG2      THR 117  33.979  -6.095  -4.701
 2057   3HG2  THR 117          3HG2      THR 117  32.330  -6.717  -4.760
 2058    H    GLN 118           H        GLN 118  35.446  -5.870  -3.223
 2059    HA   GLN 118           HA       GLN 118  37.463  -4.247  -2.055
 2060   1HB   GLN 118          1HB       GLN 118  37.739  -6.308  -3.459
 2061   2HB   GLN 118          2HB       GLN 118  37.268  -5.369  -4.876
 2062   1HG   GLN 118          1HG       GLN 118  39.176  -3.813  -4.412
 2063   2HG   GLN 118          2HG       GLN 118  39.681  -4.883  -3.104
 2064   1HE2  GLN 118          1HE2      GLN 118  41.705  -4.989  -4.617
 2065   2HE2  GLN 118          2HE2      GLN 118  41.691  -6.187  -5.820
 2066    H    ASN 119           H        ASN 119  38.413  -2.270  -2.765
 2067    HA   ASN 119           HA       ASN 119  36.575  -0.398  -4.064
 2068   1HB   ASN 119          1HB       ASN 119  38.134   0.046  -2.108
 2069   2HB   ASN 119          2HB       ASN 119  39.481  -0.065  -3.240
 2070   1HD2  ASN 119          1HD2      ASN 119  36.232   1.496  -3.499
 2071   2HD2  ASN 119          2HD2      ASN 119  36.840   3.022  -3.929
 2072   1H    GLY 201          1H        GLY 201   1.204  12.565  12.343
 2073   2H    GLY 201          2H        GLY 201   0.662  12.197  13.910
 2074   3H    GLY 201          3H        GLY 201   0.463  11.069  12.657
 2075   1HA   GLY 201          1HA       GLY 201   2.282  10.208  13.733
 2076   2HA   GLY 201          2HA       GLY 201   3.026  11.196  12.476
 2077    H    LYS 202           H        LYS 202   4.184  10.520  15.072
 2078    HA   LYS 202           HA       LYS 202   4.130  13.136  16.507
 2079   1HB   LYS 202          1HB       LYS 202   4.743  10.275  17.121
 2080   2HB   LYS 202          2HB       LYS 202   5.619  11.494  18.047
 2081   1HG   LYS 202          1HG       LYS 202   2.606  11.490  17.722
 2082   2HG   LYS 202          2HG       LYS 202   3.436  10.752  19.092
 2083   1HD   LYS 202          1HD       LYS 202   4.578  13.017  19.435
 2084   2HD   LYS 202          2HD       LYS 202   3.406  13.669  18.289
 2085   1HE   LYS 202          1HE       LYS 202   1.937  12.095  20.152
 2086   2HE   LYS 202          2HE       LYS 202   3.032  13.129  21.088
 2087   1HZ   LYS 202          1HZ       LYS 202   2.342  14.990  19.614
 2088   2HZ   LYS 202          2HZ       LYS 202   1.077  14.391  20.575
 2089   3HZ   LYS 202          3HZ       LYS 202   1.165  13.974  18.931
 2090    H    ALA 203           H        ALA 203   5.686  14.542  15.779
 2091    HA   ALA 203           HA       ALA 203   8.243  13.453  14.710
 2092   1HB   ALA 203          1HB       ALA 203   6.821  16.130  14.637
 2093   2HB   ALA 203          2HB       ALA 203   7.096  15.021  13.293
 2094   3HB   ALA 203          3HB       ALA 203   8.449  15.907  13.996
 2095    HA   PRO 204           HA       PRO 204  10.048  14.395  18.706
 2096   1HB   PRO 204          1HB       PRO 204  12.610  14.247  17.206
 2097   2HB   PRO 204          2HB       PRO 204  12.084  13.318  18.621
 2098   1HG   PRO 204          1HG       PRO 204  12.239  12.243  16.162
 2099   2HG   PRO 204          2HG       PRO 204  11.031  11.734  17.350
 2100   1HD   PRO 204          1HD       PRO 204  10.710  13.433  14.931
 2101   2HD   PRO 204          2HD       PRO 204   9.570  12.294  15.677
 2102    H    ARG 205           H        ARG 205  12.416  15.859  18.963
 2103    HA   ARG 205           HA       ARG 205  11.596  18.548  18.709
 2104   1HB   ARG 205          1HB       ARG 205  13.623  17.201  19.884
 2105   2HB   ARG 205          2HB       ARG 205  14.498  17.867  18.505
 2106   1HG   ARG 205          1HG       ARG 205  14.380  19.993  19.307
 2107   2HG   ARG 205          2HG       ARG 205  12.716  19.791  19.854
 2108   1HD   ARG 205          1HD       ARG 205  13.397  18.788  21.903
 2109   2HD   ARG 205          2HD       ARG 205  15.036  18.483  21.299
 2110    HE   ARG 205           HE       ARG 205  14.486  21.285  21.115
 2111   1HH1  ARG 205          1HH1      ARG 205  15.057  18.789  23.473
 2112   2HH1  ARG 205          2HH1      ARG 205  15.730  19.883  24.630
 2113   1HH2  ARG 205          1HH2      ARG 205  15.362  22.686  22.634
 2114   2HH2  ARG 205          2HH2      ARG 205  15.902  22.073  24.161
 2115    H    LYS 206           H        LYS 206  13.095  16.421  16.358
 2116    HA   LYS 206           HA       LYS 206  14.183  18.309  14.540
 2117   1HB   LYS 206          1HB       LYS 206  13.375  15.509  14.656
 2118   2HB   LYS 206          2HB       LYS 206  13.066  16.191  13.060
 2119   1HG   LYS 206          1HG       LYS 206  15.268  16.232  12.574
 2120   2HG   LYS 206          2HG       LYS 206  15.641  17.063  14.084
 2121   1HD   LYS 206          1HD       LYS 206  16.762  14.869  13.999
 2122   2HD   LYS 206          2HD       LYS 206  15.558  14.903  15.287
 2123   1HE   LYS 206          1HE       LYS 206  14.062  14.035  13.135
 2124   2HE   LYS 206          2HE       LYS 206  15.630  13.257  12.845
 2125   1HZ   LYS 206          1HZ       LYS 206  15.647  12.448  15.094
 2126   2HZ   LYS 206          2HZ       LYS 206  14.180  11.980  14.377
 2127   3HZ   LYS 206          3HZ       LYS 206  14.216  13.285  15.464
 2128    H    GLN 207           H        GLN 207  13.243  19.603  12.961
 2129    HA   GLN 207           HA       GLN 207  10.275  19.389  12.590
 2130   1HB   GLN 207          1HB       GLN 207  10.940  21.199  14.169
 2131   2HB   GLN 207          2HB       GLN 207  11.977  21.889  12.920
 2132   1HG   GLN 207          1HG       GLN 207  10.220  22.795  11.793
 2133   2HG   GLN 207          2HG       GLN 207   9.202  21.379  12.055
 2134   1HE2  GLN 207          1HE2      GLN 207   7.498  21.715  13.490
 2135   2HE2  GLN 207          2HE2      GLN 207   7.453  22.917  14.687
 2136    H    LEU 208           H        LEU 208  13.267  20.881  11.291
 2137    HA   LEU 208           HA       LEU 208  12.060  20.812   8.563
 2138   1HB   LEU 208          1HB       LEU 208  13.575  22.656  10.036
 2139   2HB   LEU 208          2HB       LEU 208  14.720  21.990   8.872
 2140    HG   LEU 208           HG       LEU 208  12.155  22.508   7.615
 2141   1HD1  LEU 208          1HD1      LEU 208  13.577  24.921   8.773
 2142   2HD1  LEU 208          2HD1      LEU 208  12.092  24.247   9.446
 2143   3HD1  LEU 208          3HD1      LEU 208  12.098  24.916   7.814
 2144   1HD2  LEU 208          1HD2      LEU 208  14.279  22.199   6.419
 2145   2HD2  LEU 208          2HD2      LEU 208  14.949  23.623   7.214
 2146   3HD2  LEU 208          3HD2      LEU 208  13.615  23.795   6.074
 2147    H    ALA 209           H        ALA 209  12.546  18.993   7.400
 2148    HA   ALA 209           HA       ALA 209  15.330  18.102   7.158
 2149   1HB   ALA 209          1HB       ALA 209  14.725  17.011   9.231
 2150   2HB   ALA 209          2HB       ALA 209  14.679  15.773   7.976
 2151   3HB   ALA 209          3HB       ALA 209  13.178  16.486   8.567
 2152    H    THR 210           H        THR 210  13.640  19.073   5.181
 2153    HA   THR 210           HA       THR 210  12.921  16.596   3.646
 2154    HB   THR 210           HB       THR 210  11.671  19.369   3.568
 2155    HG1  THR 210           HG1      THR 210  10.711  16.940   4.673
 2156   1HG2  THR 210          1HG2      THR 210  11.166  18.477   1.487
 2157   2HG2  THR 210          2HG2      THR 210   9.835  17.818   2.437
 2158   3HG2  THR 210          3HG2      THR 210  11.237  16.813   2.068
 2159    H    LYS 211           H        LYS 211  15.528  17.597   3.484
 2160    HA   LYS 211           HA       LYS 211  15.534  19.050   0.858
 2161   1HB   LYS 211          1HB       LYS 211  17.073  19.244   3.394
 2162   2HB   LYS 211          2HB       LYS 211  18.024  19.410   1.918
 2163   1HG   LYS 211          1HG       LYS 211  15.451  20.940   2.272
 2164   2HG   LYS 211          2HG       LYS 211  16.963  21.554   2.940
 2165   1HD   LYS 211          1HD       LYS 211  16.769  20.677   0.058
 2166   2HD   LYS 211          2HD       LYS 211  16.316  22.309   0.549
 2167   1HE   LYS 211          1HE       LYS 211  18.521  22.815   1.291
 2168   2HE   LYS 211          2HE       LYS 211  18.990  21.105   1.310
 2169   1HZ   LYS 211          1HZ       LYS 211  18.252  22.716  -1.082
 2170   2HZ   LYS 211          2HZ       LYS 211  18.561  21.046  -1.102
 2171   3HZ   LYS 211          3HZ       LYS 211  19.802  22.135  -0.704
 2172    H    ALA 212           H        ALA 212  15.446  16.996  -0.309
 2173    HA   ALA 212           HA       ALA 212  18.078  15.844  -0.793
 2174   1HB   ALA 212          1HB       ALA 212  17.665  13.677   0.149
 2175   2HB   ALA 212          2HB       ALA 212  15.952  14.028   0.381
 2176   3HB   ALA 212          3HB       ALA 212  17.159  14.824   1.390
 2177    H    ALA 213           H        ALA 213  17.197  13.394  -1.913
 2178    HA   ALA 213           HA       ALA 213  15.244  14.297  -4.003
 2179   1HB   ALA 213          1HB       ALA 213  17.382  14.439  -5.018
 2180   2HB   ALA 213          2HB       ALA 213  16.813  12.842  -5.504
 2181   3HB   ALA 213          3HB       ALA 213  17.969  13.002  -4.182
 2182    H    ARG 214           H        ARG 214  14.473  12.749  -1.760
 2183    HA   ARG 214           HA       ARG 214  13.451  10.693  -1.187
 2184   1HB   ARG 214          1HB       ARG 214  13.146  11.098  -4.157
 2185   2HB   ARG 214          2HB       ARG 214  12.469   9.657  -3.398
 2186   1HG   ARG 214          1HG       ARG 214  10.670  11.092  -3.163
 2187   2HG   ARG 214          2HG       ARG 214  11.531  11.460  -1.669
 2188   1HD   ARG 214          1HD       ARG 214  12.785  13.216  -3.249
 2189   2HD   ARG 214          2HD       ARG 214  11.264  13.103  -4.155
 2190    HE   ARG 214           HE       ARG 214  10.422  13.315  -1.535
 2191   1HH1  ARG 214          1HH1      ARG 214  12.599  15.156  -3.534
 2192   2HH1  ARG 214          2HH1      ARG 214  12.282  16.639  -2.703
 2193   1HH2  ARG 214          1HH2      ARG 214  10.028  15.253  -0.474
 2194   2HH2  ARG 214          2HH2      ARG 214  10.838  16.696  -0.984
 2195   1HN   MLZ 215          1HN       MLZ 215  13.396   8.213  -2.171
 2196    HA   MLZ 215           HA       MLZ 215  16.192   7.331  -2.012
 2197   1HB   MLZ 215          1HB       MLZ 215  13.434   6.165  -1.947
 2198   2HB   MLZ 215          2HB       MLZ 215  14.765   5.081  -2.351
 2199   1HG   MLZ 215          1HG       MLZ 215  15.605   6.681  -0.148
 2200   2HG   MLZ 215          2HG       MLZ 215  15.298   4.946  -0.171
 2201   1HD   MLZ 215          1HD       MLZ 215  13.518   7.179   0.705
 2202   2HD   MLZ 215          2HD       MLZ 215  12.759   5.779  -0.053
 2203   1HE   MLZ 215          1HE       MLZ 215  14.809   5.306   2.093
 2204   2HE   MLZ 215          2HE       MLZ 215  13.378   4.344   1.672
 2205    HZ   MLZ 215           HZ       MLZ 215  12.004   6.242   2.418
 2206   1HCM  MLZ 215          1HCM      MLZ 215  12.005   4.759   4.096
 2207   2HCM  MLZ 215          2HCM      MLZ 215  12.916   6.040   4.894
 2208   3HCM  MLZ 215          3HCM      MLZ 215  13.767   4.694   4.138
 2209    H    SER 216           H        SER 216  17.367   6.390  -3.698
 2210    HA   SER 216           HA       SER 216  17.973   5.892  -5.923
 2211   1HB   SER 216          1HB       SER 216  15.855   7.426  -7.196
 2212   2HB   SER 216          2HB       SER 216  16.524   8.313  -5.827
 2213    HG   SER 216           HG       SER 216  18.160   7.048  -7.747
 2214    H    ALA 217           H        ALA 217  17.146   4.768  -7.905
 2215    HA   ALA 217           HA       ALA 217  14.979   2.897  -7.189
 2216   1HB   ALA 217          1HB       ALA 217  13.395   3.939  -8.430
 2217   2HB   ALA 217          2HB       ALA 217  14.458   3.937  -9.838
 2218   3HB   ALA 217          3HB       ALA 217  14.524   5.269  -8.684
 2219    HA   PRO 218           HA       PRO 218  16.963   0.048  -9.874
 2220   1HB   PRO 218          1HB       PRO 218  14.808  -0.033 -11.908
 2221   2HB   PRO 218          2HB       PRO 218  15.401  -1.328 -10.854
 2222   1HG   PRO 218          1HG       PRO 218  13.012  -0.135 -10.496
 2223   2HG   PRO 218          2HG       PRO 218  13.975  -0.775  -9.158
 2224   1HD   PRO 218          1HD       PRO 218  13.556   2.044 -10.010
 2225   2HD   PRO 218          2HD       PRO 218  13.786   1.373  -8.381
 2226    H    ALA 219           H        ALA 219  18.636   1.398 -10.704
 2227    HA   ALA 219           HA       ALA 219  19.833   2.581 -12.363
 2228   1HB   ALA 219          1HB       ALA 219  18.458   1.827 -14.689
 2229   2HB   ALA 219          2HB       ALA 219  18.131   0.522 -13.549
 2230   3HB   ALA 219          3HB       ALA 219  19.796   0.949 -13.946
 2231    H    THR 220           H        THR 220  18.589   4.535 -11.349
 2232    HA   THR 220           HA       THR 220  16.397   5.658 -12.931
 2233    HB   THR 220           HB       THR 220  17.141   7.665 -11.351
 2234    HG1  THR 220           HG1      THR 220  18.546   7.133  -9.853
 2235   1HG2  THR 220          1HG2      THR 220  15.104   6.638 -10.837
 2236   2HG2  THR 220          2HG2      THR 220  16.061   6.283  -9.399
 2237   3HG2  THR 220          3HG2      THR 220  15.843   5.049 -10.640
 2238    H    GLY 221           H        GLY 221  17.925   5.411 -14.960
 2239   1HA   GLY 221          1HA       GLY 221  18.505   7.291 -16.539
 2240   2HA   GLY 221          2HA       GLY 221  19.506   7.938 -15.239
 2241   1HN   SAH 301          1HN       SAH 301 -10.715  -0.285  -8.781
 2242   2HN   SAH 301          2HN       SAH 301  -9.483   0.373  -9.753
 2243    HA   SAH 301           HA       SAH 301  -9.980   2.571  -8.525
 2244   1HB   SAH 301          1HB       SAH 301 -11.250   0.380  -6.847
 2245   2HB   SAH 301          2HB       SAH 301 -10.867   1.980  -6.210
 2246   1HG   SAH 301          1HG       SAH 301 -13.247   1.333  -7.403
 2247   2HG   SAH 301          2HG       SAH 301 -12.349   2.008  -8.763
 2248   1H5*  SAH 301          1H5*      SAH 301 -14.810   2.484  -6.971
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.780   3.845  -5.851
 2250    H4*  SAH 301           H4*      SAH 301 -14.535   5.185  -8.092
 2251    H3*  SAH 301           H3*      SAH 301 -16.674   4.423  -6.288
 2252   *HO3  SAH 301          *HO3      SAH 301 -17.341   6.601  -7.447
 2253    H2*  SAH 301           H2*      SAH 301 -18.272   3.752  -7.706
 2254   *HO2  SAH 301          *HO2      SAH 301 -18.820   5.180  -9.497
 2255    H1*  SAH 301           H1*      SAH 301 -17.000   4.108 -10.275
 2256    H8   SAH 301           H8       SAH 301 -16.141   1.091  -8.133
 2257   1HN6  SAH 301          1HN6      SAH 301 -20.150  -1.945 -10.014
 2258   2HN6  SAH 301          2HN6      SAH 301 -21.293  -1.236  -8.896
 2259    H2   SAH 301           H2       SAH 301 -21.197   2.621 -11.743
 2260   1HN   SAH 302          1HN       SAH 302  10.767  -0.274   8.792
 2261   2HN   SAH 302          2HN       SAH 302   9.546   0.384   9.772
 2262    HA   SAH 302           HA       SAH 302  10.037   2.580   8.539
 2263   1HB   SAH 302          1HB       SAH 302  11.295   0.387   6.857
 2264   2HB   SAH 302          2HB       SAH 302  10.910   1.985   6.219
 2265   1HG   SAH 302          1HG       SAH 302  13.296   1.335   7.397
 2266   2HG   SAH 302          2HG       SAH 302  12.408   2.012   8.763
 2267   1H5*  SAH 302          1H5*      SAH 302  14.858   2.482   6.956
 2268   2H5*  SAH 302          2H5*      SAH 302  14.823   3.842   5.834
 2269    H4*  SAH 302           H4*      SAH 302  14.594   5.186   8.075
 2270    H3*  SAH 302           H3*      SAH 302  16.720   4.419   6.259
 2271   *HO3  SAH 302          *HO3      SAH 302  17.397   6.597   7.412
 2272    H2*  SAH 302           H2*      SAH 302  18.324   3.747   7.666
 2273   *HO2  SAH 302          *HO2      SAH 302  18.888   5.176   9.453
 2274    H1*  SAH 302           H1*      SAH 302  17.071   4.107  10.244
 2275    H8   SAH 302           H8       SAH 302  16.195   1.090   8.111
 2276   1HN6  SAH 302          1HN6      SAH 302  20.211  -1.950   9.967
 2277   2HN6  SAH 302          2HN6      SAH 302  21.348  -1.244   8.841
 2278    H2   SAH 302           H2       SAH 302  21.276   2.615  11.686
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1  -3.305  -9.885  -5.162
    2   2H    MET   1          2H        MET   1  -4.744  -9.141  -5.671
    3   3H    MET   1          3H        MET   1  -3.270  -8.306  -5.787
    4    HA   MET   1           HA       MET   1  -4.009  -9.155  -7.959
    5   1HB   MET   1          1HB       MET   1  -1.525  -9.471  -6.523
    6   2HB   MET   1          2HB       MET   1  -1.674 -10.758  -7.719
    7   1HG   MET   1          1HG       MET   1  -0.797  -9.134  -9.093
    8   2HG   MET   1          2HG       MET   1  -2.496  -8.679  -9.223
    9   1HE   MET   1          1HE       MET   1  -2.669  -5.751  -9.165
   10   2HE   MET   1          2HE       MET   1  -1.630  -6.777 -10.155
   11   3HE   MET   1          3HE       MET   1  -0.961  -5.355  -9.355
   12    H    PHE   2           H        PHE   2  -3.271 -11.479  -9.116
   13    HA   PHE   2           HA       PHE   2  -5.391 -13.272  -8.561
   14   1HB   PHE   2          1HB       PHE   2  -3.894 -14.876  -9.942
   15   2HB   PHE   2          2HB       PHE   2  -4.458 -13.397 -10.699
   16    HD1  PHE   2           HD1      PHE   2  -1.786 -13.183  -8.153
   17    HD2  PHE   2           HD2      PHE   2  -2.637 -13.533 -12.352
   18    HE1  PHE   2           HE1      PHE   2   0.545 -12.551  -8.678
   19    HE2  PHE   2           HE2      PHE   2  -0.301 -12.895 -12.872
   20    HZ   PHE   2           HZ       PHE   2   1.290 -12.404 -11.037
   21    H    ASN   3           H        ASN   3  -5.269 -13.601  -6.227
   22    HA   ASN   3           HA       ASN   3  -3.084 -15.402  -5.298
   23   1HB   ASN   3          1HB       ASN   3  -4.033 -13.239  -4.136
   24   2HB   ASN   3          2HB       ASN   3  -5.350 -14.301  -3.639
   25   1HD2  ASN   3          1HD2      ASN   3  -3.095 -13.043  -2.001
   26   2HD2  ASN   3          2HD2      ASN   3  -2.358 -14.354  -1.214
   27    H    ASP   4           H        ASP   4  -3.588 -17.496  -4.502
   28    HA   ASP   4           HA       ASP   4  -5.510 -19.052  -5.769
   29   1HB   ASP   4          1HB       ASP   4  -3.588 -19.849  -4.425
   30   2HB   ASP   4          2HB       ASP   4  -4.401 -19.322  -2.951
   31    H    ARG   5           H        ARG   5  -6.018 -16.901  -3.043
   32    HA   ARG   5           HA       ARG   5  -8.717 -18.072  -2.564
   33   1HB   ARG   5          1HB       ARG   5  -7.067 -15.990  -1.084
   34   2HB   ARG   5          2HB       ARG   5  -8.576 -16.696  -0.505
   35   1HG   ARG   5          1HG       ARG   5  -7.029 -18.913  -1.161
   36   2HG   ARG   5          2HG       ARG   5  -5.867 -17.797  -0.444
   37   1HD   ARG   5          1HD       ARG   5  -8.072 -17.581   1.242
   38   2HD   ARG   5          2HD       ARG   5  -8.011 -19.311   0.853
   39    HE   ARG   5           HE       ARG   5  -5.349 -18.421   1.332
   40   1HH1  ARG   5          1HH1      ARG   5  -8.350 -18.889   3.034
   41   2HH1  ARG   5          2HH1      ARG   5  -7.571 -19.197   4.547
   42   1HH2  ARG   5          1HH2      ARG   5  -4.361 -18.824   3.307
   43   2HH2  ARG   5          2HH2      ARG   5  -5.330 -19.161   4.703
   44    H    VAL   6           H        VAL   6  -7.135 -15.129  -3.723
   45    HA   VAL   6           HA       VAL   6  -9.753 -14.153  -4.715
   46    HB   VAL   6           HB       VAL   6  -7.974 -12.687  -2.728
   47   1HG1  VAL   6          1HG1      VAL   6 -10.045 -11.062  -2.895
   48   2HG1  VAL   6          2HG1      VAL   6 -10.233 -11.791  -4.489
   49   3HG1  VAL   6          3HG1      VAL   6  -8.740 -10.948  -4.076
   50   1HG2  VAL   6          1HG2      VAL   6 -10.199 -12.687  -1.439
   51   2HG2  VAL   6          2HG2      VAL   6  -9.348 -14.227  -1.545
   52   3HG2  VAL   6          3HG2      VAL   6 -10.734 -13.912  -2.589
   53    H    ILE   7           H        ILE   7  -9.483 -13.033  -6.634
   54    HA   ILE   7           HA       ILE   7  -6.649 -12.397  -7.417
   55    HB   ILE   7           HB       ILE   7  -7.638 -14.249  -8.655
   56   1HG1  ILE   7          1HG1      ILE   7  -7.983 -11.961 -10.567
   57   2HG1  ILE   7          2HG1      ILE   7  -6.398 -12.248  -9.852
   58   1HG2  ILE   7          1HG2      ILE   7  -9.949 -14.094  -8.456
   59   2HG2  ILE   7          2HG2      ILE   7  -9.730 -13.531 -10.112
   60   3HG2  ILE   7          3HG2      ILE   7  -9.966 -12.367  -8.809
   61   1HD1  ILE   7          1HD1      ILE   7  -8.043 -14.153 -11.531
   62   2HD1  ILE   7          2HD1      ILE   7  -6.643 -14.674 -10.594
   63   3HD1  ILE   7          3HD1      ILE   7  -6.446 -13.500 -11.895
   64    H    VAL   8           H        VAL   8  -6.408 -10.548  -8.910
   65    HA   VAL   8           HA       VAL   8  -8.209  -8.319  -8.191
   66    HB   VAL   8           HB       VAL   8  -5.739  -8.100  -8.155
   67   1HG1  VAL   8          1HG1      VAL   8  -5.373  -8.005 -11.044
   68   2HG1  VAL   8          2HG1      VAL   8  -5.894  -9.603 -10.514
   69   3HG1  VAL   8          3HG1      VAL   8  -4.439  -8.879  -9.832
   70   1HG2  VAL   8          1HG2      VAL   8  -7.399  -6.486 -10.068
   71   2HG2  VAL   8          2HG2      VAL   8  -5.665  -6.166  -9.961
   72   3HG2  VAL   8          3HG2      VAL   8  -6.681  -6.005  -8.529
   73    H    LYS   9           H        LYS   9  -9.883  -7.757  -9.485
   74    HA   LYS   9           HA       LYS   9  -9.655  -8.072 -12.420
   75   1HB   LYS   9          1HB       LYS   9 -11.317  -9.621 -10.519
   76   2HB   LYS   9          2HB       LYS   9 -12.117  -9.123 -12.004
   77   1HG   LYS   9          1HG       LYS   9 -10.318 -10.171 -13.317
   78   2HG   LYS   9          2HG       LYS   9  -9.471 -10.602 -11.836
   79   1HD   LYS   9          1HD       LYS   9 -11.265 -12.077 -11.169
   80   2HD   LYS   9          2HD       LYS   9 -12.268 -11.522 -12.501
   81   1HE   LYS   9          1HE       LYS   9 -10.236 -12.322 -13.983
   82   2HE   LYS   9          2HE       LYS   9  -9.897 -13.324 -12.568
   83   1HZ   LYS   9          1HZ       LYS   9 -11.413 -14.547 -13.896
   84   2HZ   LYS   9          2HZ       LYS   9 -12.411 -13.193 -14.134
   85   3HZ   LYS   9          3HZ       LYS   9 -12.321 -13.923 -12.603
   86    H    LYS  10           H        LYS  10 -11.719  -5.139 -12.495
   87    HA   LYS  10           HA       LYS  10 -10.562  -5.330 -14.488
   88   1HB   LYS  10          1HB       LYS  10  -8.858  -5.968 -12.296
   89   2HB   LYS  10          2HB       LYS  10  -8.418  -7.022 -13.640
   90   1HG   LYS  10          1HG       LYS  10  -7.202  -4.859 -13.690
   91   2HG   LYS  10          2HG       LYS  10  -8.193  -5.091 -15.123
   92   1HD   LYS  10          1HD       LYS  10  -9.855  -3.838 -13.211
   93   2HD   LYS  10          2HD       LYS  10  -8.313  -2.987 -13.143
   94   1HE   LYS  10          1HE       LYS  10  -9.383  -3.616 -15.861
   95   2HE   LYS  10          2HE       LYS  10 -10.186  -2.325 -14.946
   96   1HZ   LYS  10          1HZ       LYS  10  -8.084  -1.268 -14.571
   97   2HZ   LYS  10          2HZ       LYS  10  -8.225  -1.552 -16.240
   98   3HZ   LYS  10          3HZ       LYS  10  -7.240  -2.556 -15.288
   99    H    SER  11           H        SER  11 -12.431  -6.728 -15.165
  100    HA   SER  11           HA       SER  11 -11.463  -9.024 -16.553
  101   1HB   SER  11          1HB       SER  11 -12.341  -9.411 -13.867
  102   2HB   SER  11          2HB       SER  11 -13.429 -10.262 -14.959
  103    HG   SER  11           HG       SER  11 -11.434 -11.071 -15.968
  104    HA   PRO  12           HA       PRO  12 -16.164  -8.691 -17.235
  105   1HB   PRO  12          1HB       PRO  12 -16.959  -6.317 -15.663
  106   2HB   PRO  12          2HB       PRO  12 -17.698  -7.929 -15.704
  107   1HG   PRO  12          1HG       PRO  12 -16.293  -7.069 -13.589
  108   2HG   PRO  12          2HG       PRO  12 -16.277  -8.757 -14.090
  109   1HD   PRO  12          1HD       PRO  12 -14.259  -6.618 -14.525
  110   2HD   PRO  12          2HD       PRO  12 -14.036  -8.308 -14.047
  111    H    LEU  13           H        LEU  13 -14.406  -5.678 -16.660
  112    HA   LEU  13           HA       LEU  13 -14.334  -4.902 -19.404
  113   1HB   LEU  13          1HB       LEU  13 -16.794  -4.361 -17.929
  114   2HB   LEU  13          2HB       LEU  13 -16.068  -2.867 -18.520
  115    HG   LEU  13           HG       LEU  13 -16.167  -5.169 -20.412
  116   1HD1  LEU  13          1HD1      LEU  13 -18.542  -4.130 -21.010
  117   2HD1  LEU  13          2HD1      LEU  13 -18.557  -3.765 -19.285
  118   3HD1  LEU  13          3HD1      LEU  13 -18.394  -5.434 -19.832
  119   1HD2  LEU  13          1HD2      LEU  13 -16.777  -2.217 -20.732
  120   2HD2  LEU  13          2HD2      LEU  13 -16.483  -3.380 -22.024
  121   3HD2  LEU  13          3HD2      LEU  13 -15.174  -2.921 -20.935
  122    H    GLY  14           H        GLY  14 -14.435  -3.863 -16.026
  123   1HA   GLY  14          1HA       GLY  14 -11.898  -2.630 -16.046
  124   2HA   GLY  14          2HA       GLY  14 -13.072  -1.361 -16.390
  125    H    GLY  15           H        GLY  15 -12.531  -0.382 -14.318
  126   1HA   GLY  15          1HA       GLY  15 -13.024   0.054 -12.064
  127   2HA   GLY  15          2HA       GLY  15 -14.293  -1.165 -12.190
  128    H    TYR  16           H        TYR  16 -10.913  -0.619 -11.392
  129    HA   TYR  16           HA       TYR  16 -10.053  -3.294 -10.992
  130   1HB   TYR  16          1HB       TYR  16  -9.327  -0.563 -10.199
  131   2HB   TYR  16          2HB       TYR  16  -8.819  -1.774  -9.027
  132    HD1  TYR  16           HD1      TYR  16  -7.867  -0.086 -11.949
  133    HD2  TYR  16           HD2      TYR  16  -7.799  -3.991 -10.161
  134    HE1  TYR  16           HE1      TYR  16  -5.988  -0.732 -13.433
  135    HE2  TYR  16           HE2      TYR  16  -5.920  -4.638 -11.645
  136    HH   TYR  16           HH       TYR  16  -4.018  -2.572 -13.206
  137    H    GLY  17           H        GLY  17 -11.680  -4.544  -9.975
  138   1HA   GLY  17          1HA       GLY  17 -12.210  -3.837  -7.113
  139   2HA   GLY  17          2HA       GLY  17 -13.411  -4.641  -8.125
  140    H    VAL  18           H        VAL  18 -12.762  -5.970  -5.825
  141    HA   VAL  18           HA       VAL  18 -10.584  -7.891  -6.472
  142    HB   VAL  18           HB       VAL  18 -12.422  -7.475  -4.088
  143   1HG1  VAL  18          1HG1      VAL  18  -9.965  -9.234  -4.286
  144   2HG1  VAL  18          2HG1      VAL  18 -11.614  -9.847  -4.408
  145   3HG1  VAL  18          3HG1      VAL  18 -11.064  -9.089  -2.914
  146   1HG2  VAL  18          1HG2      VAL  18  -9.529  -7.109  -3.792
  147   2HG2  VAL  18          2HG2      VAL  18 -10.853  -6.064  -3.276
  148   3HG2  VAL  18          3HG2      VAL  18 -10.261  -5.984  -4.936
  149    H    PHE  19           H        PHE  19 -11.012 -10.046  -7.015
  150    HA   PHE  19           HA       PHE  19 -13.885 -10.693  -7.544
  151   1HB   PHE  19          1HB       PHE  19 -11.357 -11.009  -8.932
  152   2HB   PHE  19          2HB       PHE  19 -12.153 -12.573  -8.747
  153    HD1  PHE  19           HD1      PHE  19 -13.266  -9.039  -9.393
  154    HD2  PHE  19           HD2      PHE  19 -13.472 -13.169 -10.566
  155    HE1  PHE  19           HE1      PHE  19 -14.840  -8.441 -11.211
  156    HE2  PHE  19           HE2      PHE  19 -15.048 -12.567 -12.389
  157    HZ   PHE  19           HZ       PHE  19 -15.725 -10.198 -12.714
  158    H    ALA  20           H        ALA  20 -14.819 -12.321  -6.401
  159    HA   ALA  20           HA       ALA  20 -13.249 -13.698  -4.329
  160   1HB   ALA  20          1HB       ALA  20 -16.023 -14.514  -4.633
  161   2HB   ALA  20          2HB       ALA  20 -15.887 -12.757  -4.726
  162   3HB   ALA  20          3HB       ALA  20 -15.278 -13.615  -3.311
  163    H    ARG  21           H        ARG  21 -11.960 -15.138  -5.647
  164    HA   ARG  21           HA       ARG  21 -13.088 -16.990  -7.557
  165   1HB   ARG  21          1HB       ARG  21 -10.613 -16.126  -6.874
  166   2HB   ARG  21          2HB       ARG  21 -10.636 -17.646  -5.981
  167   1HG   ARG  21          1HG       ARG  21 -10.729 -18.929  -7.897
  168   2HG   ARG  21          2HG       ARG  21 -11.599 -17.694  -8.807
  169   1HD   ARG  21          1HD       ARG  21  -9.615 -17.135  -9.760
  170   2HD   ARG  21          2HD       ARG  21  -9.092 -16.546  -8.171
  171    HE   ARG  21           HE       ARG  21  -8.767 -19.284  -7.975
  172   1HH1  ARG  21          1HH1      ARG  21  -7.717 -16.866 -10.250
  173   2HH1  ARG  21          2HH1      ARG  21  -6.276 -17.726 -10.667
  174   1HH2  ARG  21          1HH2      ARG  21  -6.889 -20.381  -8.533
  175   2HH2  ARG  21          2HH2      ARG  21  -5.809 -19.702  -9.704
  176    H    LYS  22           H        LYS  22 -13.139 -16.828  -4.116
  177    HA   LYS  22           HA       LYS  22 -13.734 -19.748  -3.864
  178   1HB   LYS  22          1HB       LYS  22 -12.404 -17.656  -2.283
  179   2HB   LYS  22          2HB       LYS  22 -13.564 -18.581  -1.334
  180   1HG   LYS  22          1HG       LYS  22 -12.451 -20.631  -1.769
  181   2HG   LYS  22          2HG       LYS  22 -11.546 -19.946  -3.118
  182   1HD   LYS  22          1HD       LYS  22 -10.325 -18.480  -1.535
  183   2HD   LYS  22          2HD       LYS  22 -11.214 -19.202  -0.194
  184   1HE   LYS  22          1HE       LYS  22 -10.040 -21.274  -1.857
  185   2HE   LYS  22          2HE       LYS  22  -8.798 -20.144  -1.286
  186   1HZ   LYS  22          1HZ       LYS  22  -9.708 -20.332   0.948
  187   2HZ   LYS  22          2HZ       LYS  22  -9.261 -21.866   0.371
  188   3HZ   LYS  22          3HZ       LYS  22 -10.898 -21.414   0.401
  189    H    SER  23           H        SER  23 -16.885 -18.939  -2.065
  190    HA   SER  23           HA       SER  23 -14.369 -20.567  -1.992
  191   1HB   SER  23          1HB       SER  23 -16.822 -21.589  -0.727
  192   2HB   SER  23          2HB       SER  23 -17.021 -21.228  -2.442
  193    HG   SER  23           HG       SER  23 -16.257 -23.344  -2.120
  194    H    PHE  24           H        PHE  24 -16.511 -18.523  -0.155
  195    HA   PHE  24           HA       PHE  24 -14.892 -19.099   2.309
  196   1HB   PHE  24          1HB       PHE  24 -16.108 -16.558   1.170
  197   2HB   PHE  24          2HB       PHE  24 -15.394 -16.649   2.779
  198    HD1  PHE  24           HD1      PHE  24 -12.987 -17.943   2.745
  199    HD2  PHE  24           HD2      PHE  24 -14.727 -15.732  -0.500
  200    HE1  PHE  24           HE1      PHE  24 -10.733 -17.605   1.766
  201    HE2  PHE  24           HE2      PHE  24 -12.474 -15.394  -1.479
  202    HZ   PHE  24           HZ       PHE  24 -10.478 -16.330  -0.346
  203    H    GLU  25           H        GLU  25 -16.084 -18.626   4.357
  204    HA   GLU  25           HA       GLU  25 -18.985 -19.317   4.094
  205   1HB   GLU  25          1HB       GLU  25 -16.852 -20.427   5.527
  206   2HB   GLU  25          2HB       GLU  25 -17.745 -19.512   6.741
  207   1HG   GLU  25          1HG       GLU  25 -19.831 -20.664   5.534
  208   2HG   GLU  25          2HG       GLU  25 -18.611 -21.869   5.121
  209    H    LYS  26           H        LYS  26 -20.140 -18.456   6.284
  210    HA   LYS  26           HA       LYS  26 -20.068 -15.554   6.113
  211   1HB   LYS  26          1HB       LYS  26 -22.010 -17.229   6.597
  212   2HB   LYS  26          2HB       LYS  26 -21.414 -17.208   8.255
  213   1HG   LYS  26          1HG       LYS  26 -21.756 -14.826   8.427
  214   2HG   LYS  26          2HG       LYS  26 -22.103 -14.706   6.711
  215   1HD   LYS  26          1HD       LYS  26 -24.236 -15.368   6.944
  216   2HD   LYS  26          2HD       LYS  26 -23.796 -16.614   8.100
  217   1HE   LYS  26          1HE       LYS  26 -23.519 -13.810   9.042
  218   2HE   LYS  26          2HE       LYS  26 -25.177 -14.409   8.830
  219   1HZ   LYS  26          1HZ       LYS  26 -24.270 -14.960  11.038
  220   2HZ   LYS  26          2HZ       LYS  26 -23.013 -15.832  10.300
  221   3HZ   LYS  26          3HZ       LYS  26 -24.621 -16.354  10.133
  222    H    GLY  27           H        GLY  27 -18.103 -14.729   6.907
  223   1HA   GLY  27          1HA       GLY  27 -17.167 -13.737   8.961
  224   2HA   GLY  27          2HA       GLY  27 -17.596 -15.223   9.809
  225    H    GLU  28           H        GLU  28 -15.691 -14.308   6.907
  226    HA   GLU  28           HA       GLU  28 -13.490 -16.049   7.956
  227   1HB   GLU  28          1HB       GLU  28 -15.191 -16.355   5.634
  228   2HB   GLU  28          2HB       GLU  28 -13.517 -16.148   5.119
  229   1HG   GLU  28          1HG       GLU  28 -14.352 -18.094   7.284
  230   2HG   GLU  28          2HG       GLU  28 -14.206 -18.548   5.586
  231    H    LEU  29           H        LEU  29 -11.641 -14.850   8.104
  232    HA   LEU  29           HA       LEU  29 -11.398 -12.178   7.065
  233   1HB   LEU  29          1HB       LEU  29 -10.253 -13.445   9.047
  234   2HB   LEU  29          2HB       LEU  29  -9.108 -13.999   7.827
  235    HG   LEU  29           HG       LEU  29  -8.316 -11.940   8.961
  236   1HD1  LEU  29          1HD1      LEU  29  -9.041 -10.998   6.225
  237   2HD1  LEU  29          2HD1      LEU  29  -8.135 -12.506   6.349
  238   3HD1  LEU  29          3HD1      LEU  29  -7.471 -11.020   7.027
  239   1HD2  LEU  29          1HD2      LEU  29 -10.110 -10.074   7.683
  240   2HD2  LEU  29          2HD2      LEU  29  -9.717 -10.234   9.394
  241   3HD2  LEU  29          3HD2      LEU  29 -11.027 -11.186   8.698
  242    H    VAL  30           H        VAL  30 -10.818 -11.555   5.028
  243    HA   VAL  30           HA       VAL  30  -9.965 -13.595   3.068
  244    HB   VAL  30           HB       VAL  30 -10.645 -10.633   2.926
  245   1HG1  VAL  30          1HG1      VAL  30  -9.586 -12.547   0.922
  246   2HG1  VAL  30          2HG1      VAL  30  -9.485 -10.786   0.960
  247   3HG1  VAL  30          3HG1      VAL  30 -10.958 -11.574   0.393
  248   1HG2  VAL  30          1HG2      VAL  30 -12.292 -12.781   1.671
  249   2HG2  VAL  30          2HG2      VAL  30 -12.801 -11.266   2.417
  250   3HG2  VAL  30          3HG2      VAL  30 -12.355 -12.641   3.428
  251    H    GLU  31           H        GLU  31  -8.735 -10.491   4.367
  252    HA   GLU  31           HA       GLU  31  -5.972 -11.400   4.199
  253   1HB   GLU  31          1HB       GLU  31  -7.289 -10.137   1.937
  254   2HB   GLU  31          2HB       GLU  31  -5.940  -9.146   2.493
  255   1HG   GLU  31          1HG       GLU  31  -4.619 -11.395   2.544
  256   2HG   GLU  31          2HG       GLU  31  -5.908 -11.989   1.496
  257    H    GLU  32           H        GLU  32  -4.529  -9.855   5.185
  258    HA   GLU  32           HA       GLU  32  -5.779  -7.359   6.247
  259   1HB   GLU  32          1HB       GLU  32  -4.905  -7.979   8.495
  260   2HB   GLU  32          2HB       GLU  32  -6.050  -9.182   7.901
  261   1HG   GLU  32          1HG       GLU  32  -4.079 -10.503   7.034
  262   2HG   GLU  32          2HG       GLU  32  -3.025  -9.362   7.870
  263    H    CYS  33           H        CYS  33  -4.331  -5.653   6.246
  264    HA   CYS  33           HA       CYS  33  -1.413  -6.248   6.075
  265   1HB   CYS  33          1HB       CYS  33  -3.221  -5.316   3.979
  266   2HB   CYS  33          2HB       CYS  33  -1.899  -4.179   4.243
  267    HG   CYS  33           HG       CYS  33  -0.663  -6.871   4.123
  268    H    LEU  34           H        LEU  34  -0.480  -3.699   5.691
  269    HA   LEU  34           HA       LEU  34  -1.318  -2.353   8.204
  270   1HB   LEU  34          1HB       LEU  34   1.093  -3.041   7.180
  271   2HB   LEU  34          2HB       LEU  34   0.957  -1.411   6.523
  272    HG   LEU  34           HG       LEU  34   0.360  -0.654   8.888
  273   1HD1  LEU  34          1HD1      LEU  34  -0.075  -3.139   9.540
  274   2HD1  LEU  34          2HD1      LEU  34   0.736  -2.098  10.711
  275   3HD1  LEU  34          3HD1      LEU  34   1.676  -3.230   9.738
  276   1HD2  LEU  34          1HD2      LEU  34   3.039  -1.721   8.036
  277   2HD2  LEU  34          2HD2      LEU  34   2.850  -1.026   9.646
  278   3HD2  LEU  34          3HD2      LEU  34   2.517  -0.046   8.219
  279    H    CYS  35           H        CYS  35  -1.254   0.124   8.095
  280    HA   CYS  35           HA       CYS  35  -2.170   1.204   5.467
  281   1HB   CYS  35          1HB       CYS  35  -3.598   1.335   8.148
  282   2HB   CYS  35          2HB       CYS  35  -4.072   2.282   6.738
  283    HG   CYS  35           HG       CYS  35  -3.923  -0.685   6.081
  284    H    ILE  36           H        ILE  36  -2.665   3.762   6.055
  285    HA   ILE  36           HA       ILE  36  -0.269   4.701   7.609
  286    HB   ILE  36           HB       ILE  36  -1.523   5.739   5.041
  287   1HG1  ILE  36          1HG1      ILE  36   1.179   4.483   5.617
  288   2HG1  ILE  36          2HG1      ILE  36  -0.158   3.694   4.781
  289   1HG2  ILE  36          1HG2      ILE  36   0.232   6.994   7.019
  290   2HG2  ILE  36          2HG2      ILE  36  -0.641   7.724   5.672
  291   3HG2  ILE  36          3HG2      ILE  36   0.935   6.980   5.402
  292   1HD1  ILE  36          1HD1      ILE  36  -0.083   5.646   3.125
  293   2HD1  ILE  36          2HD1      ILE  36   1.280   4.528   3.061
  294   3HD1  ILE  36          3HD1      ILE  36   1.456   6.086   3.867
  295    H    VAL  37           H        VAL  37  -0.560   6.692   8.774
  296    HA   VAL  37           HA       VAL  37  -3.419   7.559   9.071
  297    HB   VAL  37           HB       VAL  37  -1.217   7.368  11.161
  298   1HG1  VAL  37          1HG1      VAL  37  -3.182   7.661  12.725
  299   2HG1  VAL  37          2HG1      VAL  37  -4.167   8.045  11.314
  300   3HG1  VAL  37          3HG1      VAL  37  -2.811   9.084  11.751
  301   1HG2  VAL  37          1HG2      VAL  37  -3.353   5.485  10.249
  302   2HG2  VAL  37          2HG2      VAL  37  -3.009   5.567  11.977
  303   3HG2  VAL  37          3HG2      VAL  37  -1.729   5.135  10.844
  304    H    ARG  38           H        ARG  38  -3.385   9.519   7.954
  305    HA   ARG  38           HA       ARG  38  -1.442  11.570   8.946
  306   1HB   ARG  38          1HB       ARG  38  -2.297  10.977   6.094
  307   2HB   ARG  38          2HB       ARG  38  -1.295  12.346   6.566
  308   1HG   ARG  38          1HG       ARG  38  -0.596   9.436   7.055
  309   2HG   ARG  38          2HG       ARG  38   0.056  10.420   5.746
  310   1HD   ARG  38          1HD       ARG  38   0.577  12.046   7.871
  311   2HD   ARG  38          2HD       ARG  38   0.728  10.451   8.634
  312    HE   ARG  38           HE       ARG  38   2.499  11.536   6.590
  313   1HH1  ARG  38          1HH1      ARG  38   1.073   8.634   7.879
  314   2HH1  ARG  38          2HH1      ARG  38   2.347   7.618   7.300
  315   1HH2  ARG  38          1HH2      ARG  38   4.141  10.197   5.849
  316   2HH2  ARG  38          2HH2      ARG  38   4.072   8.495   6.159
  317    H    HIS  39           H        HIS  39  -2.343  13.665   9.130
  318    HA   HIS  39           HA       HIS  39  -5.171  13.902   9.491
  319   1HB   HIS  39          1HB       HIS  39  -2.982  15.963   9.027
  320   2HB   HIS  39          2HB       HIS  39  -4.582  16.330   9.672
  321    HD1  HIS  39           HD1      HIS  39  -1.698  16.523  11.187
  322    HD2  HIS  39           HD2      HIS  39  -4.647  13.627  11.735
  323    HE1  HIS  39           HE1      HIS  39  -1.320  15.541  13.491
  324    H    ASN  40           H        ASN  40  -6.365  15.798   8.245
  325    HA   ASN  40           HA       ASN  40  -6.689  14.977   5.504
  326   1HB   ASN  40          1HB       ASN  40  -7.573  17.458   7.026
  327   2HB   ASN  40          2HB       ASN  40  -8.268  16.902   5.504
  328   1HD2  ASN  40          1HD2      ASN  40 -10.270  15.982   5.988
  329   2HD2  ASN  40          2HD2      ASN  40 -10.560  14.902   7.265
  330    H    ASP  41           H        ASP  41  -6.889  18.108   4.855
  331    HA   ASP  41           HA       ASP  41  -5.523  19.713   3.807
  332   1HB   ASP  41          1HB       ASP  41  -4.231  18.967   6.082
  333   2HB   ASP  41          2HB       ASP  41  -3.032  18.488   4.881
  334    H    ASP  42           H        ASP  42  -2.735  19.133   2.940
  335    HA   ASP  42           HA       ASP  42  -3.092  18.293   0.322
  336   1HB   ASP  42          1HB       ASP  42  -0.776  17.956   2.252
  337   2HB   ASP  42          2HB       ASP  42  -0.623  17.658   0.520
  338    H    TRP  43           H        TRP  43  -2.934  16.257   3.175
  339    HA   TRP  43           HA       TRP  43  -2.369  13.760   1.840
  340   1HB   TRP  43          1HB       TRP  43  -2.017  14.061   4.215
  341   2HB   TRP  43          2HB       TRP  43  -3.685  14.573   4.452
  342    HD1  TRP  43           HD1      TRP  43  -5.284  12.773   5.234
  343    HE1  TRP  43           HE1      TRP  43  -5.303  10.195   5.250
  344    HE3  TRP  43           HE3      TRP  43  -0.974  11.841   2.656
  345    HZ2  TRP  43           HZ2      TRP  43  -3.705   8.030   4.300
  346    HZ3  TRP  43           HZ3      TRP  43  -0.248   9.511   2.224
  347    HH2  TRP  43           HH2      TRP  43  -1.607   7.605   3.041
  348    H    GLY  44           H        GLY  44  -5.448  15.075   3.142
  349   1HA   GLY  44          1HA       GLY  44  -7.116  13.051   2.058
  350   2HA   GLY  44          2HA       GLY  44  -7.665  14.667   2.497
  351    H    THR  45           H        THR  45  -5.582  15.773   0.529
  352    HA   THR  45           HA       THR  45  -7.383  15.676  -1.819
  353    HB   THR  45           HB       THR  45  -4.853  17.242  -1.163
  354    HG1  THR  45           HG1      THR  45  -6.412  18.911  -0.813
  355   1HG2  THR  45          1HG2      THR  45  -6.267  16.905  -3.623
  356   2HG2  THR  45          2HG2      THR  45  -4.912  17.983  -3.286
  357   3HG2  THR  45          3HG2      THR  45  -6.567  18.544  -3.045
  358    H    ALA  46           H        ALA  46  -3.813  15.404  -1.385
  359    HA   ALA  46           HA       ALA  46  -3.138  14.400  -3.906
  360   1HB   ALA  46          1HB       ALA  46  -1.557  15.010  -2.111
  361   2HB   ALA  46          2HB       ALA  46  -1.218  13.375  -2.678
  362   3HB   ALA  46          3HB       ALA  46  -2.082  13.620  -1.160
  363    H    LEU  47           H        LEU  47  -3.907  12.405  -1.027
  364    HA   LEU  47           HA       LEU  47  -4.319  10.035  -2.767
  365   1HB   LEU  47          1HB       LEU  47  -4.134  10.604   0.202
  366   2HB   LEU  47          2HB       LEU  47  -4.678   9.035  -0.385
  367    HG   LEU  47           HG       LEU  47  -2.280   8.940   0.036
  368   1HD1  LEU  47          1HD1      LEU  47  -3.377   7.916  -2.099
  369   2HD1  LEU  47          2HD1      LEU  47  -1.617   7.983  -1.999
  370   3HD1  LEU  47          3HD1      LEU  47  -2.492   9.178  -2.956
  371   1HD2  LEU  47          1HD2      LEU  47  -1.857  11.074  -2.051
  372   2HD2  LEU  47          2HD2      LEU  47  -0.713  10.460  -0.856
  373   3HD2  LEU  47          3HD2      LEU  47  -2.051  11.491  -0.348
  374    H    GLU  48           H        GLU  48  -6.223  12.326  -2.874
  375    HA   GLU  48           HA       GLU  48  -8.574  11.759  -1.324
  376   1HB   GLU  48          1HB       GLU  48  -9.575  13.411  -2.838
  377   2HB   GLU  48          2HB       GLU  48  -7.941  13.916  -2.438
  378   1HG   GLU  48          1HG       GLU  48  -7.265  12.617  -4.603
  379   2HG   GLU  48          2HG       GLU  48  -8.971  12.764  -5.020
  380    H    ASP  49           H        ASP  49  -8.234   9.256  -1.969
  381    HA   ASP  49           HA       ASP  49 -10.482   8.596  -3.700
  382   1HB   ASP  49          1HB       ASP  49  -8.433   9.223  -5.171
  383   2HB   ASP  49          2HB       ASP  49  -7.757   7.686  -4.635
  384    H    TYR  50           H        TYR  50  -7.548   7.445  -2.036
  385    HA   TYR  50           HA       TYR  50  -9.068   4.958  -1.317
  386   1HB   TYR  50          1HB       TYR  50  -6.114   5.319  -1.946
  387   2HB   TYR  50          2HB       TYR  50  -6.900   3.791  -1.551
  388    HD1  TYR  50           HD1      TYR  50  -9.391   3.844  -3.021
  389    HD2  TYR  50           HD2      TYR  50  -5.518   5.272  -4.209
  390    HE1  TYR  50           HE1      TYR  50 -10.012   3.545  -5.403
  391    HE2  TYR  50           HE2      TYR  50  -6.139   4.973  -6.591
  392    HH   TYR  50           HH       TYR  50  -8.247   3.168  -7.727
  393    H    LEU  51           H        LEU  51  -9.244   7.047   0.454
  394    HA   LEU  51           HA       LEU  51  -7.261   6.309   2.580
  395   1HB   LEU  51          1HB       LEU  51  -8.583   8.953   1.883
  396   2HB   LEU  51          2HB       LEU  51  -7.618   8.700   3.335
  397    HG   LEU  51           HG       LEU  51  -6.669   8.423   0.467
  398   1HD1  LEU  51          1HD1      LEU  51  -6.125  10.598   0.686
  399   2HD1  LEU  51          2HD1      LEU  51  -5.094  10.185   2.056
  400   3HD1  LEU  51          3HD1      LEU  51  -6.784  10.614   2.321
  401   1HD2  LEU  51          1HD2      LEU  51  -5.442   6.776   1.607
  402   2HD2  LEU  51          2HD2      LEU  51  -5.416   7.700   3.108
  403   3HD2  LEU  51          3HD2      LEU  51  -4.405   8.194   1.751
  404    H    PHE  52           H        PHE  52  -8.285   5.213   4.191
  405    HA   PHE  52           HA       PHE  52 -11.191   5.579   4.660
  406   1HB   PHE  52          1HB       PHE  52  -9.005   3.755   5.717
  407   2HB   PHE  52          2HB       PHE  52 -10.643   3.729   6.367
  408    HD1  PHE  52           HD1      PHE  52 -12.350   2.521   5.281
  409    HD2  PHE  52           HD2      PHE  52  -8.715   3.426   3.180
  410    HE1  PHE  52           HE1      PHE  52 -13.077   1.075   3.402
  411    HE2  PHE  52           HE2      PHE  52  -9.442   1.981   1.300
  412    HZ   PHE  52           HZ       PHE  52 -11.623   0.805   1.411
  413    H    SER  53           H        SER  53 -11.453   7.568   5.730
  414    HA   SER  53           HA       SER  53  -9.594   8.229   7.948
  415   1HB   SER  53          1HB       SER  53  -9.914  10.014   6.433
  416   2HB   SER  53          2HB       SER  53 -11.634   9.670   6.254
  417    HG   SER  53           HG       SER  53 -10.317  11.162   8.141
  418    H    ARG  54           H        ARG  54 -10.406   8.873  10.021
  419    HA   ARG  54           HA       ARG  54 -13.146   7.839  10.669
  420   1HB   ARG  54          1HB       ARG  54 -10.521   7.085  11.578
  421   2HB   ARG  54          2HB       ARG  54 -11.401   7.785  12.936
  422   1HG   ARG  54          1HG       ARG  54 -13.143   6.196  12.779
  423   2HG   ARG  54          2HG       ARG  54 -12.692   5.736  11.137
  424   1HD   ARG  54          1HD       ARG  54 -11.469   4.044  12.028
  425   2HD   ARG  54          2HD       ARG  54 -10.402   5.264  12.750
  426    HE   ARG  54           HE       ARG  54 -11.522   4.934  14.812
  427   1HH1  ARG  54          1HH1      ARG  54 -13.387   3.653  12.166
  428   2HH1  ARG  54          2HH1      ARG  54 -14.573   2.940  13.203
  429   1HH2  ARG  54          1HH2      ARG  54 -13.074   3.998  16.137
  430   2HH2  ARG  54          2HH2      ARG  54 -14.399   3.132  15.434
  431    H    LYS  55           H        LYS  55 -13.452   8.777  13.192
  432    HA   LYS  55           HA       LYS  55 -13.688  11.651  12.802
  433   1HB   LYS  55          1HB       LYS  55 -14.766  11.476  15.055
  434   2HB   LYS  55          2HB       LYS  55 -15.384  10.257  13.940
  435   1HG   LYS  55          1HG       LYS  55 -13.088   9.141  15.181
  436   2HG   LYS  55          2HG       LYS  55 -14.054   9.870  16.463
  437   1HD   LYS  55          1HD       LYS  55 -15.892   8.502  16.041
  438   2HD   LYS  55          2HD       LYS  55 -15.420   8.212  14.367
  439   1HE   LYS  55          1HE       LYS  55 -14.985   6.171  15.614
  440   2HE   LYS  55          2HE       LYS  55 -13.414   6.922  15.277
  441   1HZ   LYS  55          1HZ       LYS  55 -13.694   8.116  17.449
  442   2HZ   LYS  55          2HZ       LYS  55 -13.463   6.439  17.591
  443   3HZ   LYS  55          3HZ       LYS  55 -15.017   7.101  17.774
  444    H    ASN  56           H        ASN  56 -11.337  12.065  12.608
  445    HA   ASN  56           HA       ASN  56  -9.639  11.716  14.975
  446   1HB   ASN  56          1HB       ASN  56  -9.469  14.413  14.832
  447   2HB   ASN  56          2HB       ASN  56 -11.137  14.209  14.299
  448   1HD2  ASN  56          1HD2      ASN  56 -12.701  13.647  15.888
  449   2HD2  ASN  56          2HD2      ASN  56 -12.322  13.371  17.520
  450    H    MET  57           H        MET  57  -9.704  11.287  11.918
  451    HA   MET  57           HA       MET  57  -7.789  13.103  10.738
  452   1HB   MET  57          1HB       MET  57  -5.805  11.583  10.936
  453   2HB   MET  57          2HB       MET  57  -6.358  12.168  12.504
  454   1HG   MET  57          1HG       MET  57  -7.840   9.812  11.947
  455   2HG   MET  57          2HG       MET  57  -6.158   9.451  11.559
  456   1HE   MET  57          1HE       MET  57  -4.292  10.349  12.883
  457   2HE   MET  57          2HE       MET  57  -4.183  10.276  14.642
  458   3HE   MET  57          3HE       MET  57  -4.810  11.726  13.857
  459    H    SER  58           H        SER  58  -6.408  11.494   9.023
  460    HA   SER  58           HA       SER  58  -8.480   9.766   7.719
  461   1HB   SER  58          1HB       SER  58  -6.535  11.486   6.190
  462   2HB   SER  58          2HB       SER  58  -8.118  10.896   5.685
  463    HG   SER  58           HG       SER  58  -7.879  13.200   6.368
  464    H    ALA  59           H        ALA  59  -7.664   7.824   6.887
  465    HA   ALA  59           HA       ALA  59  -4.684   7.463   7.017
  466   1HB   ALA  59          1HB       ALA  59  -5.699   4.970   7.418
  467   2HB   ALA  59          2HB       ALA  59  -7.009   5.941   8.088
  468   3HB   ALA  59          3HB       ALA  59  -5.377   6.094   8.738
  469    H    MET  60           H        MET  60  -4.030   5.464   5.641
  470    HA   MET  60           HA       MET  60  -5.583   5.505   3.074
  471   1HB   MET  60          1HB       MET  60  -3.335   6.591   3.057
  472   2HB   MET  60          2HB       MET  60  -2.620   5.070   3.590
  473   1HG   MET  60          1HG       MET  60  -2.970   4.032   1.548
  474   2HG   MET  60          2HG       MET  60  -4.363   5.041   1.157
  475   1HE   MET  60          1HE       MET  60  -2.889   4.566  -1.092
  476   2HE   MET  60          2HE       MET  60  -2.222   6.049  -1.774
  477   3HE   MET  60          3HE       MET  60  -3.881   6.021  -1.178
  478    H    ALA  61           H        ALA  61  -5.756   3.480   1.942
  479    HA   ALA  61           HA       ALA  61  -5.708   1.122   3.724
  480   1HB   ALA  61          1HB       ALA  61  -6.889   1.976   1.123
  481   2HB   ALA  61          2HB       ALA  61  -7.639   1.101   2.458
  482   3HB   ALA  61          3HB       ALA  61  -6.604   0.246   1.314
  483    H    LEU  62           H        LEU  62  -3.423   0.717   3.908
  484    HA   LEU  62           HA       LEU  62  -1.403  -0.321   3.276
  485   1HB   LEU  62          1HB       LEU  62  -0.855   0.450   0.766
  486   2HB   LEU  62          2HB       LEU  62  -2.213   1.533   1.068
  487    HG   LEU  62           HG       LEU  62  -1.024   2.139   3.267
  488   1HD1  LEU  62          1HD1      LEU  62   0.964   0.369   1.933
  489   2HD1  LEU  62          2HD1      LEU  62   0.681   0.647   3.651
  490   3HD1  LEU  62          3HD1      LEU  62   1.593   1.824   2.706
  491   1HD2  LEU  62          1HD2      LEU  62  -0.697   3.063   0.584
  492   2HD2  LEU  62          2HD2      LEU  62   0.867   3.183   1.391
  493   3HD2  LEU  62          3HD2      LEU  62  -0.545   3.987   2.077
  494    H    GLY  63           H        GLY  63  -3.132  -2.272   3.275
  495   1HA   GLY  63          1HA       GLY  63  -2.325  -4.046   1.185
  496   2HA   GLY  63          2HA       GLY  63  -3.621  -4.365   2.336
  497    H    PHE  64           H        PHE  64  -5.213  -5.106   0.951
  498    HA   PHE  64           HA       PHE  64  -5.812  -3.639  -1.543
  499   1HB   PHE  64          1HB       PHE  64  -6.843  -6.136  -0.163
  500   2HB   PHE  64          2HB       PHE  64  -7.525  -5.545  -1.678
  501    HD1  PHE  64           HD1      PHE  64  -6.522  -6.119  -3.724
  502    HD2  PHE  64           HD2      PHE  64  -4.268  -6.485  -0.085
  503    HE1  PHE  64           HE1      PHE  64  -4.676  -7.201  -4.977
  504    HE2  PHE  64           HE2      PHE  64  -2.422  -7.567  -1.338
  505    HZ   PHE  64           HZ       PHE  64  -2.625  -7.925  -3.784
  506    H    GLY  65           H        GLY  65  -6.278  -2.078   0.812
  507   1HA   GLY  65          1HA       GLY  65  -9.160  -2.198   1.384
  508   2HA   GLY  65          2HA       GLY  65  -8.018  -1.035   2.056
  509    H    ALA  66           H        ALA  66  -7.029  -0.579  -0.819
  510    HA   ALA  66           HA       ALA  66  -8.940   1.586  -1.423
  511   1HB   ALA  66          1HB       ALA  66  -7.123   2.216  -3.003
  512   2HB   ALA  66          2HB       ALA  66  -6.305   0.693  -2.657
  513   3HB   ALA  66          3HB       ALA  66  -6.480   1.907  -1.390
  514    H    ILE  67           H        ILE  67  -7.324  -0.923  -3.389
  515    HA   ILE  67           HA       ILE  67  -8.735  -0.784  -5.735
  516    HB   ILE  67           HB       ILE  67  -8.332  -3.312  -5.833
  517   1HG1  ILE  67          1HG1      ILE  67  -6.865  -4.138  -3.910
  518   2HG1  ILE  67          2HG1      ILE  67  -7.456  -2.763  -2.985
  519   1HG2  ILE  67          1HG2      ILE  67  -6.132  -2.914  -6.315
  520   2HG2  ILE  67          2HG2      ILE  67  -5.837  -2.092  -4.782
  521   3HG2  ILE  67          3HG2      ILE  67  -6.632  -1.235  -6.103
  522   1HD1  ILE  67          1HD1      ILE  67  -9.620  -4.214  -4.301
  523   2HD1  ILE  67          2HD1      ILE  67  -9.444  -3.758  -2.606
  524   3HD1  ILE  67          3HD1      ILE  67  -8.695  -5.237  -3.202
  525    H    PHE  68           H        PHE  68 -10.110  -1.919  -2.692
  526    HA   PHE  68           HA       PHE  68 -12.216  -3.549  -3.519
  527   1HB   PHE  68          1HB       PHE  68 -11.825  -1.470  -1.398
  528   2HB   PHE  68          2HB       PHE  68 -13.436  -2.148  -1.601
  529    HD1  PHE  68           HD1      PHE  68 -12.958  -4.914  -2.343
  530    HD2  PHE  68           HD2      PHE  68 -10.869  -2.459   0.494
  531    HE1  PHE  68           HE1      PHE  68 -12.259  -6.944  -1.102
  532    HE2  PHE  68           HE2      PHE  68 -10.169  -4.486   1.735
  533    HZ   PHE  68           HZ       PHE  68 -10.865  -6.731   0.937
  534    H    ASN  69           H        ASN  69 -14.414  -3.120  -4.162
  535    HA   ASN  69           HA       ASN  69 -14.763  -0.473  -5.531
  536   1HB   ASN  69          1HB       ASN  69 -15.407  -3.340  -6.212
  537   2HB   ASN  69          2HB       ASN  69 -16.287  -2.031  -6.997
  538   1HD2  ASN  69          1HD2      ASN  69 -15.031  -3.091  -8.947
  539   2HD2  ASN  69          2HD2      ASN  69 -13.489  -2.453  -9.274
  540    H    HIS  70           H        HIS  70 -17.361  -0.505  -6.166
  541    HA   HIS  70           HA       HIS  70 -18.766  -0.584  -3.528
  542   1HB   HIS  70          1HB       HIS  70 -18.571   1.550  -4.850
  543   2HB   HIS  70          2HB       HIS  70 -19.471   0.778  -6.155
  544    HD1  HIS  70           HD1      HIS  70 -21.590   2.201  -5.967
  545    HD2  HIS  70           HD2      HIS  70 -20.542   0.367  -2.374
  546    HE1  HIS  70           HE1      HIS  70 -23.548   2.534  -4.395
  547    H    SER  71           H        SER  71 -20.968  -1.493  -3.508
  548    HA   SER  71           HA       SER  71 -21.923  -2.961  -5.866
  549   1HB   SER  71          1HB       SER  71 -20.195  -4.463  -5.054
  550   2HB   SER  71          2HB       SER  71 -20.789  -4.324  -3.399
  551    HG   SER  71           HG       SER  71 -21.812  -6.082  -3.992
  552    H    LYS  72           H        LYS  72 -24.132  -3.363  -5.692
  553    HA   LYS  72           HA       LYS  72 -25.740  -2.025  -3.795
  554   1HB   LYS  72          1HB       LYS  72 -26.327  -4.527  -5.400
  555   2HB   LYS  72          2HB       LYS  72 -27.518  -3.430  -4.727
  556   1HG   LYS  72          1HG       LYS  72 -25.926  -1.689  -6.102
  557   2HG   LYS  72          2HG       LYS  72 -25.809  -3.128  -7.118
  558   1HD   LYS  72          1HD       LYS  72 -27.873  -2.735  -7.917
  559   2HD   LYS  72          2HD       LYS  72 -28.508  -2.857  -6.275
  560   1HE   LYS  72          1HE       LYS  72 -29.117  -0.657  -7.090
  561   2HE   LYS  72          2HE       LYS  72 -27.767  -0.415  -5.965
  562   1HZ   LYS  72          1HZ       LYS  72 -27.410   0.715  -8.111
  563   2HZ   LYS  72          2HZ       LYS  72 -27.497  -0.784  -8.907
  564   3HZ   LYS  72          3HZ       LYS  72 -26.234  -0.474  -7.814
  565    H    ASP  73           H        ASP  73 -24.259  -5.222  -3.667
  566    HA   ASP  73           HA       ASP  73 -25.380  -5.558  -0.904
  567   1HB   ASP  73          1HB       ASP  73 -25.331  -7.309  -3.316
  568   2HB   ASP  73          2HB       ASP  73 -25.016  -8.105  -1.774
  569    HA   PRO  74           HA       PRO  74 -20.792  -5.402  -0.579
  570   1HB   PRO  74          1HB       PRO  74 -21.604  -5.249   2.289
  571   2HB   PRO  74          2HB       PRO  74 -20.459  -4.236   1.391
  572   1HG   PRO  74          1HG       PRO  74 -22.898  -3.366   2.089
  573   2HG   PRO  74          2HG       PRO  74 -22.105  -2.859   0.592
  574   1HD   PRO  74          1HD       PRO  74 -24.360  -4.746   0.992
  575   2HD   PRO  74          2HD       PRO  74 -23.998  -3.686  -0.385
  576    H    ASN  75           H        ASN  75 -20.249  -7.554  -0.991
  577    HA   ASN  75           HA       ASN  75 -21.254  -9.738   0.694
  578   1HB   ASN  75          1HB       ASN  75 -19.159  -9.591  -1.507
  579   2HB   ASN  75          2HB       ASN  75 -19.855 -11.079  -0.865
  580   1HD2  ASN  75          1HD2      ASN  75 -20.404  -8.396  -3.039
  581   2HD2  ASN  75          2HD2      ASN  75 -21.933  -8.892  -3.585
  582    H    ALA  76           H        ALA  76 -18.463  -7.655   0.608
  583    HA   ALA  76           HA       ALA  76 -17.323  -9.153   2.928
  584   1HB   ALA  76          1HB       ALA  76 -15.090  -8.364   1.566
  585   2HB   ALA  76          2HB       ALA  76 -16.196  -8.650   0.223
  586   3HB   ALA  76          3HB       ALA  76 -15.837  -9.948   1.361
  587    H    ARG  77           H        ARG  77 -16.473  -7.781   4.499
  588    HA   ARG  77           HA       ARG  77 -16.448  -4.849   3.854
  589   1HB   ARG  77          1HB       ARG  77 -18.114  -6.233   5.551
  590   2HB   ARG  77          2HB       ARG  77 -16.836  -5.727   6.655
  591   1HG   ARG  77          1HG       ARG  77 -17.105  -3.396   5.917
  592   2HG   ARG  77          2HG       ARG  77 -18.356  -3.891   4.777
  593   1HD   ARG  77          1HD       ARG  77 -19.932  -3.869   6.410
  594   2HD   ARG  77          2HD       ARG  77 -18.925  -4.880   7.464
  595    HE   ARG  77           HE       ARG  77 -17.675  -2.391   7.486
  596   1HH1  ARG  77          1HH1      ARG  77 -20.870  -3.580   8.194
  597   2HH1  ARG  77          2HH1      ARG  77 -21.187  -2.351   9.368
  598   1HH2  ARG  77          1HH2      ARG  77 -18.110  -0.806   9.015
  599   2HH2  ARG  77          2HH2      ARG  77 -19.637  -0.791   9.831
  600    H    HIS  78           H        HIS  78 -15.187  -3.830   6.015
  601    HA   HIS  78           HA       HIS  78 -12.615  -5.359   6.245
  602   1HB   HIS  78          1HB       HIS  78 -11.504  -3.125   5.992
  603   2HB   HIS  78          2HB       HIS  78 -12.445  -3.573   4.569
  604    HD1  HIS  78           HD1      HIS  78 -14.915  -2.478   4.435
  605    HD2  HIS  78           HD2      HIS  78 -12.302  -0.738   7.178
  606    HE1  HIS  78           HE1      HIS  78 -15.898  -0.220   5.028
  607    H    GLU  79           H        GLU  79 -11.231  -4.291   8.072
  608    HA   GLU  79           HA       GLU  79 -12.867  -3.124  10.261
  609   1HB   GLU  79          1HB       GLU  79 -13.060  -5.610  10.380
  610   2HB   GLU  79          2HB       GLU  79 -11.303  -5.728  10.450
  611   1HG   GLU  79          1HG       GLU  79 -11.395  -4.248  12.511
  612   2HG   GLU  79          2HG       GLU  79 -13.146  -4.452  12.487
  613    H    LEU  80           H        LEU  80 -11.601  -1.839  11.624
  614    HA   LEU  80           HA       LEU  80  -8.710  -1.613  10.907
  615   1HB   LEU  80          1HB       LEU  80 -10.903   0.162  11.832
  616   2HB   LEU  80          2HB       LEU  80  -9.316   0.517  12.514
  617    HG   LEU  80           HG       LEU  80  -9.685   0.074   9.551
  618   1HD1  LEU  80          1HD1      LEU  80 -10.236   2.524  11.202
  619   2HD1  LEU  80          2HD1      LEU  80 -11.128   1.892   9.818
  620   3HD1  LEU  80          3HD1      LEU  80  -9.580   2.700   9.574
  621   1HD2  LEU  80          1HD2      LEU  80  -7.472   0.461  11.240
  622   2HD2  LEU  80          2HD2      LEU  80  -7.709   2.009  10.428
  623   3HD2  LEU  80          3HD2      LEU  80  -7.481   0.541   9.478
  624    H    THR  81           H        THR  81  -7.115  -1.870  12.500
  625    HA   THR  81           HA       THR  81  -7.869  -3.387  14.885
  626    HB   THR  81           HB       THR  81  -5.391  -3.436  15.168
  627    HG1  THR  81           HG1      THR  81  -4.213  -1.992  14.222
  628   1HG2  THR  81          1HG2      THR  81  -6.228  -3.807  12.277
  629   2HG2  THR  81          2HG2      THR  81  -6.555  -4.968  13.563
  630   3HG2  THR  81          3HG2      THR  81  -4.891  -4.614  13.097
  631    H    ALA  82           H        ALA  82  -9.128  -1.740  16.044
  632    HA   ALA  82           HA       ALA  82  -9.377   0.010  17.611
  633   1HB   ALA  82          1HB       ALA  82  -7.965  -1.416  18.917
  634   2HB   ALA  82          2HB       ALA  82  -7.244   0.188  19.052
  635   3HB   ALA  82          3HB       ALA  82  -6.543  -1.006  17.958
  636    H    GLY  83           H        GLY  83  -9.649   1.828  16.221
  637   1HA   GLY  83          1HA       GLY  83  -9.061   4.030  15.601
  638   2HA   GLY  83          2HA       GLY  83  -7.461   3.753  16.288
  639    H    LEU  84           H        LEU  84  -6.266   4.519  14.522
  640    HA   LEU  84           HA       LEU  84  -6.694   3.143  11.896
  641   1HB   LEU  84          1HB       LEU  84  -6.147   5.850  12.804
  642   2HB   LEU  84          2HB       LEU  84  -4.907   5.326  11.672
  643    HG   LEU  84           HG       LEU  84  -6.560   4.809   9.987
  644   1HD1  LEU  84          1HD1      LEU  84  -9.020   5.638  10.805
  645   2HD1  LEU  84          2HD1      LEU  84  -8.397   4.963  12.310
  646   3HD1  LEU  84          3HD1      LEU  84  -8.492   3.956  10.865
  647   1HD2  LEU  84          1HD2      LEU  84  -7.519   7.029   9.612
  648   2HD2  LEU  84          2HD2      LEU  84  -5.888   7.196  10.259
  649   3HD2  LEU  84          3HD2      LEU  84  -7.283   7.443  11.309
  650    H    LYS  85           H        LYS  85  -5.394   1.283  12.150
  651    HA   LYS  85           HA       LYS  85  -2.463   1.802  12.324
  652   1HB   LYS  85          1HB       LYS  85  -4.202   0.089  14.105
  653   2HB   LYS  85          2HB       LYS  85  -2.503  -0.323  13.872
  654   1HG   LYS  85          1HG       LYS  85  -3.374   2.458  14.672
  655   2HG   LYS  85          2HG       LYS  85  -3.059   1.201  15.868
  656   1HD   LYS  85          1HD       LYS  85  -0.790   1.150  15.419
  657   2HD   LYS  85          2HD       LYS  85  -1.004   1.662  13.745
  658   1HE   LYS  85          1HE       LYS  85  -1.875   3.902  14.915
  659   2HE   LYS  85          2HE       LYS  85  -0.830   3.327  16.227
  660   1HZ   LYS  85          1HZ       LYS  85   0.041   3.356  13.392
  661   2HZ   LYS  85          2HZ       LYS  85   1.005   3.190  14.781
  662   3HZ   LYS  85          3HZ       LYS  85   0.287   4.686  14.418
  663    H    ARG  86           H        ARG  86  -4.882  -0.833  12.018
  664    HA   ARG  86           HA       ARG  86  -3.427  -1.769   9.575
  665   1HB   ARG  86          1HB       ARG  86  -3.604  -2.988  12.177
  666   2HB   ARG  86          2HB       ARG  86  -4.482  -3.996  11.027
  667   1HG   ARG  86          1HG       ARG  86  -2.236  -3.360   9.589
  668   2HG   ARG  86          2HG       ARG  86  -1.588  -3.451  11.226
  669   1HD   ARG  86          1HD       ARG  86  -3.461  -5.636  10.537
  670   2HD   ARG  86          2HD       ARG  86  -1.944  -5.638   9.618
  671    HE   ARG  86           HE       ARG  86  -1.304  -5.085  12.328
  672   1HH1  ARG  86          1HH1      ARG  86  -2.608  -7.668  10.393
  673   2HH1  ARG  86          2HH1      ARG  86  -2.007  -8.905  11.441
  674   1HH2  ARG  86          1HH2      ARG  86  -0.534  -6.710  13.674
  675   2HH2  ARG  86          2HH2      ARG  86  -0.842  -8.370  13.285
  676    H    MET  87           H        MET  87  -4.909  -3.517   8.454
  677    HA   MET  87           HA       MET  87  -7.801  -2.899   8.861
  678   1HB   MET  87          1HB       MET  87  -6.013  -2.207   6.590
  679   2HB   MET  87          2HB       MET  87  -7.586  -2.865   6.142
  680   1HG   MET  87          1HG       MET  87  -8.566  -1.169   7.827
  681   2HG   MET  87          2HG       MET  87  -6.987  -0.386   7.761
  682   1HE   MET  87          1HE       MET  87  -8.964  -2.232   4.675
  683   2HE   MET  87          2HE       MET  87 -10.122  -0.912   4.505
  684   3HE   MET  87          3HE       MET  87  -9.953  -1.742   6.051
  685    H    ARG  88           H        ARG  88  -8.964  -4.774   8.785
  686    HA   ARG  88           HA       ARG  88  -7.729  -7.144   7.427
  687   1HB   ARG  88          1HB       ARG  88  -9.716  -6.951   9.714
  688   2HB   ARG  88          2HB       ARG  88  -9.029  -8.444   9.080
  689   1HG   ARG  88          1HG       ARG  88  -6.879  -7.944   9.891
  690   2HG   ARG  88          2HG       ARG  88  -7.241  -6.225  10.052
  691   1HD   ARG  88          1HD       ARG  88  -8.943  -6.859  11.832
  692   2HD   ARG  88          2HD       ARG  88  -8.265  -8.497  11.781
  693    HE   ARG  88           HE       ARG  88  -6.237  -6.401  12.034
  694   1HH1  ARG  88          1HH1      ARG  88  -8.431  -8.519  13.716
  695   2HH1  ARG  88          2HH1      ARG  88  -7.512  -8.486  15.181
  696   1HH2  ARG  88          1HH2      ARG  88  -5.063  -6.375  13.947
  697   2HH2  ARG  88          2HH2      ARG  88  -5.620  -7.282  15.313
  698    H    ILE  89           H        ILE  89  -8.999  -8.227   5.898
  699    HA   ILE  89           HA       ILE  89 -11.591  -6.936   5.190
  700    HB   ILE  89           HB       ILE  89  -9.697  -8.837   3.762
  701   1HG1  ILE  89          1HG1      ILE  89 -10.335  -6.144   2.710
  702   2HG1  ILE  89          2HG1      ILE  89  -9.420  -6.163   4.215
  703   1HG2  ILE  89          1HG2      ILE  89 -12.117  -7.424   2.611
  704   2HG2  ILE  89          2HG2      ILE  89 -12.156  -9.099   3.162
  705   3HG2  ILE  89          3HG2      ILE  89 -11.105  -8.635   1.823
  706   1HD1  ILE  89          1HD1      ILE  89  -8.103  -8.086   2.808
  707   2HD1  ILE  89          2HD1      ILE  89  -7.625  -6.389   2.828
  708   3HD1  ILE  89          3HD1      ILE  89  -8.605  -7.014   1.500
  709    H    PHE  90           H        PHE  90 -13.285  -7.913   6.238
  710    HA   PHE  90           HA       PHE  90 -13.196 -10.866   6.682
  711   1HB   PHE  90          1HB       PHE  90 -14.434  -8.464   7.961
  712   2HB   PHE  90          2HB       PHE  90 -15.316  -9.984   8.097
  713    HD1  PHE  90           HD1      PHE  90 -14.112 -12.019   9.040
  714    HD2  PHE  90           HD2      PHE  90 -12.510  -8.040   9.274
  715    HE1  PHE  90           HE1      PHE  90 -12.579 -12.743  10.851
  716    HE2  PHE  90           HE2      PHE  90 -10.977  -8.763  11.084
  717    HZ   PHE  90           HZ       PHE  90 -11.011 -11.114  11.873
  718    H    THR  91           H        THR  91 -15.449 -11.914   6.510
  719    HA   THR  91           HA       THR  91 -16.866 -10.854   4.086
  720    HB   THR  91           HB       THR  91 -17.359 -13.292   3.694
  721    HG1  THR  91           HG1      THR  91 -16.880 -14.672   5.187
  722   1HG2  THR  91          1HG2      THR  91 -15.459 -12.370   2.543
  723   2HG2  THR  91          2HG2      THR  91 -14.951 -13.926   3.199
  724   3HG2  THR  91          3HG2      THR  91 -14.471 -12.432   4.003
  725    H    ILE  92           H        ILE  92 -18.875 -10.094   4.633
  726    HA   ILE  92           HA       ILE  92 -20.143 -10.928   7.159
  727    HB   ILE  92           HB       ILE  92 -21.692  -9.113   6.621
  728   1HG1  ILE  92          1HG1      ILE  92 -20.351  -9.098   3.896
  729   2HG1  ILE  92          2HG1      ILE  92 -22.006  -9.605   4.231
  730   1HG2  ILE  92          1HG2      ILE  92 -19.557  -8.386   7.498
  731   2HG2  ILE  92          2HG2      ILE  92 -20.028  -7.262   6.223
  732   3HG2  ILE  92          3HG2      ILE  92 -18.811  -8.499   5.904
  733   1HD1  ILE  92          1HD1      ILE  92 -22.709  -7.471   4.104
  734   2HD1  ILE  92          2HD1      ILE  92 -21.067  -6.974   3.693
  735   3HD1  ILE  92          3HD1      ILE  92 -21.583  -7.006   5.379
  736    H    LYS  93           H        LYS  93 -19.943 -12.588   4.432
  737    HA   LYS  93           HA       LYS  93 -22.348 -14.097   4.855
  738   1HB   LYS  93          1HB       LYS  93 -23.461 -13.400   2.686
  739   2HB   LYS  93          2HB       LYS  93 -23.427 -12.133   3.911
  740   1HG   LYS  93          1HG       LYS  93 -21.914 -10.855   2.743
  741   2HG   LYS  93          2HG       LYS  93 -21.110 -12.257   2.040
  742   1HD   LYS  93          1HD       LYS  93 -22.225 -11.387   0.184
  743   2HD   LYS  93          2HD       LYS  93 -23.395 -12.569   0.771
  744   1HE   LYS  93          1HE       LYS  93 -24.422 -10.654   2.142
  745   2HE   LYS  93          2HE       LYS  93 -23.429  -9.564   1.156
  746   1HZ   LYS  93          1HZ       LYS  93 -25.675 -10.045   0.207
  747   2HZ   LYS  93          2HZ       LYS  93 -25.203 -11.667   0.029
  748   3HZ   LYS  93          3HZ       LYS  93 -24.388 -10.447  -0.826
  749    HA   PRO  94           HA       PRO  94 -19.886 -17.113   2.816
  750   1HB   PRO  94          1HB       PRO  94 -22.458 -17.933   1.665
  751   2HB   PRO  94          2HB       PRO  94 -21.205 -18.927   2.404
  752   1HG   PRO  94          1HG       PRO  94 -23.354 -18.294   3.746
  753   2HG   PRO  94          2HG       PRO  94 -21.799 -18.275   4.535
  754   1HD   PRO  94          1HD       PRO  94 -23.512 -16.010   3.646
  755   2HD   PRO  94          2HD       PRO  94 -22.429 -16.130   5.047
  756    H    ILE  95           H        ILE  95 -18.755 -17.050   0.852
  757    HA   ILE  95           HA       ILE  95 -20.051 -15.516  -1.379
  758    HB   ILE  95           HB       ILE  95 -17.125 -15.876  -0.630
  759   1HG1  ILE  95          1HG1      ILE  95 -18.977 -13.500  -0.271
  760   2HG1  ILE  95          2HG1      ILE  95 -18.409 -14.551   1.026
  761   1HG2  ILE  95          1HG2      ILE  95 -18.266 -15.141  -3.068
  762   2HG2  ILE  95          2HG2      ILE  95 -16.606 -14.827  -2.561
  763   3HG2  ILE  95          3HG2      ILE  95 -17.851 -13.604  -2.309
  764   1HD1  ILE  95          1HD1      ILE  95 -16.209 -13.570  -0.622
  765   2HD1  ILE  95          2HD1      ILE  95 -16.416 -13.491   1.128
  766   3HD1  ILE  95          3HD1      ILE  95 -17.131 -12.250   0.098
  767    H    ALA  96           H        ALA  96 -20.041 -16.447  -3.422
  768    HA   ALA  96           HA       ALA  96 -19.278 -19.299  -3.605
  769   1HB   ALA  96          1HB       ALA  96 -21.180 -17.451  -4.755
  770   2HB   ALA  96          2HB       ALA  96 -21.169 -19.212  -4.852
  771   3HB   ALA  96          3HB       ALA  96 -20.291 -18.257  -6.047
  772    H    ILE  97           H        ILE  97 -17.855 -20.082  -5.264
  773    HA   ILE  97           HA       ILE  97 -15.429 -18.773  -5.674
  774    HB   ILE  97           HB       ILE  97 -16.937 -20.761  -7.414
  775   1HG1  ILE  97          1HG1      ILE  97 -14.804 -21.919  -5.928
  776   2HG1  ILE  97          2HG1      ILE  97 -15.735 -20.919  -4.812
  777   1HG2  ILE  97          1HG2      ILE  97 -14.077 -21.063  -7.481
  778   2HG2  ILE  97          2HG2      ILE  97 -14.493 -19.412  -7.940
  779   3HG2  ILE  97          3HG2      ILE  97 -15.182 -20.773  -8.824
  780   1HD1  ILE  97          1HD1      ILE  97 -17.410 -22.490  -6.647
  781   2HD1  ILE  97          2HD1      ILE  97 -17.529 -22.306  -4.897
  782   3HD1  ILE  97          3HD1      ILE  97 -16.411 -23.483  -5.586
  783    H    GLY  98           H        GLY  98 -18.440 -18.235  -7.376
  784   1HA   GLY  98          1HA       GLY  98 -16.984 -16.544  -9.360
  785   2HA   GLY  98          2HA       GLY  98 -18.580 -17.242  -9.633
  786    H    GLU  99           H        GLU  99 -17.074 -15.222  -7.060
  787    HA   GLU  99           HA       GLU  99 -19.444 -13.392  -7.353
  788   1HB   GLU  99          1HB       GLU  99 -18.157 -14.746  -5.026
  789   2HB   GLU  99          2HB       GLU  99 -18.722 -13.096  -4.761
  790   1HG   GLU  99          1HG       GLU  99 -20.393 -15.377  -5.861
  791   2HG   GLU  99          2HG       GLU  99 -20.489 -14.737  -4.220
  792    H    GLU 100           H        GLU 100 -18.874 -11.188  -6.215
  793    HA   GLU 100           HA       GLU 100 -16.060 -10.445  -6.947
  794   1HB   GLU 100          1HB       GLU 100 -18.159  -9.668  -8.344
  795   2HB   GLU 100          2HB       GLU 100 -18.407  -8.548  -7.004
  796   1HG   GLU 100          1HG       GLU 100 -15.702  -8.285  -7.513
  797   2HG   GLU 100          2HG       GLU 100 -16.373  -8.505  -9.128
  798    H    ILE 101           H        ILE 101 -14.915  -9.585  -5.281
  799    HA   ILE 101           HA       ILE 101 -16.304  -9.036  -2.726
  800    HB   ILE 101           HB       ILE 101 -13.353  -9.034  -3.446
  801   1HG1  ILE 101          1HG1      ILE 101 -15.116 -11.291  -2.449
  802   2HG1  ILE 101          2HG1      ILE 101 -14.367 -11.184  -4.033
  803   1HG2  ILE 101          1HG2      ILE 101 -12.931  -8.849  -1.214
  804   2HG2  ILE 101          2HG2      ILE 101 -14.316  -9.847  -0.775
  805   3HG2  ILE 101          3HG2      ILE 101 -14.546  -8.142  -1.166
  806   1HD1  ILE 101          1HD1      ILE 101 -12.437 -12.030  -3.246
  807   2HD1  ILE 101          2HD1      ILE 101 -13.242 -12.302  -1.701
  808   3HD1  ILE 101          3HD1      ILE 101 -12.370 -10.796  -1.988
  809    H    THR 102           H        THR 102 -16.932  -6.993  -2.296
  810    HA   THR 102           HA       THR 102 -15.165  -4.711  -2.955
  811    HB   THR 102           HB       THR 102 -17.025  -3.579  -4.128
  812    HG1  THR 102           HG1      THR 102 -18.815  -4.432  -3.246
  813   1HG2  THR 102          1HG2      THR 102 -16.942  -4.833  -6.154
  814   2HG2  THR 102          2HG2      THR 102 -16.734  -6.354  -5.286
  815   3HG2  THR 102          3HG2      THR 102 -15.425  -5.174  -5.322
  816    H    ILE 103           H        ILE 103 -15.127  -3.478  -1.112
  817    HA   ILE 103           HA       ILE 103 -17.207  -3.877   0.950
  818    HB   ILE 103           HB       ILE 103 -15.612  -2.572   2.314
  819   1HG1  ILE 103          1HG1      ILE 103 -13.450  -2.311   0.460
  820   2HG1  ILE 103          2HG1      ILE 103 -14.871  -1.542  -0.246
  821   1HG2  ILE 103          1HG2      ILE 103 -14.912  -4.956   0.774
  822   2HG2  ILE 103          2HG2      ILE 103 -14.667  -4.619   2.488
  823   3HG2  ILE 103          3HG2      ILE 103 -13.488  -4.059   1.301
  824   1HD1  ILE 103          1HD1      ILE 103 -15.197  -0.404   2.027
  825   2HD1  ILE 103          2HD1      ILE 103 -13.821   0.149   1.073
  826   3HD1  ILE 103          3HD1      ILE 103 -13.570  -0.958   2.422
  827    H    SER 104           H        SER 104 -18.276  -2.023   1.959
  828    HA   SER 104           HA       SER 104 -19.209  -0.077  -0.031
  829   1HB   SER 104          1HB       SER 104 -20.950   0.212   1.503
  830   2HB   SER 104          2HB       SER 104 -20.425  -1.417   1.912
  831    HG   SER 104           HG       SER 104 -20.064  -0.659   3.818
  832    H    TYR 105           H        TYR 105 -19.678   2.104   1.774
  833    HA   TYR 105           HA       TYR 105 -16.912   2.993   2.496
  834   1HB   TYR 105          1HB       TYR 105 -18.983   4.555   0.906
  835   2HB   TYR 105          2HB       TYR 105 -17.352   5.096   1.302
  836    HD1  TYR 105           HD1      TYR 105 -15.587   2.951   0.770
  837    HD2  TYR 105           HD2      TYR 105 -19.174   4.000  -1.348
  838    HE1  TYR 105           HE1      TYR 105 -14.718   1.823  -1.261
  839    HE2  TYR 105           HE2      TYR 105 -18.306   2.872  -3.378
  840    HH   TYR 105           HH       TYR 105 -15.017   1.736  -3.584
  841    H    GLY 106           H        GLY 106 -20.194   4.441   2.429
  842   1HA   GLY 106          1HA       GLY 106 -20.929   4.324   5.078
  843   2HA   GLY 106          2HA       GLY 106 -19.764   5.648   5.054
  844    H    ASP 107           H        ASP 107 -21.737   6.930   5.703
  845    HA   ASP 107           HA       ASP 107 -23.902   7.318   3.811
  846   1HB   ASP 107          1HB       ASP 107 -23.118   8.077   6.461
  847   2HB   ASP 107          2HB       ASP 107 -23.518   9.548   5.575
  848    H    ASP 108           H        ASP 108 -20.753   8.814   4.324
  849    HA   ASP 108           HA       ASP 108 -21.278  11.150   2.664
  850   1HB   ASP 108          1HB       ASP 108 -18.803   9.786   3.774
  851   2HB   ASP 108          2HB       ASP 108 -18.737  11.304   2.879
  852    H    TYR 109           H        TYR 109 -18.821   8.605   2.124
  853    HA   TYR 109           HA       TYR 109 -18.579   9.027  -0.673
  854   1HB   TYR 109          1HB       TYR 109 -17.825   7.060   1.383
  855   2HB   TYR 109          2HB       TYR 109 -17.985   6.353  -0.224
  856    HD1  TYR 109           HD1      TYR 109 -16.898   9.787   0.798
  857    HD2  TYR 109           HD2      TYR 109 -15.791   6.053  -1.014
  858    HE1  TYR 109           HE1      TYR 109 -14.704  10.749   0.157
  859    HE2  TYR 109           HE2      TYR 109 -13.597   7.015  -1.656
  860    HH   TYR 109           HH       TYR 109 -12.144   9.217  -0.485
  861    H    TRP 110           H        TRP 110 -20.568   9.066  -1.799
  862    HA   TRP 110           HA       TRP 110 -22.508   8.185  -2.823
  863   1HB   TRP 110          1HB       TRP 110 -20.554   5.940  -2.429
  864   2HB   TRP 110          2HB       TRP 110 -22.162   5.548  -3.037
  865    HD1  TRP 110           HD1      TRP 110 -19.526   8.287  -3.818
  866    HE1  TRP 110           HE1      TRP 110 -19.384   8.544  -6.379
  867    HE3  TRP 110           HE3      TRP 110 -22.997   4.825  -5.246
  868    HZ2  TRP 110           HZ2      TRP 110 -20.584   7.429  -8.724
  869    HZ3  TRP 110           HZ3      TRP 110 -23.478   4.443  -7.646
  870    HH2  TRP 110           HH2      TRP 110 -22.277   5.738  -9.386
  871    H    LEU 111           H        LEU 111 -24.080   6.036  -2.426
  872    HA   LEU 111           HA       LEU 111 -25.387   6.537   0.078
  873   1HB   LEU 111          1HB       LEU 111 -26.312   5.631  -2.127
  874   2HB   LEU 111          2HB       LEU 111 -25.597   4.079  -1.691
  875    HG   LEU 111           HG       LEU 111 -26.887   4.192   0.477
  876   1HD1  LEU 111          1HD1      LEU 111 -27.898   6.673  -0.890
  877   2HD1  LEU 111          2HD1      LEU 111 -27.420   6.451   0.793
  878   3HD1  LEU 111          3HD1      LEU 111 -28.949   5.788   0.215
  879   1HD2  LEU 111          1HD2      LEU 111 -27.652   3.252  -1.953
  880   2HD2  LEU 111          2HD2      LEU 111 -28.961   4.390  -1.635
  881   3HD2  LEU 111          3HD2      LEU 111 -28.634   3.081  -0.498
  882    H    SER 112           H        SER 112 -25.628   5.019   1.878
  883    HA   SER 112           HA       SER 112 -23.142   3.431   2.352
  884   1HB   SER 112          1HB       SER 112 -24.115   5.383   3.820
  885   2HB   SER 112          2HB       SER 112 -25.241   4.154   4.395
  886    HG   SER 112           HG       SER 112 -23.607   3.858   5.732
  887    H    ARG 113           H        ARG 113 -26.684   3.224   2.876
  888    HA   ARG 113           HA       ARG 113 -26.414   0.258   3.017
  889   1HB   ARG 113          1HB       ARG 113 -27.482   1.798   4.834
  890   2HB   ARG 113          2HB       ARG 113 -28.844   1.909   3.718
  891   1HG   ARG 113          1HG       ARG 113 -29.290  -0.406   3.849
  892   2HG   ARG 113          2HG       ARG 113 -27.694  -0.767   4.507
  893   1HD   ARG 113          1HD       ARG 113 -28.632   0.934   6.422
  894   2HD   ARG 113          2HD       ARG 113 -30.141   0.157   5.905
  895    HE   ARG 113           HE       ARG 113 -27.918  -1.161   7.266
  896   1HH1  ARG 113          1HH1      ARG 113 -30.561  -1.559   5.037
  897   2HH1  ARG 113          2HH1      ARG 113 -30.714  -3.254   5.350
  898   1HH2  ARG 113          1HH2      ARG 113 -28.134  -3.361   7.655
  899   2HH2  ARG 113          2HH2      ARG 113 -29.351  -4.268   6.820
  900    HA   PRO 114           HA       PRO 114 -28.338   1.228  -1.108
  901   1HB   PRO 114          1HB       PRO 114 -26.938  -0.743  -2.457
  902   2HB   PRO 114          2HB       PRO 114 -26.381   0.932  -2.298
  903   1HG   PRO 114          1HG       PRO 114 -25.562  -1.495  -0.786
  904   2HG   PRO 114          2HG       PRO 114 -24.590  -0.118  -1.323
  905   1HD   PRO 114          1HD       PRO 114 -25.440  -0.446   1.242
  906   2HD   PRO 114          2HD       PRO 114 -25.139   1.143   0.510
  907    H    ARG 115           H        ARG 115 -29.907   0.022   0.628
  908    HA   ARG 115           HA       ARG 115 -30.255  -2.847   0.044
  909   1HB   ARG 115          1HB       ARG 115 -30.681  -1.210   2.199
  910   2HB   ARG 115          2HB       ARG 115 -32.311  -1.315   1.533
  911   1HG   ARG 115          1HG       ARG 115 -31.991  -3.128   3.132
  912   2HG   ARG 115          2HG       ARG 115 -32.085  -3.807   1.508
  913   1HD   ARG 115          1HD       ARG 115 -29.770  -4.250   1.425
  914   2HD   ARG 115          2HD       ARG 115 -29.412  -3.088   2.716
  915    HE   ARG 115           HE       ARG 115 -30.016  -4.748   4.297
  916   1HH1  ARG 115          1HH1      ARG 115 -31.172  -5.573   1.119
  917   2HH1  ARG 115          2HH1      ARG 115 -31.718  -7.140   1.605
  918   1HH2  ARG 115          1HH2      ARG 115 -30.731  -6.787   4.903
  919   2HH2  ARG 115          2HH2      ARG 115 -31.470  -7.825   3.730
  920    H    LEU 116           H        LEU 116 -30.990  -0.178  -1.727
  921    HA   LEU 116           HA       LEU 116 -32.622   0.306  -3.359
  922   1HB   LEU 116          1HB       LEU 116 -32.679  -2.715  -3.065
  923   2HB   LEU 116          2HB       LEU 116 -33.605  -1.883  -4.310
  924    HG   LEU 116           HG       LEU 116 -31.513  -2.575  -5.296
  925   1HD1  LEU 116          1HD1      LEU 116 -30.676   0.204  -4.857
  926   2HD1  LEU 116          2HD1      LEU 116 -32.382   0.045  -5.276
  927   3HD1  LEU 116          3HD1      LEU 116 -31.145  -0.606  -6.351
  928   1HD2  LEU 116          1HD2      LEU 116 -29.477  -2.498  -4.263
  929   2HD2  LEU 116          2HD2      LEU 116 -30.468  -2.452  -2.805
  930   3HD2  LEU 116          3HD2      LEU 116 -29.818  -0.957  -3.477
  931    H    THR 117           H        THR 117 -35.119  -0.449  -3.885
  932    HA   THR 117           HA       THR 117 -37.346  -0.270  -3.126
  933    HB   THR 117           HB       THR 117 -36.092  -1.751  -0.783
  934    HG1  THR 117           HG1      THR 117 -37.393  -2.793  -3.067
  935   1HG2  THR 117          1HG2      THR 117 -38.239  -1.219  -0.045
  936   2HG2  THR 117          2HG2      THR 117 -38.527  -2.754  -0.864
  937   3HG2  THR 117          3HG2      THR 117 -38.912  -1.237  -1.675
  938    H    GLN 118           H        GLN 118 -37.757   1.892  -2.695
  939    HA   GLN 118           HA       GLN 118 -38.106   3.842  -1.418
  940   1HB   GLN 118          1HB       GLN 118 -38.329   1.509   0.322
  941   2HB   GLN 118          2HB       GLN 118 -37.784   2.925   1.219
  942   1HG   GLN 118          1HG       GLN 118 -39.958   3.480  -0.690
  943   2HG   GLN 118          2HG       GLN 118 -40.409   2.379   0.611
  944   1HE2  GLN 118          1HE2      GLN 118 -40.778   3.297   2.667
  945   2HE2  GLN 118          2HE2      GLN 118 -40.467   4.920   3.054
  946    H    ASN 119           H        ASN 119 -35.955   2.323   0.963
  947    HA   ASN 119           HA       ASN 119 -34.186   4.655   0.902
  948   1HB   ASN 119          1HB       ASN 119 -34.941   3.131   2.875
  949   2HB   ASN 119          2HB       ASN 119 -33.708   2.012   2.294
  950   1HD2  ASN 119          1HD2      ASN 119 -31.614   2.386   3.060
  951   2HD2  ASN 119          2HD2      ASN 119 -31.083   3.838   3.760
  952   1H    GLY 201          1H        GLY 201 -17.408  22.273 -13.511
  953   2H    GLY 201          2H        GLY 201 -19.016  22.592 -13.955
  954   3H    GLY 201          3H        GLY 201 -17.930  21.953 -15.095
  955   1HA   GLY 201          1HA       GLY 201 -19.238  20.141 -14.438
  956   2HA   GLY 201          2HA       GLY 201 -17.705  19.964 -13.585
  957    H    LYS 202           H        LYS 202 -17.802  19.799 -11.386
  958    HA   LYS 202           HA       LYS 202 -20.442  20.042 -10.078
  959   1HB   LYS 202          1HB       LYS 202 -18.190  18.394  -9.882
  960   2HB   LYS 202          2HB       LYS 202 -18.118  19.382  -8.423
  961   1HG   LYS 202          1HG       LYS 202 -20.667  18.817  -8.226
  962   2HG   LYS 202          2HG       LYS 202 -20.279  17.489  -9.319
  963   1HD   LYS 202          1HD       LYS 202 -19.164  16.339  -7.709
  964   2HD   LYS 202          2HD       LYS 202 -18.379  17.792  -7.091
  965   1HE   LYS 202          1HE       LYS 202 -19.858  16.995  -5.347
  966   2HE   LYS 202          2HE       LYS 202 -20.644  18.415  -6.063
  967   1HZ   LYS 202          1HZ       LYS 202 -22.174  16.526  -5.933
  968   2HZ   LYS 202          2HZ       LYS 202 -21.110  15.585  -6.863
  969   3HZ   LYS 202          3HZ       LYS 202 -21.862  16.944  -7.549
  970    H    ALA 203           H        ALA 203 -20.684  22.372 -10.025
  971    HA   ALA 203           HA       ALA 203 -20.398  24.526  -9.097
  972   1HB   ALA 203          1HB       ALA 203 -19.420  22.552  -7.032
  973   2HB   ALA 203          2HB       ALA 203 -20.913  23.490  -7.036
  974   3HB   ALA 203          3HB       ALA 203 -19.375  24.282  -6.693
  975    HA   PRO 204           HA       PRO 204 -15.853  24.279 -10.406
  976   1HB   PRO 204          1HB       PRO 204 -16.238  26.114 -12.488
  977   2HB   PRO 204          2HB       PRO 204 -16.167  24.354 -12.682
  978   1HG   PRO 204          1HG       PRO 204 -18.520  26.158 -12.567
  979   2HG   PRO 204          2HG       PRO 204 -18.280  24.671 -13.494
  980   1HD   PRO 204          1HD       PRO 204 -19.807  24.783 -11.259
  981   2HD   PRO 204          2HD       PRO 204 -18.912  23.326 -11.740
  982    H    ARG 205           H        ARG 205 -17.675  27.278 -11.109
  983    HA   ARG 205           HA       ARG 205 -17.396  29.466 -10.287
  984   1HB   ARG 205          1HB       ARG 205 -16.882  27.624  -7.955
  985   2HB   ARG 205          2HB       ARG 205 -16.759  29.370  -7.744
  986   1HG   ARG 205          1HG       ARG 205 -19.141  28.878  -9.215
  987   2HG   ARG 205          2HG       ARG 205 -19.127  27.743  -7.866
  988   1HD   ARG 205          1HD       ARG 205 -18.523  30.689  -7.485
  989   2HD   ARG 205          2HD       ARG 205 -20.167  30.034  -7.368
  990    HE   ARG 205           HE       ARG 205 -18.017  29.607  -5.441
  991   1HH1  ARG 205          1HH1      ARG 205 -20.884  28.255  -6.880
  992   2HH1  ARG 205          2HH1      ARG 205 -21.222  27.242  -5.519
  993   1HH2  ARG 205          1HH2      ARG 205 -18.477  28.283  -3.688
  994   2HH2  ARG 205          2HH2      ARG 205 -19.871  27.256  -3.725
  995    H    LYS 206           H        LYS 206 -14.828  28.217  -8.193
  996    HA   LYS 206           HA       LYS 206 -12.747  29.285 -10.025
  997   1HB   LYS 206          1HB       LYS 206 -13.383  30.281  -7.225
  998   2HB   LYS 206          2HB       LYS 206 -11.909  30.700  -8.097
  999   1HG   LYS 206          1HG       LYS 206 -13.461  31.492  -9.992
 1000   2HG   LYS 206          2HG       LYS 206 -14.762  31.400  -8.804
 1001   1HD   LYS 206          1HD       LYS 206 -12.239  32.859  -8.089
 1002   2HD   LYS 206          2HD       LYS 206 -13.421  33.654  -9.129
 1003   1HE   LYS 206          1HE       LYS 206 -14.661  34.154  -7.300
 1004   2HE   LYS 206          2HE       LYS 206 -14.835  32.422  -6.956
 1005   1HZ   LYS 206          1HZ       LYS 206 -12.439  34.052  -6.276
 1006   2HZ   LYS 206          2HZ       LYS 206 -12.710  32.427  -5.860
 1007   3HZ   LYS 206          3HZ       LYS 206 -13.664  33.652  -5.170
 1008    H    GLN 207           H        GLN 207 -13.034  28.311  -6.581
 1009    HA   GLN 207           HA       GLN 207 -10.835  26.331  -7.084
 1010   1HB   GLN 207          1HB       GLN 207 -11.581  27.987  -4.646
 1011   2HB   GLN 207          2HB       GLN 207 -10.294  26.781  -4.667
 1012   1HG   GLN 207          1HG       GLN 207  -9.634  28.251  -6.862
 1013   2HG   GLN 207          2HG       GLN 207 -10.360  29.497  -5.847
 1014   1HE2  GLN 207          1HE2      GLN 207  -8.119  30.405  -5.600
 1015   2HE2  GLN 207          2HE2      GLN 207  -7.047  29.687  -4.496
 1016    H    LEU 208           H        LEU 208 -10.910  24.587  -5.220
 1017    HA   LEU 208           HA       LEU 208 -13.643  23.924  -4.311
 1018   1HB   LEU 208          1HB       LEU 208 -13.177  23.177  -6.769
 1019   2HB   LEU 208          2HB       LEU 208 -12.130  21.959  -6.040
 1020    HG   LEU 208           HG       LEU 208 -14.233  21.504  -4.511
 1021   1HD1  LEU 208          1HD1      LEU 208 -15.951  22.883  -5.060
 1022   2HD1  LEU 208          2HD1      LEU 208 -16.166  21.819  -6.451
 1023   3HD1  LEU 208          3HD1      LEU 208 -15.230  23.305  -6.613
 1024   1HD2  LEU 208          1HD2      LEU 208 -13.260  19.872  -6.065
 1025   2HD2  LEU 208          2HD2      LEU 208 -14.073  20.655  -7.420
 1026   3HD2  LEU 208          3HD2      LEU 208 -15.020  19.838  -6.177
 1027    H    ALA 209           H        ALA 209 -11.818  24.440  -2.495
 1028    HA   ALA 209           HA       ALA 209 -10.958  21.762  -1.497
 1029   1HB   ALA 209          1HB       ALA 209  -9.214  23.358  -2.768
 1030   2HB   ALA 209          2HB       ALA 209  -8.728  22.407  -1.365
 1031   3HB   ALA 209          3HB       ALA 209  -9.129  24.114  -1.177
 1032    H    THR 210           H        THR 210 -13.014  22.396  -0.211
 1033    HA   THR 210           HA       THR 210 -12.305  24.248   2.040
 1034    HB   THR 210           HB       THR 210 -14.766  24.514   2.230
 1035    HG1  THR 210           HG1      THR 210 -14.904  22.906  -0.092
 1036   1HG2  THR 210          1HG2      THR 210 -13.339  25.857   0.579
 1037   2HG2  THR 210          2HG2      THR 210 -15.072  25.819   0.256
 1038   3HG2  THR 210          3HG2      THR 210 -13.978  24.797  -0.677
 1039    H    LYS 211           H        LYS 211 -14.378  21.380   1.424
 1040    HA   LYS 211           HA       LYS 211 -13.146  19.847   3.568
 1041   1HB   LYS 211          1HB       LYS 211 -15.175  19.948   5.045
 1042   2HB   LYS 211          2HB       LYS 211 -14.386  21.516   4.873
 1043   1HG   LYS 211          1HG       LYS 211 -16.115  22.403   3.658
 1044   2HG   LYS 211          2HG       LYS 211 -16.475  20.872   2.860
 1045   1HD   LYS 211          1HD       LYS 211 -18.292  21.512   4.407
 1046   2HD   LYS 211          2HD       LYS 211 -17.502  20.028   4.940
 1047   1HE   LYS 211          1HE       LYS 211 -16.804  21.000   6.875
 1048   2HE   LYS 211          2HE       LYS 211 -16.214  22.436   6.017
 1049   1HZ   LYS 211          1HZ       LYS 211 -18.067  23.123   7.315
 1050   2HZ   LYS 211          2HZ       LYS 211 -19.012  21.809   6.799
 1051   3HZ   LYS 211          3HZ       LYS 211 -18.611  23.048   5.708
 1052    H    ALA 212           H        ALA 212 -13.974  17.680   3.607
 1053    HA   ALA 212           HA       ALA 212 -16.371  16.877   2.199
 1054   1HB   ALA 212          1HB       ALA 212 -15.255  17.398   0.191
 1055   2HB   ALA 212          2HB       ALA 212 -14.883  15.685   0.381
 1056   3HB   ALA 212          3HB       ALA 212 -13.686  16.901   0.826
 1057    H    ALA 213           H        ALA 213 -16.857  15.231   3.611
 1058    HA   ALA 213           HA       ALA 213 -15.042  13.716   5.161
 1059   1HB   ALA 213          1HB       ALA 213 -17.435  13.838   5.598
 1060   2HB   ALA 213          2HB       ALA 213 -17.027  12.147   5.305
 1061   3HB   ALA 213          3HB       ALA 213 -17.799  13.101   4.037
 1062    H    ARG 214           H        ARG 214 -14.409  11.435   4.896
 1063    HA   ARG 214           HA       ARG 214 -14.107  10.654   2.014
 1064   1HB   ARG 214          1HB       ARG 214 -12.305  10.090   4.401
 1065   2HB   ARG 214          2HB       ARG 214 -11.948   9.707   2.717
 1066   1HG   ARG 214          1HG       ARG 214 -12.327  12.262   2.316
 1067   2HG   ARG 214          2HG       ARG 214 -12.069  12.401   4.054
 1068   1HD   ARG 214          1HD       ARG 214  -9.980  10.777   3.371
 1069   2HD   ARG 214          2HD       ARG 214 -10.123  11.773   1.911
 1070    HE   ARG 214           HE       ARG 214  -9.302  12.718   4.540
 1071   1HH1  ARG 214          1HH1      ARG 214 -10.965  13.572   1.603
 1072   2HH1  ARG 214          2HH1      ARG 214 -10.663  15.264   1.794
 1073   1HH2  ARG 214          1HH2      ARG 214  -8.922  14.919   4.765
 1074   2HH2  ARG 214          2HH2      ARG 214  -9.515  16.023   3.570
 1075   1HN   MLZ 215          1HN       MLZ 215 -12.936   8.056   2.955
 1076    HA   MLZ 215           HA       MLZ 215 -15.254   6.427   2.890
 1077   1HB   MLZ 215          1HB       MLZ 215 -12.385   6.207   3.200
 1078   2HB   MLZ 215          2HB       MLZ 215 -13.183   5.077   4.293
 1079   1HG   MLZ 215          1HG       MLZ 215 -14.585   4.949   1.829
 1080   2HG   MLZ 215          2HG       MLZ 215 -13.557   3.709   2.545
 1081   1HD   MLZ 215          1HD       MLZ 215 -12.350   6.015   1.025
 1082   2HD   MLZ 215          2HD       MLZ 215 -11.655   4.429   1.358
 1083   1HE   MLZ 215          1HE       MLZ 215 -13.550   5.248  -0.786
 1084   2HE   MLZ 215          2HE       MLZ 215 -13.841   3.662  -0.046
 1085    HZ   MLZ 215           HZ       MLZ 215 -11.705   2.943  -0.559
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -12.427   4.771  -2.789
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -13.089   3.160  -2.543
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -11.380   3.362  -2.908
 1089    H    SER 216           H        SER 216 -16.835   6.331   4.432
 1090    HA   SER 216           HA       SER 216 -17.864   6.197   6.553
 1091   1HB   SER 216          1HB       SER 216 -15.961   7.703   8.070
 1092   2HB   SER 216          2HB       SER 216 -16.003   8.386   6.445
 1093    HG   SER 216           HG       SER 216 -17.596   9.258   7.888
 1094    H    ALA 217           H        ALA 217 -15.466   4.371   5.799
 1095    HA   ALA 217           HA       ALA 217 -14.329   2.589   6.847
 1096   1HB   ALA 217          1HB       ALA 217 -12.675   3.599   8.022
 1097   2HB   ALA 217          2HB       ALA 217 -13.786   3.940   9.348
 1098   3HB   ALA 217          3HB       ALA 217 -13.628   5.082   8.013
 1099    HA   PRO 218           HA       PRO 218 -16.760   0.386   9.758
 1100   1HB   PRO 218          1HB       PRO 218 -14.713   0.409  11.911
 1101   2HB   PRO 218          2HB       PRO 218 -15.431  -0.971  11.062
 1102   1HG   PRO 218          1HG       PRO 218 -12.905  -0.162  10.627
 1103   2HG   PRO 218          2HG       PRO 218 -13.907  -0.882   9.359
 1104   1HD   PRO 218          1HD       PRO 218 -13.136   1.960   9.780
 1105   2HD   PRO 218          2HD       PRO 218 -13.419   1.073   8.267
 1106    H    ALA 219           H        ALA 219 -16.965   0.444  12.561
 1107    HA   ALA 219           HA       ALA 219 -17.063   3.187  13.555
 1108   1HB   ALA 219          1HB       ALA 219 -19.046   3.664  12.544
 1109   2HB   ALA 219          2HB       ALA 219 -19.777   2.503  13.652
 1110   3HB   ALA 219          3HB       ALA 219 -19.265   1.987  12.045
 1111    H    THR 220           H        THR 220 -16.797   2.965  15.740
 1112    HA   THR 220           HA       THR 220 -17.952   0.530  17.061
 1113    HB   THR 220           HB       THR 220 -15.884   0.629  18.490
 1114    HG1  THR 220           HG1      THR 220 -14.308   2.060  17.980
 1115   1HG2  THR 220          1HG2      THR 220 -14.453   0.447  16.051
 1116   2HG2  THR 220          2HG2      THR 220 -16.095  -0.100  15.710
 1117   3HG2  THR 220          3HG2      THR 220 -15.153  -0.876  16.983
 1118    H    GLY 221           H        GLY 221 -16.774   3.869  17.599
 1119   1HA   GLY 221          1HA       GLY 221 -18.714   5.225  18.725
 1120   2HA   GLY 221          2HA       GLY 221 -18.521   4.029  20.006
 1121   1H    MET   1          1H        MET   1   3.034  -9.803   5.053
 1122   2H    MET   1          2H        MET   1   4.486  -9.093   5.577
 1123   3H    MET   1          3H        MET   1   3.030  -8.226   5.683
 1124    HA   MET   1           HA       MET   1   3.729  -9.095   7.858
 1125   1HB   MET   1          1HB       MET   1   1.250  -9.355   6.399
 1126   2HB   MET   1          2HB       MET   1   1.362 -10.646   7.595
 1127   1HG   MET   1          1HG       MET   1   0.509  -9.006   8.964
 1128   2HG   MET   1          2HG       MET   1   2.216  -8.588   9.110
 1129   1HE   MET   1          1HE       MET   1   2.455  -5.664   9.059
 1130   2HE   MET   1          2HE       MET   1   1.385  -6.668  10.039
 1131   3HE   MET   1          3HE       MET   1   0.754  -5.230   9.235
 1132    H    PHE   2           H        PHE   2   2.931 -11.404   9.004
 1133    HA   PHE   2           HA       PHE   2   5.014 -13.242   8.466
 1134   1HB   PHE   2          1HB       PHE   2   3.466 -14.818   9.833
 1135   2HB   PHE   2          2HB       PHE   2   4.055 -13.350  10.598
 1136    HD1  PHE   2           HD1      PHE   2   1.417 -13.073   8.025
 1137    HD2  PHE   2           HD2      PHE   2   2.222 -13.449  12.231
 1138    HE1  PHE   2           HE1      PHE   2  -0.905 -12.390   8.531
 1139    HE2  PHE   2           HE2      PHE   2  -0.105 -12.760  12.731
 1140    HZ   PHE   2           HZ       PHE   2  -1.668 -12.231  10.883
 1141    H    ASN   3           H        ASN   3   4.909 -13.564   6.127
 1142    HA   ASN   3           HA       ASN   3   2.690 -15.314   5.178
 1143   1HB   ASN   3          1HB       ASN   3   3.698 -13.171   4.027
 1144   2HB   ASN   3          2HB       ASN   3   4.996 -14.262   3.539
 1145   1HD2  ASN   3          1HD2      ASN   3   2.783 -12.951   1.885
 1146   2HD2  ASN   3          2HD2      ASN   3   2.024 -14.244   1.089
 1147    H    ASP   4           H        ASP   4   3.155 -17.418   4.380
 1148    HA   ASP   4           HA       ASP   4   5.030 -19.019   5.662
 1149   1HB   ASP   4          1HB       ASP   4   3.103 -19.771   4.300
 1150   2HB   ASP   4          2HB       ASP   4   3.940 -19.259   2.834
 1151    H    ARG   5           H        ARG   5   5.610 -16.875   2.945
 1152    HA   ARG   5           HA       ARG   5   8.287 -18.105   2.487
 1153   1HB   ARG   5          1HB       ARG   5   6.697 -15.984   0.997
 1154   2HB   ARG   5          2HB       ARG   5   8.194 -16.723   0.430
 1155   1HG   ARG   5          1HG       ARG   5   6.593 -18.905   1.068
 1156   2HG   ARG   5          2HG       ARG   5   5.462 -17.762   0.344
 1157   1HD   ARG   5          1HD       ARG   5   7.687 -17.593  -1.323
 1158   2HD   ARG   5          2HD       ARG   5   7.583 -19.321  -0.938
 1159    HE   ARG   5           HE       ARG   5   4.947 -18.372  -1.439
 1160   1HH1  ARG   5          1HH1      ARG   5   7.951 -18.903  -3.115
 1161   2HH1  ARG   5          2HH1      ARG   5   7.179 -19.191  -4.635
 1162   1HH2  ARG   5          1HH2      ARG   5   3.968 -18.749  -3.423
 1163   2HH2  ARG   5          2HH2      ARG   5   4.941 -19.105  -4.811
 1164    H    VAL   6           H        VAL   6   6.761 -15.128   3.636
 1165    HA   VAL   6           HA       VAL   6   9.392 -14.214   4.652
 1166    HB   VAL   6           HB       VAL   6   7.662 -12.705   2.656
 1167   1HG1  VAL   6          1HG1      VAL   6   9.766 -11.126   2.844
 1168   2HG1  VAL   6          2HG1      VAL   6   9.924 -11.862   4.439
 1169   3HG1  VAL   6          3HG1      VAL   6   8.454 -10.986   4.014
 1170   1HG2  VAL   6          1HG2      VAL   6   9.898 -12.752   1.387
 1171   2HG2  VAL   6          2HG2      VAL   6   9.011 -14.274   1.482
 1172   3HG2  VAL   6          3HG2      VAL   6  10.394 -13.991   2.539
 1173    H    ILE   7           H        ILE   7   9.121 -13.092   6.576
 1174    HA   ILE   7           HA       ILE   7   6.303 -12.390   7.332
 1175    HB   ILE   7           HB       ILE   7   7.239 -14.272   8.578
 1176   1HG1  ILE   7          1HG1      ILE   7   7.617 -11.993  10.496
 1177   2HG1  ILE   7          2HG1      ILE   7   6.032 -12.244   9.766
 1178   1HG2  ILE   7          1HG2      ILE   7   9.554 -14.166   8.398
 1179   2HG2  ILE   7          2HG2      ILE   7   9.333 -13.601  10.054
 1180   3HG2  ILE   7          3HG2      ILE   7   9.606 -12.440   8.756
 1181   1HD1  ILE   7          1HD1      ILE   7   7.619 -14.189  11.457
 1182   2HD1  ILE   7          2HD1      ILE   7   6.216 -14.677  10.506
 1183   3HD1  ILE   7          3HD1      ILE   7   6.034 -13.500  11.807
 1184    H    VAL   8           H        VAL   8   6.088 -10.543   8.826
 1185    HA   VAL   8           HA       VAL   8   7.945  -8.352   8.130
 1186    HB   VAL   8           HB       VAL   8   5.480  -8.079   8.073
 1187   1HG1  VAL   8          1HG1      VAL   8   5.092  -7.981  10.958
 1188   2HG1  VAL   8          2HG1      VAL   8   5.582  -9.589  10.429
 1189   3HG1  VAL   8          3HG1      VAL   8   4.149  -8.832   9.736
 1190   1HG2  VAL   8          1HG2      VAL   8   7.160  -6.506  10.004
 1191   2HG2  VAL   8          2HG2      VAL   8   5.436  -6.146   9.882
 1192   3HG2  VAL   8          3HG2      VAL   8   6.467  -6.005   8.460
 1193    H    LYS   9           H        LYS   9   9.619  -7.830   9.440
 1194    HA   LYS   9           HA       LYS   9   9.359  -8.145  12.372
 1195   1HB   LYS   9          1HB       LYS   9  11.000  -9.722  10.476
 1196   2HB   LYS   9          2HB       LYS   9  11.800  -9.249  11.972
 1197   1HG   LYS   9          1HG       LYS   9   9.968 -10.256  13.271
 1198   2HG   LYS   9          2HG       LYS   9   9.124 -10.670  11.782
 1199   1HD   LYS   9          1HD       LYS   9  10.893 -12.183  11.129
 1200   2HD   LYS   9          2HD       LYS   9  11.901 -11.652  12.475
 1201   1HE   LYS   9          1HE       LYS   9   9.829 -12.415  13.933
 1202   2HE   LYS   9          2HE       LYS   9   9.475 -13.413  12.511
 1203   1HZ   LYS   9          1HZ       LYS   9  10.960 -14.662  13.851
 1204   2HZ   LYS   9          2HZ       LYS   9  11.983 -13.330  14.100
 1205   3HZ   LYS   9          3HZ       LYS   9  11.891 -14.055  12.567
 1206    H    LYS  10           H        LYS  10  11.501  -5.264  12.470
 1207    HA   LYS  10           HA       LYS  10  10.308  -5.428  14.453
 1208   1HB   LYS  10          1HB       LYS  10   8.608  -6.024  12.244
 1209   2HB   LYS  10          2HB       LYS  10   8.134  -7.071  13.582
 1210   1HG   LYS  10          1HG       LYS  10   6.956  -4.881  13.632
 1211   2HG   LYS  10          2HG       LYS  10   7.940  -5.139  15.068
 1212   1HD   LYS  10          1HD       LYS  10   9.644  -3.920  13.174
 1213   2HD   LYS  10          2HD       LYS  10   8.123  -3.033  13.094
 1214   1HE   LYS  10          1HE       LYS  10   9.155  -3.691  15.819
 1215   2HE   LYS  10          2HE       LYS  10   9.994  -2.417  14.913
 1216   1HZ   LYS  10          1HZ       LYS  10   7.920  -1.313  14.522
 1217   2HZ   LYS  10          2HZ       LYS  10   8.040  -1.603  16.192
 1218   3HZ   LYS  10          3HZ       LYS  10   7.040  -2.582  15.229
 1219    H    SER  11           H        SER  11  12.138  -6.872  15.147
 1220    HA   SER  11           HA       SER  11  11.075  -9.153  16.536
 1221   1HB   SER  11          1HB       SER  11  11.992  -9.544  13.843
 1222   2HB   SER  11          2HB       SER  11  13.057 -10.420  14.941
 1223    HG   SER  11           HG       SER  11  11.037 -11.192  15.930
 1224    HA   PRO  12           HA       PRO  12  15.808  -8.919  17.242
 1225   1HB   PRO  12          1HB       PRO  12  16.673  -6.559  15.685
 1226   2HB   PRO  12          2HB       PRO  12  17.375  -8.187  15.729
 1227   1HG   PRO  12          1HG       PRO  12  16.035  -7.281  13.591
 1228   2HG   PRO  12          2HG       PRO  12  15.967  -8.977  14.090
 1229   1HD   PRO  12          1HD       PRO  12  13.973  -6.795  14.520
 1230   2HD   PRO  12          2HD       PRO  12  13.720  -8.481  14.034
 1231    H    LEU  13           H        LEU  13  14.123  -5.866  16.658
 1232    HA   LEU  13           HA       LEU  13  14.044  -5.093  19.403
 1233   1HB   LEU  13          1HB       LEU  13  16.530  -4.605  17.952
 1234   2HB   LEU  13          2HB       LEU  13  15.831  -3.096  18.539
 1235    HG   LEU  13           HG       LEU  13  15.861  -5.403  20.428
 1236   1HD1  LEU  13          1HD1      LEU  13  18.254  -4.418  21.048
 1237   2HD1  LEU  13          2HD1      LEU  13  18.292  -4.051  19.324
 1238   3HD1  LEU  13          3HD1      LEU  13  18.087  -5.716  19.866
 1239   1HD2  LEU  13          1HD2      LEU  13  16.534  -2.465  20.758
 1240   2HD2  LEU  13          2HD2      LEU  13  16.203  -3.624  22.046
 1241   3HD2  LEU  13          3HD2      LEU  13  14.914  -3.135  20.946
 1242    H    GLY  14           H        GLY  14  14.198  -4.051  16.029
 1243   1HA   GLY  14          1HA       GLY  14  11.689  -2.761  16.028
 1244   2HA   GLY  14          2HA       GLY  14  12.888  -1.519  16.385
 1245    H    GLY  15           H        GLY  15  12.387  -0.525  14.311
 1246   1HA   GLY  15          1HA       GLY  15  12.910  -0.097  12.062
 1247   2HA   GLY  15          2HA       GLY  15  14.151  -1.343  12.197
 1248    H    TYR  16           H        TYR  16  10.791  -0.720  11.370
 1249    HA   TYR  16           HA       TYR  16   9.875  -3.374  10.959
 1250   1HB   TYR  16          1HB       TYR  16   9.212  -0.622  10.162
 1251   2HB   TYR  16          2HB       TYR  16   8.692  -1.825   8.985
 1252    HD1  TYR  16           HD1      TYR  16   7.752  -0.121  11.901
 1253    HD2  TYR  16           HD2      TYR  16   7.614  -4.020  10.105
 1254    HE1  TYR  16           HE1      TYR  16   5.846  -0.728  13.367
 1255    HE2  TYR  16           HE2      TYR  16   5.708  -4.628  11.571
 1256    HH   TYR  16           HH       TYR  16   3.838  -2.523  13.119
 1257    H    GLY  17           H        GLY  17  11.487  -4.666   9.952
 1258   1HA   GLY  17          1HA       GLY  17  12.052  -3.959   7.096
 1259   2HA   GLY  17          2HA       GLY  17  13.227  -4.792   8.116
 1260    H    VAL  18           H        VAL  18  12.558  -6.094   5.816
 1261    HA   VAL  18           HA       VAL  18  10.344  -7.977   6.433
 1262    HB   VAL  18           HB       VAL  18  12.213  -7.594   4.067
 1263   1HG1  VAL  18          1HG1      VAL  18   9.715  -9.300   4.239
 1264   2HG1  VAL  18          2HG1      VAL  18  11.349  -9.950   4.374
 1265   3HG1  VAL  18          3HG1      VAL  18  10.829  -9.177   2.877
 1266   1HG2  VAL  18          1HG2      VAL  18   9.331  -7.165   3.745
 1267   2HG2  VAL  18          2HG2      VAL  18  10.682  -6.148   3.243
 1268   3HG2  VAL  18          3HG2      VAL  18  10.077  -6.058   4.898
 1269    H    PHE  19           H        PHE  19  10.721 -10.139   6.978
 1270    HA   PHE  19           HA       PHE  19  13.573 -10.852   7.530
 1271   1HB   PHE  19          1HB       PHE  19  11.026 -11.114   8.893
 1272   2HB   PHE  19          2HB       PHE  19  11.788 -12.694   8.713
 1273    HD1  PHE  19           HD1      PHE  19  12.974  -9.188   9.376
 1274    HD2  PHE  19           HD2      PHE  19  13.078 -13.323  10.541
 1275    HE1  PHE  19           HE1      PHE  19  14.546  -8.629  11.208
 1276    HE2  PHE  19           HE2      PHE  19  14.652 -12.761  12.378
 1277    HZ   PHE  19           HZ       PHE  19  15.384 -10.413  12.710
 1278    H    ALA  20           H        ALA  20  14.484 -12.497   6.391
 1279    HA   ALA  20           HA       ALA  20  12.901 -13.834   4.301
 1280   1HB   ALA  20          1HB       ALA  20  15.652 -14.715   4.629
 1281   2HB   ALA  20          2HB       ALA  20  15.555 -12.956   4.724
 1282   3HB   ALA  20          3HB       ALA  20  14.939 -13.797   3.302
 1283    H    ARG  21           H        ARG  21  11.564 -15.247   5.607
 1284    HA   ARG  21           HA       ARG  21  12.635 -17.129   7.522
 1285   1HB   ARG  21          1HB       ARG  21  10.186 -16.210   6.819
 1286   2HB   ARG  21          2HB       ARG  21  10.184 -17.728   5.923
 1287   1HG   ARG  21          1HG       ARG  21  10.231 -19.016   7.837
 1288   2HG   ARG  21          2HG       ARG  21  11.121 -17.802   8.757
 1289   1HD   ARG  21          1HD       ARG  21   9.140 -17.201   9.694
 1290   2HD   ARG  21          2HD       ARG  21   8.646 -16.598   8.101
 1291    HE   ARG  21           HE       ARG  21   8.261 -19.327   7.896
 1292   1HH1  ARG  21          1HH1      ARG  21   7.245 -16.891  10.167
 1293   2HH1  ARG  21          2HH1      ARG  21   5.782 -17.720  10.570
 1294   1HH2  ARG  21          1HH2      ARG  21   6.355 -20.384   8.436
 1295   2HH2  ARG  21          2HH2      ARG  21   5.279 -19.683   9.598
 1296    H    LYS  22           H        LYS  22  12.721 -16.962   4.081
 1297    HA   LYS  22           HA       LYS  22  13.253 -19.895   3.829
 1298   1HB   LYS  22          1HB       LYS  22  11.984 -17.771   2.240
 1299   2HB   LYS  22          2HB       LYS  22  13.132 -18.719   1.300
 1300   1HG   LYS  22          1HG       LYS  22  11.970 -20.745   1.721
 1301   2HG   LYS  22          2HG       LYS  22  11.068 -20.042   3.063
 1302   1HD   LYS  22          1HD       LYS  22   9.894 -18.546   1.472
 1303   2HD   LYS  22          2HD       LYS  22  10.779 -19.286   0.138
 1304   1HE   LYS  22          1HE       LYS  22   9.544 -21.335   1.787
 1305   2HE   LYS  22          2HE       LYS  22   8.333 -20.176   1.207
 1306   1HZ   LYS  22          1HZ       LYS  22   9.259 -20.380  -1.019
 1307   2HZ   LYS  22          2HZ       LYS  22   8.772 -21.904  -0.450
 1308   3HZ   LYS  22          3HZ       LYS  22  10.419 -21.489  -0.464
 1309    H    SER  23           H        SER  23  16.437 -19.153   2.060
 1310    HA   SER  23           HA       SER  23  13.887 -20.724   1.961
 1311   1HB   SER  23          1HB       SER  23  16.328 -21.797   0.716
 1312   2HB   SER  23          2HB       SER  23  16.519 -21.444   2.433
 1313    HG   SER  23           HG       SER  23  15.712 -23.543   2.101
 1314    H    PHE  24           H        PHE  24  16.087 -18.724   0.145
 1315    HA   PHE  24           HA       PHE  24  14.480 -19.260  -2.332
 1316   1HB   PHE  24          1HB       PHE  24  15.743 -16.749  -1.177
 1317   2HB   PHE  24          2HB       PHE  24  15.041 -16.821  -2.793
 1318    HD1  PHE  24           HD1      PHE  24  12.605 -18.061  -2.783
 1319    HD2  PHE  24           HD2      PHE  24  14.365 -15.895   0.482
 1320    HE1  PHE  24           HE1      PHE  24  10.351 -17.675  -1.823
 1321    HE2  PHE  24           HE2      PHE  24  12.112 -15.509   1.442
 1322    HZ   PHE  24           HZ       PHE  24  10.105 -16.399   0.289
 1323    H    GLU  25           H        GLU  25  15.700 -18.810  -4.369
 1324    HA   GLU  25           HA       GLU  25  18.583 -19.566  -4.081
 1325   1HB   GLU  25          1HB       GLU  25  16.439 -20.626  -5.534
 1326   2HB   GLU  25          2HB       GLU  25  17.363 -19.728  -6.739
 1327   1HG   GLU  25          1HG       GLU  25  19.411 -20.929  -5.516
 1328   2HG   GLU  25          2HG       GLU  25  18.162 -22.107  -5.116
 1329    H    LYS  26           H        LYS  26  19.776 -18.727  -6.259
 1330    HA   LYS  26           HA       LYS  26  19.767 -15.824  -6.083
 1331   1HB   LYS  26          1HB       LYS  26  21.676 -17.541  -6.553
 1332   2HB   LYS  26          2HB       LYS  26  21.095 -17.502  -8.218
 1333   1HG   LYS  26          1HG       LYS  26  21.490 -15.131  -8.380
 1334   2HG   LYS  26          2HG       LYS  26  21.813 -15.012  -6.651
 1335   1HD   LYS  26          1HD       LYS  26  23.948 -15.731  -6.877
 1336   2HD   LYS  26          2HD       LYS  26  23.499 -16.971  -8.047
 1337   1HE   LYS  26          1HE       LYS  26  23.286 -14.151  -8.982
 1338   2HE   LYS  26          2HE       LYS  26  24.926 -14.789  -8.753
 1339   1HZ   LYS  26          1HZ       LYS  26  24.026 -15.315 -10.969
 1340   2HZ   LYS  26          2HZ       LYS  26  22.744 -16.160 -10.244
 1341   3HZ   LYS  26          3HZ       LYS  26  24.338 -16.718 -10.065
 1342    H    GLY  27           H        GLY  27  17.829 -14.955  -6.892
 1343   1HA   GLY  27          1HA       GLY  27  16.933 -13.938  -8.953
 1344   2HA   GLY  27          2HA       GLY  27  17.337 -15.432  -9.800
 1345    H    GLU  28           H        GLU  28  15.427 -14.480  -6.913
 1346    HA   GLU  28           HA       GLU  28  13.196 -16.170  -7.985
 1347   1HB   GLU  28          1HB       GLU  28  14.870 -16.518  -5.649
 1348   2HB   GLU  28          2HB       GLU  28  13.197 -16.274  -5.148
 1349   1HG   GLU  28          1HG       GLU  28  14.008 -18.235  -7.310
 1350   2HG   GLU  28          2HG       GLU  28  13.836 -18.688  -5.614
 1351    H    LEU  29           H        LEU  29  11.376 -14.929  -8.147
 1352    HA   LEU  29           HA       LEU  29  11.184 -12.254  -7.105
 1353   1HB   LEU  29          1HB       LEU  29  10.028 -13.492  -9.100
 1354   2HB   LEU  29          2HB       LEU  29   8.861 -14.023  -7.891
 1355    HG   LEU  29           HG       LEU  29   8.125 -11.945  -9.028
 1356   1HD1  LEU  29          1HD1      LEU  29   8.846 -11.024  -6.283
 1357   2HD1  LEU  29          2HD1      LEU  29   7.908 -12.511  -6.419
 1358   3HD1  LEU  29          3HD1      LEU  29   7.283 -11.009  -7.099
 1359   1HD2  LEU  29          1HD2      LEU  29   9.948 -10.122  -7.730
 1360   2HD2  LEU  29          2HD2      LEU  29   9.567 -10.271  -9.445
 1361   3HD2  LEU  29          3HD2      LEU  29  10.850 -11.252  -8.739
 1362    H    VAL  30           H        VAL  30  10.599 -11.623  -5.072
 1363    HA   VAL  30           HA       VAL  30   9.684 -13.647  -3.124
 1364    HB   VAL  30           HB       VAL  30  10.428 -10.701  -2.969
 1365   1HG1  VAL  30          1HG1      VAL  30   9.308 -12.594  -0.979
 1366   2HG1  VAL  30          2HG1      VAL  30   9.248 -10.832  -1.014
 1367   3HG1  VAL  30          3HG1      VAL  30  10.698 -11.653  -0.436
 1368   1HG2  VAL  30          1HG2      VAL  30  12.016 -12.887  -1.705
 1369   2HG2  VAL  30          2HG2      VAL  30  12.565 -11.382  -2.443
 1370   3HG2  VAL  30          3HG2      VAL  30  12.098 -12.745  -3.461
 1371    H    GLU  31           H        GLU  31   8.535 -10.513  -4.428
 1372    HA   GLU  31           HA       GLU  31   5.751 -11.362  -4.286
 1373   1HB   GLU  31          1HB       GLU  31   7.075 -10.132  -2.010
 1374   2HB   GLU  31          2HB       GLU  31   5.754  -9.111  -2.576
 1375   1HG   GLU  31          1HG       GLU  31   4.384 -11.329  -2.643
 1376   2HG   GLU  31          2HG       GLU  31   5.649 -11.953  -1.584
 1377    H    GLU  32           H        GLU  32   4.351  -9.783  -5.282
 1378    HA   GLU  32           HA       GLU  32   5.666  -7.314  -6.328
 1379   1HB   GLU  32          1HB       GLU  32   4.799  -7.910  -8.585
 1380   2HB   GLU  32          2HB       GLU  32   5.911  -9.139  -7.982
 1381   1HG   GLU  32          1HG       GLU  32   3.904 -10.417  -7.136
 1382   2HG   GLU  32          2HG       GLU  32   2.882  -9.252  -7.979
 1383    H    CYS  33           H        CYS  33   4.256  -5.576  -6.336
 1384    HA   CYS  33           HA       CYS  33   1.324  -6.106  -6.192
 1385   1HB   CYS  33          1HB       CYS  33   3.134  -5.218  -4.078
 1386   2HB   CYS  33          2HB       CYS  33   1.840  -4.051  -4.351
 1387    HG   CYS  33           HG       CYS  33   0.544  -6.716  -4.248
 1388    H    LEU  34           H        LEU  34   0.444  -3.537  -5.811
 1389    HA   LEU  34           HA       LEU  34   1.336  -2.206  -8.314
 1390   1HB   LEU  34          1HB       LEU  34  -1.099  -2.842  -7.312
 1391   2HB   LEU  34          2HB       LEU  34  -0.933  -1.216  -6.651
 1392    HG   LEU  34           HG       LEU  34  -0.299  -0.470  -9.010
 1393   1HD1  LEU  34          1HD1      LEU  34   0.086  -2.962  -9.662
 1394   2HD1  LEU  34          2HD1      LEU  34  -0.691  -1.901 -10.838
 1395   3HD1  LEU  34          3HD1      LEU  34  -1.664  -3.014  -9.876
 1396   1HD2  LEU  34          1HD2      LEU  34  -3.008  -1.477  -8.184
 1397   2HD2  LEU  34          2HD2      LEU  34  -2.789  -0.784  -9.791
 1398   3HD2  LEU  34          3HD2      LEU  34  -2.447   0.185  -8.358
 1399    H    CYS  35           H        CYS  35   1.325   0.272  -8.201
 1400    HA   CYS  35           HA       CYS  35   2.241   1.326  -5.562
 1401   1HB   CYS  35          1HB       CYS  35   3.696   1.430  -8.230
 1402   2HB   CYS  35          2HB       CYS  35   4.178   2.364  -6.814
 1403    HG   CYS  35           HG       CYS  35   3.957  -0.599  -6.164
 1404    H    ILE  36           H        ILE  36   2.795   3.876  -6.144
 1405    HA   ILE  36           HA       ILE  36   0.437   4.870  -7.715
 1406    HB   ILE  36           HB       ILE  36   1.691   5.874  -5.134
 1407   1HG1  ILE  36          1HG1      ILE  36  -1.033   4.679  -5.736
 1408   2HG1  ILE  36          2HG1      ILE  36   0.279   3.860  -4.888
 1409   1HG2  ILE  36          1HG2      ILE  36  -0.018   7.171  -7.124
 1410   2HG2  ILE  36          2HG2      ILE  36   0.859   7.880  -5.768
 1411   3HG2  ILE  36          3HG2      ILE  36  -0.735   7.170  -5.513
 1412   1HD1  ILE  36          1HD1      ILE  36   0.232   5.810  -3.230
 1413   2HD1  ILE  36          2HD1      ILE  36  -1.155   4.722  -3.180
 1414   3HD1  ILE  36          3HD1      ILE  36  -1.289   6.285  -3.985
 1415    H    VAL  37           H        VAL  37   0.783   6.855  -8.873
 1416    HA   VAL  37           HA       VAL  37   3.664   7.658  -9.142
 1417    HB   VAL  37           HB       VAL  37   1.477   7.521 -11.253
 1418   1HG1  VAL  37          1HG1      VAL  37   3.461   7.773 -12.798
 1419   2HG1  VAL  37          2HG1      VAL  37   4.442   8.132 -11.377
 1420   3HG1  VAL  37          3HG1      VAL  37   3.113   9.201 -11.825
 1421   1HG2  VAL  37          1HG2      VAL  37   3.561   5.589 -10.325
 1422   2HG2  VAL  37          2HG2      VAL  37   3.233   5.682 -12.055
 1423   3HG2  VAL  37          3HG2      VAL  37   1.935   5.278 -10.933
 1424    H    ARG  38           H        ARG  38   3.663   9.617  -8.021
 1425    HA   ARG  38           HA       ARG  38   1.775  11.712  -9.026
 1426   1HB   ARG  38          1HB       ARG  38   2.592  11.096  -6.169
 1427   2HB   ARG  38          2HB       ARG  38   1.624  12.487  -6.647
 1428   1HG   ARG  38          1HG       ARG  38   0.864   9.594  -7.148
 1429   2HG   ARG  38          2HG       ARG  38   0.223  10.590  -5.842
 1430   1HD   ARG  38          1HD       ARG  38  -0.242  12.231  -7.970
 1431   2HD   ARG  38          2HD       ARG  38  -0.422  10.641  -8.737
 1432    HE   ARG  38           HE       ARG  38  -2.187  11.761  -6.706
 1433   1HH1  ARG  38          1HH1      ARG  38  -0.814   8.830  -7.988
 1434   2HH1  ARG  38          2HH1      ARG  38  -2.116   7.843  -7.422
 1435   1HH2  ARG  38          1HH2      ARG  38  -3.865  10.459  -5.982
 1436   2HH2  ARG  38          2HH2      ARG  38  -3.831   8.755  -6.295
 1437    H    HIS  39           H        HIS  39   2.724  13.787  -9.198
 1438    HA   HIS  39           HA       HIS  39   5.559  13.962  -9.534
 1439   1HB   HIS  39          1HB       HIS  39   3.413  16.070  -9.085
 1440   2HB   HIS  39          2HB       HIS  39   5.026  16.402  -9.715
 1441    HD1  HIS  39           HD1      HIS  39   2.161  16.662 -11.256
 1442    HD2  HIS  39           HD2      HIS  39   5.049  13.702 -11.783
 1443    HE1  HIS  39           HE1      HIS  39   1.782  15.694 -13.565
 1444    H    ASN  40           H        ASN  40   6.785  15.828  -8.273
 1445    HA   ASN  40           HA       ASN  40   7.066  14.996  -5.532
 1446   1HB   ASN  40          1HB       ASN  40   8.018  17.460  -7.041
 1447   2HB   ASN  40          2HB       ASN  40   8.686  16.885  -5.514
 1448   1HD2  ASN  40          1HD2      ASN  40  10.672  15.922  -5.982
 1449   2HD2  ASN  40          2HD2      ASN  40  10.949  14.838  -7.259
 1450    H    ASP  41           H        ASP  41   7.329  18.120  -4.874
 1451    HA   ASP  41           HA       ASP  41   5.990  19.753  -3.835
 1452   1HB   ASP  41          1HB       ASP  41   4.702  19.040  -6.124
 1453   2HB   ASP  41          2HB       ASP  41   3.482  18.586  -4.934
 1454    H    ASP  42           H        ASP  42   3.181  19.234  -2.994
 1455    HA   ASP  42           HA       ASP  42   3.497  18.382  -0.375
 1456   1HB   ASP  42          1HB       ASP  42   1.191  18.099  -2.326
 1457   2HB   ASP  42          2HB       ASP  42   1.016  17.802  -0.596
 1458    H    TRP  43           H        TRP  43   3.318  16.354  -3.233
 1459    HA   TRP  43           HA       TRP  43   2.687  13.868  -1.908
 1460   1HB   TRP  43          1HB       TRP  43   2.363  14.182  -4.286
 1461   2HB   TRP  43          2HB       TRP  43   4.043  14.657  -4.507
 1462    HD1  TRP  43           HD1      TRP  43   5.610  12.822  -5.278
 1463    HE1  TRP  43           HE1      TRP  43   5.571  10.245  -5.299
 1464    HE3  TRP  43           HE3      TRP  43   1.257  11.983  -2.740
 1465    HZ2  TRP  43           HZ2      TRP  43   3.917   8.115  -4.369
 1466    HZ3  TRP  43           HZ3      TRP  43   0.475   9.668  -2.321
 1467    HH2  TRP  43           HH2      TRP  43   1.799   7.734  -3.129
 1468    H    GLY  44           H        GLY  44   5.806  15.117  -3.181
 1469   1HA   GLY  44          1HA       GLY  44   7.419  13.054  -2.086
 1470   2HA   GLY  44          2HA       GLY  44   8.007  14.659  -2.517
 1471    H    THR  45           H        THR  45   5.931  15.805  -0.566
 1472    HA   THR  45           HA       THR  45   7.705  15.671   1.797
 1473    HB   THR  45           HB       THR  45   5.219  17.289   1.123
 1474    HG1  THR  45           HG1      THR  45   6.819  18.924   0.791
 1475   1HG2  THR  45          1HG2      THR  45   6.604  16.916   3.595
 1476   2HG2  THR  45          2HG2      THR  45   5.277  18.024   3.249
 1477   3HG2  THR  45          3HG2      THR  45   6.946  18.549   3.023
 1478    H    ALA  46           H        ALA  46   4.137  15.474   1.332
 1479    HA   ALA  46           HA       ALA  46   3.417  14.480   3.844
 1480   1HB   ALA  46          1HB       ALA  46   1.867  15.129   2.037
 1481   2HB   ALA  46          2HB       ALA  46   1.486  13.501   2.599
 1482   3HB   ALA  46          3HB       ALA  46   2.369  13.730   1.089
 1483    H    LEU  47           H        LEU  47   4.172  12.474   0.968
 1484    HA   LEU  47           HA       LEU  47   4.513  10.094   2.711
 1485   1HB   LEU  47          1HB       LEU  47   4.367  10.672  -0.260
 1486   2HB   LEU  47          2HB       LEU  47   4.870   9.090   0.328
 1487    HG   LEU  47           HG       LEU  47   2.475   9.049  -0.115
 1488   1HD1  LEU  47          1HD1      LEU  47   3.530   7.996   2.027
 1489   2HD1  LEU  47          2HD1      LEU  47   1.773   8.103   1.912
 1490   3HD1  LEU  47          3HD1      LEU  47   2.666   9.276   2.879
 1491   1HD2  LEU  47          1HD2      LEU  47   2.081  11.188   1.973
 1492   2HD2  LEU  47          2HD2      LEU  47   0.935  10.602   0.767
 1493   3HD2  LEU  47          3HD2      LEU  47   2.300  11.604   0.273
 1494    H    GLU  48           H        GLU  48   6.465  12.340   2.837
 1495    HA   GLU  48           HA       GLU  48   8.818  11.724   1.307
 1496   1HB   GLU  48          1HB       GLU  48   9.846  13.343   2.836
 1497   2HB   GLU  48          2HB       GLU  48   8.227  13.894   2.419
 1498   1HG   GLU  48          1HG       GLU  48   7.498  12.605   4.575
 1499   2HG   GLU  48          2HG       GLU  48   9.203  12.712   5.010
 1500    H    ASP  49           H        ASP  49   8.417   9.228   1.943
 1501    HA   ASP  49           HA       ASP  49  10.634   8.516   3.693
 1502   1HB   ASP  49          1HB       ASP  49   8.586   9.185   5.147
 1503   2HB   ASP  49          2HB       ASP  49   7.879   7.664   4.602
 1504    H    TYR  50           H        TYR  50   7.690   7.433   2.001
 1505    HA   TYR  50           HA       TYR  50   9.161   4.914   1.291
 1506   1HB   TYR  50          1HB       TYR  50   6.210   5.339   1.894
 1507   2HB   TYR  50          2HB       TYR  50   6.965   3.795   1.503
 1508    HD1  TYR  50           HD1      TYR  50   9.443   3.789   2.995
 1509    HD2  TYR  50           HD2      TYR  50   5.593   5.301   4.151
 1510    HE1  TYR  50           HE1      TYR  50  10.036   3.473   5.382
 1511    HE2  TYR  50           HE2      TYR  50   6.185   4.985   6.538
 1512    HH   TYR  50           HH       TYR  50   8.240   3.135   7.690
 1513    H    LEU  51           H        LEU  51   9.400   7.001  -0.476
 1514    HA   LEU  51           HA       LEU  51   7.418   6.312  -2.620
 1515   1HB   LEU  51          1HB       LEU  51   8.793   8.924  -1.906
 1516   2HB   LEU  51          2HB       LEU  51   7.835   8.696  -3.367
 1517    HG   LEU  51           HG       LEU  51   6.855   8.435  -0.508
 1518   1HD1  LEU  51          1HD1      LEU  51   6.360  10.621  -0.727
 1519   2HD1  LEU  51          2HD1      LEU  51   5.333  10.234  -2.108
 1520   3HD1  LEU  51          3HD1      LEU  51   7.034  10.626  -2.357
 1521   1HD2  LEU  51          1HD2      LEU  51   5.601   6.817  -1.662
 1522   2HD2  LEU  51          2HD2      LEU  51   5.610   7.744  -3.162
 1523   3HD2  LEU  51          3HD2      LEU  51   4.598   8.259  -1.813
 1524    H    PHE  52           H        PHE  52   8.432   5.195  -4.223
 1525    HA   PHE  52           HA       PHE  52  11.350   5.498  -4.667
 1526   1HB   PHE  52          1HB       PHE  52   9.133   3.725  -5.745
 1527   2HB   PHE  52          2HB       PHE  52  10.776   3.664  -6.382
 1528    HD1  PHE  52           HD1      PHE  52  12.446   2.416  -5.283
 1529    HD2  PHE  52           HD2      PHE  52   8.813   3.398  -3.212
 1530    HE1  PHE  52           HE1      PHE  52  13.124   0.952  -3.400
 1531    HE2  PHE  52           HE2      PHE  52   9.491   1.934  -1.329
 1532    HZ   PHE  52           HZ       PHE  52  11.646   0.710  -1.423
 1533    H    SER  53           H        SER  53  11.665   7.483  -5.730
 1534    HA   SER  53           HA       SER  53   9.842   8.189  -7.963
 1535   1HB   SER  53          1HB       SER  53  10.187   9.964  -6.442
 1536   2HB   SER  53          2HB       SER  53  11.898   9.581  -6.248
 1537    HG   SER  53           HG       SER  53  10.631  11.106  -8.144
 1538    H    ARG  54           H        ARG  54  10.685   8.819 -10.028
 1539    HA   ARG  54           HA       ARG  54  13.408   7.729 -10.656
 1540   1HB   ARG  54          1HB       ARG  54  10.775   7.029 -11.586
 1541   2HB   ARG  54          2HB       ARG  54  11.682   7.713 -12.936
 1542   1HG   ARG  54          1HG       ARG  54  13.387   6.086 -12.766
 1543   2HG   ARG  54          2HG       ARG  54  12.912   5.633 -11.129
 1544   1HD   ARG  54          1HD       ARG  54  11.659   3.971 -12.034
 1545   2HD   ARG  54          2HD       ARG  54  10.626   5.215 -12.763
 1546    HE   ARG  54           HE       ARG  54  11.757   4.864 -14.816
 1547   1HH1  ARG  54          1HH1      ARG  54  13.569   3.537 -12.156
 1548   2HH1  ARG  54          2HH1      ARG  54  14.748   2.800 -13.185
 1549   1HH2  ARG  54          1HH2      ARG  54  13.300   3.897 -16.129
 1550   2HH2  ARG  54          2HH2      ARG  54  14.599   3.000 -15.416
 1551    H    LYS  55           H        LYS  55  13.760   8.658 -13.170
 1552    HA   LYS  55           HA       LYS  55  14.062  11.530 -12.782
 1553   1HB   LYS  55          1HB       LYS  55  15.148  11.333 -15.021
 1554   2HB   LYS  55          2HB       LYS  55  15.730  10.099 -13.903
 1555   1HG   LYS  55          1HG       LYS  55  13.420   9.036 -15.163
 1556   2HG   LYS  55          2HG       LYS  55  14.412   9.746 -16.437
 1557   1HD   LYS  55          1HD       LYS  55  16.216   8.336 -15.999
 1558   2HD   LYS  55          2HD       LYS  55  15.722   8.055 -14.330
 1559   1HE   LYS  55          1HE       LYS  55  15.254   6.025 -15.585
 1560   2HE   LYS  55          2HE       LYS  55  13.697   6.811 -15.261
 1561   1HZ   LYS  55          1HZ       LYS  55  14.022   8.002 -17.427
 1562   2HZ   LYS  55          2HZ       LYS  55  13.756   6.331 -17.575
 1563   3HZ   LYS  55          3HZ       LYS  55  15.325   6.959 -17.743
 1564    H    ASN  56           H        ASN  56  11.709  11.995 -12.595
 1565    HA   ASN  56           HA       ASN  56  10.028  11.687 -14.981
 1566   1HB   ASN  56          1HB       ASN  56   9.915  14.387 -14.835
 1567   2HB   ASN  56          2HB       ASN  56  11.574  14.145 -14.288
 1568   1HD2  ASN  56          1HD2      ASN  56  13.138  13.551 -15.864
 1569   2HD2  ASN  56          2HD2      ASN  56  12.768  13.287 -17.500
 1570    H    MET  57           H        MET  57  10.042  11.253 -11.932
 1571    HA   MET  57           HA       MET  57   8.167  13.108 -10.760
 1572   1HB   MET  57          1HB       MET  57   6.153  11.632 -10.978
 1573   2HB   MET  57          2HB       MET  57   6.732  12.207 -12.540
 1574   1HG   MET  57          1HG       MET  57   8.158   9.819 -11.974
 1575   2HG   MET  57          2HG       MET  57   6.466   9.493 -11.602
 1576   1HE   MET  57          1HE       MET  57   4.632  10.436 -12.941
 1577   2HE   MET  57          2HE       MET  57   4.537  10.368 -14.701
 1578   3HE   MET  57          3HE       MET  57   5.189  11.802 -13.908
 1579    H    SER  58           H        SER  58   6.738  11.526  -9.059
 1580    HA   SER  58           HA       SER  58   8.760   9.750  -7.742
 1581   1HB   SER  58          1HB       SER  58   6.840  11.510  -6.226
 1582   2HB   SER  58          2HB       SER  58   8.405  10.884  -5.708
 1583    HG   SER  58           HG       SER  58   8.223  13.194  -6.388
 1584    H    ALA  59           H        ALA  59   7.892   7.827  -6.920
 1585    HA   ALA  59           HA       ALA  59   4.908   7.531  -7.077
 1586   1HB   ALA  59          1HB       ALA  59   5.870   5.017  -7.474
 1587   2HB   ALA  59          2HB       ALA  59   7.208   5.960  -8.130
 1588   3HB   ALA  59          3HB       ALA  59   5.585   6.150  -8.794
 1589    H    MET  60           H        MET  60   4.196   5.545  -5.711
 1590    HA   MET  60           HA       MET  60   5.728   5.545  -3.130
 1591   1HB   MET  60          1HB       MET  60   3.504   6.681  -3.132
 1592   2HB   MET  60          2HB       MET  60   2.759   5.178  -3.673
 1593   1HG   MET  60          1HG       MET  60   3.069   4.129  -1.631
 1594   2HG   MET  60          2HG       MET  60   4.480   5.106  -1.226
 1595   1HE   MET  60          1HE       MET  60   2.976   4.660   1.010
 1596   2HE   MET  60          2HE       MET  60   2.336   6.156   1.689
 1597   3HE   MET  60          3HE       MET  60   4.000   6.093   1.107
 1598    H    ALA  61           H        ALA  61   5.844   3.512  -2.003
 1599    HA   ALA  61           HA       ALA  61   5.762   1.161  -3.787
 1600   1HB   ALA  61          1HB       ALA  61   6.938   1.985  -1.174
 1601   2HB   ALA  61          2HB       ALA  61   7.680   1.096  -2.505
 1602   3HB   ALA  61          3HB       ALA  61   6.616   0.262  -1.372
 1603    H    LEU  62           H        LEU  62   3.469   0.809  -3.994
 1604    HA   LEU  62           HA       LEU  62   1.421  -0.185  -3.381
 1605   1HB   LEU  62          1HB       LEU  62   0.868   0.593  -0.875
 1606   2HB   LEU  62          2HB       LEU  62   2.252   1.646  -1.162
 1607    HG   LEU  62           HG       LEU  62   1.097   2.283  -3.370
 1608   1HD1  LEU  62          1HD1      LEU  62  -0.942   0.555  -2.058
 1609   2HD1  LEU  62          2HD1      LEU  62  -0.638   0.830  -3.773
 1610   3HD1  LEU  62          3HD1      LEU  62  -1.532   2.025  -2.833
 1611   1HD2  LEU  62          1HD2      LEU  62   0.766   3.209  -0.689
 1612   2HD2  LEU  62          2HD2      LEU  62  -0.788   3.365  -1.510
 1613   3HD2  LEU  62          3HD2      LEU  62   0.648   4.139  -2.181
 1614    H    GLY  63           H        GLY  63   3.106  -2.174  -3.369
 1615   1HA   GLY  63          1HA       GLY  63   2.242  -3.934  -1.290
 1616   2HA   GLY  63          2HA       GLY  63   3.541  -4.279  -2.430
 1617    H    PHE  64           H        PHE  64   5.103  -5.058  -1.032
 1618    HA   PHE  64           HA       PHE  64   5.712  -3.610   1.470
 1619   1HB   PHE  64          1HB       PHE  64   6.700  -6.126   0.094
 1620   2HB   PHE  64          2HB       PHE  64   7.381  -5.553   1.616
 1621    HD1  PHE  64           HD1      PHE  64   6.348  -6.108   3.652
 1622    HD2  PHE  64           HD2      PHE  64   4.119  -6.417  -0.007
 1623    HE1  PHE  64           HE1      PHE  64   4.466  -7.151   4.886
 1624    HE2  PHE  64           HE2      PHE  64   2.237  -7.460   1.227
 1625    HZ   PHE  64           HZ       PHE  64   2.411  -7.827   3.674
 1626    H    GLY  65           H        GLY  65   6.233  -2.055  -0.877
 1627   1HA   GLY  65          1HA       GLY  65   9.117  -2.237  -1.424
 1628   2HA   GLY  65          2HA       GLY  65   8.007  -1.048  -2.104
 1629    H    ALA  66           H        ALA  66   7.003  -0.576   0.763
 1630    HA   ALA  66           HA       ALA  66   8.957   1.545   1.388
 1631   1HB   ALA  66          1HB       ALA  66   7.140   2.212   2.953
 1632   2HB   ALA  66          2HB       ALA  66   6.292   0.709   2.597
 1633   3HB   ALA  66          3HB       ALA  66   6.505   1.921   1.334
 1634    H    ILE  67           H        ILE  67   7.267  -0.931   3.334
 1635    HA   ILE  67           HA       ILE  67   8.656  -0.830   5.693
 1636    HB   ILE  67           HB       ILE  67   8.200  -3.346   5.783
 1637   1HG1  ILE  67          1HG1      ILE  67   6.732  -4.136   3.845
 1638   2HG1  ILE  67          2HG1      ILE  67   7.362  -2.773   2.928
 1639   1HG2  ILE  67          1HG2      ILE  67   6.005  -2.900   6.246
 1640   2HG2  ILE  67          2HG2      ILE  67   5.742  -2.069   4.712
 1641   3HG2  ILE  67          3HG2      ILE  67   6.545  -1.233   6.042
 1642   1HD1  ILE  67          1HD1      ILE  67   9.481  -4.274   4.261
 1643   2HD1  ILE  67          2HD1      ILE  67   9.331  -3.811   2.565
 1644   3HD1  ILE  67          3HD1      ILE  67   8.544  -5.274   3.151
 1645    H    PHE  68           H        PHE  68  10.036  -1.988   2.661
 1646    HA   PHE  68           HA       PHE  68  12.098  -3.665   3.503
 1647   1HB   PHE  68          1HB       PHE  68  11.772  -1.574   1.383
 1648   2HB   PHE  68          2HB       PHE  68  13.367  -2.288   1.599
 1649    HD1  PHE  68           HD1      PHE  68  12.820  -5.044   2.331
 1650    HD2  PHE  68           HD2      PHE  68  10.812  -2.538  -0.519
 1651    HE1  PHE  68           HE1      PHE  68  12.088  -7.056   1.080
 1652    HE2  PHE  68           HE2      PHE  68  10.079  -4.547  -1.770
 1653    HZ   PHE  68           HZ       PHE  68  10.717  -6.808  -0.971
 1654    H    ASN  69           H        ASN  69  14.302  -3.285   4.165
 1655    HA   ASN  69           HA       ASN  69  14.694  -0.649   5.543
 1656   1HB   ASN  69          1HB       ASN  69  15.269  -3.530   6.224
 1657   2HB   ASN  69          2HB       ASN  69  16.171  -2.244   7.019
 1658   1HD2  ASN  69          1HD2      ASN  69  14.876  -3.275   8.958
 1659   2HD2  ASN  69          2HD2      ASN  69  13.346  -2.608   9.273
 1660    H    HIS  70           H        HIS  70  17.287  -0.742   6.203
 1661    HA   HIS  70           HA       HIS  70  18.712  -0.848   3.575
 1662   1HB   HIS  70          1HB       HIS  70  18.552   1.288   4.900
 1663   2HB   HIS  70          2HB       HIS  70  19.423   0.495   6.212
 1664    HD1  HIS  70           HD1      HIS  70  21.576   1.871   6.046
 1665    HD2  HIS  70           HD2      HIS  70  20.519   0.068   2.438
 1666    HE1  HIS  70           HE1      HIS  70  23.554   2.163   4.492
 1667    H    SER  71           H        SER  71  20.894  -1.804   3.574
 1668    HA   SER  71           HA       SER  71  21.795  -3.298   5.938
 1669   1HB   SER  71          1HB       SER  71  20.041  -4.759   5.107
 1670   2HB   SER  71          2HB       SER  71  20.653  -4.630   3.458
 1671    HG   SER  71           HG       SER  71  21.631  -6.412   4.056
 1672    H    LYS  72           H        LYS  72  23.996  -3.749   5.781
 1673    HA   LYS  72           HA       LYS  72  25.638  -2.439   3.892
 1674   1HB   LYS  72          1HB       LYS  72  26.152  -4.966   5.501
 1675   2HB   LYS  72          2HB       LYS  72  27.388  -3.894   4.847
 1676   1HG   LYS  72          1HG       LYS  72  25.825  -2.116   6.211
 1677   2HG   LYS  72          2HG       LYS  72  25.667  -3.554   7.222
 1678   1HD   LYS  72          1HD       LYS  72  27.730  -3.203   8.047
 1679   2HD   LYS  72          2HD       LYS  72  28.398  -3.335   6.420
 1680   1HE   LYS  72          1HE       LYS  72  29.027  -1.153   7.230
 1681   2HE   LYS  72          2HE       LYS  72  27.692  -0.882   6.094
 1682   1HZ   LYS  72          1HZ       LYS  72  27.341   0.252   8.240
 1683   2HZ   LYS  72          2HZ       LYS  72  27.388  -1.250   9.032
 1684   3HZ   LYS  72          3HZ       LYS  72  26.143  -0.910   7.928
 1685    H    ASP  73           H        ASP  73  24.098  -5.606   3.754
 1686    HA   ASP  73           HA       ASP  73  25.238  -5.961   1.001
 1687   1HB   ASP  73          1HB       ASP  73  25.128  -7.715   3.409
 1688   2HB   ASP  73          2HB       ASP  73  24.809  -8.501   1.862
 1689    HA   PRO  74           HA       PRO  74  20.657  -5.702   0.636
 1690   1HB   PRO  74          1HB       PRO  74  21.498  -5.563  -2.225
 1691   2HB   PRO  74          2HB       PRO  74  20.368  -4.527  -1.335
 1692   1HG   PRO  74          1HG       PRO  74  22.831  -3.710  -2.010
 1693   2HG   PRO  74          2HG       PRO  74  22.036  -3.188  -0.519
 1694   1HD   PRO  74          1HD       PRO  74  24.253  -5.124  -0.902
 1695   2HD   PRO  74          2HD       PRO  74  23.902  -4.058   0.474
 1696    H    ASN  75           H        ASN  75  20.063  -7.844   1.038
 1697    HA   ASN  75           HA       ASN  75  21.034 -10.046  -0.642
 1698   1HB   ASN  75          1HB       ASN  75  18.923  -9.857   1.541
 1699   2HB   ASN  75          2HB       ASN  75  19.592 -11.358   0.902
 1700   1HD2  ASN  75          1HD2      ASN  75  20.181  -8.692   3.086
 1701   2HD2  ASN  75          2HD2      ASN  75  21.693  -9.223   3.645
 1702    H    ALA  76           H        ALA  76  18.289  -7.901  -0.576
 1703    HA   ALA  76           HA       ALA  76  17.137  -9.369  -2.909
 1704   1HB   ALA  76          1HB       ALA  76  14.910  -8.534  -1.566
 1705   2HB   ALA  76          2HB       ALA  76  15.998  -8.846  -0.214
 1706   3HB   ALA  76          3HB       ALA  76  15.620 -10.134  -1.358
 1707    H    ARG  77           H        ARG  77  16.332  -7.976  -4.485
 1708    HA   ARG  77           HA       ARG  77  16.366  -5.046  -3.835
 1709   1HB   ARG  77          1HB       ARG  77  18.016  -6.463  -5.519
 1710   2HB   ARG  77          2HB       ARG  77  16.760  -5.927  -6.634
 1711   1HG   ARG  77          1HG       ARG  77  17.074  -3.603  -5.890
 1712   2HG   ARG  77          2HG       ARG  77  18.303  -4.129  -4.739
 1713   1HD   ARG  77          1HD       ARG  77  19.894  -4.139  -6.358
 1714   2HD   ARG  77          2HD       ARG  77  18.874  -5.125  -7.422
 1715    HE   ARG  77           HE       ARG  77  17.681  -2.609  -7.451
 1716   1HH1  ARG  77          1HH1      ARG  77  20.854  -3.868  -8.132
 1717   2HH1  ARG  77          2HH1      ARG  77  21.208  -2.644  -9.302
 1718   1HH2  ARG  77          1HH2      ARG  77  18.164  -1.031  -8.972
 1719   2HH2  ARG  77          2HH2      ARG  77  19.698  -1.049  -9.775
 1720    H    HIS  78           H        HIS  78  15.148  -3.995  -6.004
 1721    HA   HIS  78           HA       HIS  78  12.546  -5.466  -6.262
 1722   1HB   HIS  78          1HB       HIS  78  11.482  -3.208  -6.013
 1723   2HB   HIS  78          2HB       HIS  78  12.400  -3.680  -4.583
 1724    HD1  HIS  78           HD1      HIS  78  14.892  -2.639  -4.424
 1725    HD2  HIS  78           HD2      HIS  78  12.343  -0.837  -7.187
 1726    HE1  HIS  78           HE1      HIS  78  15.930  -0.403  -5.004
 1727    H    GLU  79           H        GLU  79  11.200  -4.365  -8.097
 1728    HA   GLU  79           HA       GLU  79  12.881  -3.230 -10.268
 1729   1HB   GLU  79          1HB       GLU  79  13.023  -5.718 -10.391
 1730   2HB   GLU  79          2HB       GLU  79  11.264  -5.799 -10.477
 1731   1HG   GLU  79          1HG       GLU  79  11.405  -4.317 -12.534
 1732   2HG   GLU  79          2HG       GLU  79  13.152  -4.560 -12.496
 1733    H    LEU  80           H        LEU  80  11.657  -1.914 -11.641
 1734    HA   LEU  80           HA       LEU  80   8.766  -1.626 -10.950
 1735   1HB   LEU  80          1HB       LEU  80  11.005   0.102 -11.851
 1736   2HB   LEU  80          2HB       LEU  80   9.433   0.493 -12.547
 1737    HG   LEU  80           HG       LEU  80   9.766   0.037  -9.582
 1738   1HD1  LEU  80          1HD1      LEU  80  10.386   2.476 -11.223
 1739   2HD1  LEU  80          2HD1      LEU  80  11.251   1.823  -9.832
 1740   3HD1  LEU  80          3HD1      LEU  80   9.719   2.665  -9.602
 1741   1HD2  LEU  80          1HD2      LEU  80   7.577   0.476 -11.289
 1742   2HD2  LEU  80          2HD2      LEU  80   7.841   2.017 -10.473
 1743   3HD2  LEU  80          3HD2      LEU  80   7.572   0.552  -9.527
 1744    H    THR  81           H        THR  81   7.180  -1.845 -12.557
 1745    HA   THR  81           HA       THR  81   7.920  -3.373 -14.938
 1746    HB   THR  81           HB       THR  81   5.445  -3.367 -15.244
 1747    HG1  THR  81           HG1      THR  81   4.290  -1.898 -14.305
 1748   1HG2  THR  81          1HG2      THR  81   6.247  -3.762 -12.346
 1749   2HG2  THR  81          2HG2      THR  81   6.560  -4.927 -13.632
 1750   3HG2  THR  81          3HG2      THR  81   4.901  -4.537 -13.180
 1751    H    ALA  82           H        ALA  82   9.227  -1.753 -16.083
 1752    HA   ALA  82           HA       ALA  82   9.528  -0.005 -17.644
 1753   1HB   ALA  82          1HB       ALA  82   8.097  -1.397 -18.966
 1754   2HB   ALA  82          2HB       ALA  82   7.412   0.222 -19.103
 1755   3HB   ALA  82          3HB       ALA  82   6.676  -0.958 -18.019
 1756    H    GLY  83           H        GLY  83   9.828   1.804 -16.248
 1757   1HA   GLY  83          1HA       GLY  83   9.283   4.017 -15.629
 1758   2HA   GLY  83          2HA       GLY  83   7.684   3.777 -16.331
 1759    H    LEU  84           H        LEU  84   6.491   4.566 -14.573
 1760    HA   LEU  84           HA       LEU  84   6.865   3.176 -11.947
 1761   1HB   LEU  84          1HB       LEU  84   6.390   5.896 -12.857
 1762   2HB   LEU  84          2HB       LEU  84   5.125   5.399 -11.736
 1763    HG   LEU  84           HG       LEU  84   6.750   4.841 -10.036
 1764   1HD1  LEU  84          1HD1      LEU  84   9.236   5.617 -10.831
 1765   2HD1  LEU  84          2HD1      LEU  84   8.611   4.958 -12.343
 1766   3HD1  LEU  84          3HD1      LEU  84   8.671   3.947 -10.898
 1767   1HD2  LEU  84          1HD2      LEU  84   7.756   7.038  -9.647
 1768   2HD2  LEU  84          2HD2      LEU  84   6.134   7.242 -10.309
 1769   3HD2  LEU  84          3HD2      LEU  84   7.543   7.461 -11.346
 1770    H    LYS  85           H        LYS  85   5.526   1.346 -12.216
 1771    HA   LYS  85           HA       LYS  85   2.609   1.927 -12.416
 1772   1HB   LYS  85          1HB       LYS  85   4.325   0.182 -14.184
 1773   2HB   LYS  85          2HB       LYS  85   2.616  -0.193 -13.967
 1774   1HG   LYS  85          1HG       LYS  85   3.555   2.570 -14.753
 1775   2HG   LYS  85          2HG       LYS  85   3.223   1.323 -15.954
 1776   1HD   LYS  85          1HD       LYS  85   0.950   1.322 -15.526
 1777   2HD   LYS  85          2HD       LYS  85   1.159   1.826 -13.849
 1778   1HE   LYS  85          1HE       LYS  85   2.091   4.048 -15.007
 1779   2HE   LYS  85          2HE       LYS  85   1.045   3.498 -16.330
 1780   1HZ   LYS  85          1HZ       LYS  85   0.149   3.541 -13.502
 1781   2HZ   LYS  85          2HZ       LYS  85  -0.805   3.400 -14.900
 1782   3HZ   LYS  85          3HZ       LYS  85  -0.058   4.879 -14.528
 1783    H    ARG  86           H        ARG  86   4.966  -0.758 -12.093
 1784    HA   ARG  86           HA       ARG  86   3.469  -1.666  -9.665
 1785   1HB   ARG  86          1HB       ARG  86   3.642  -2.885 -12.268
 1786   2HB   ARG  86          2HB       ARG  86   4.487  -3.914 -11.112
 1787   1HG   ARG  86          1HG       ARG  86   2.243  -3.231  -9.693
 1788   2HG   ARG  86          2HG       ARG  86   1.607  -3.305 -11.335
 1789   1HD   ARG  86          1HD       ARG  86   3.425  -5.532 -10.634
 1790   2HD   ARG  86          2HD       ARG  86   1.900  -5.502  -9.728
 1791    HE   ARG  86           HE       ARG  86   1.297  -4.929 -12.444
 1792   1HH1  ARG  86          1HH1      ARG  86   2.526  -7.544 -10.502
 1793   2HH1  ARG  86          2HH1      ARG  86   1.907  -8.765 -11.558
 1794   1HH2  ARG  86          1HH2      ARG  86   0.503  -6.535 -13.800
 1795   2HH2  ARG  86          2HH2      ARG  86   0.771  -8.201 -13.411
 1796    H    MET  87           H        MET  87   4.902  -3.449  -8.535
 1797    HA   MET  87           HA       MET  87   7.811  -2.895  -8.915
 1798   1HB   MET  87          1HB       MET  87   6.018  -2.167  -6.658
 1799   2HB   MET  87          2HB       MET  87   7.571  -2.861  -6.197
 1800   1HG   MET  87          1HG       MET  87   8.604  -1.184  -7.871
 1801   2HG   MET  87          2HG       MET  87   7.042  -0.366  -7.816
 1802   1HE   MET  87          1HE       MET  87   8.950  -2.260  -4.717
 1803   2HE   MET  87          2HE       MET  87  10.136  -0.967  -4.534
 1804   3HE   MET  87          3HE       MET  87   9.961  -1.791  -6.084
 1805    H    ARG  88           H        ARG  88   8.930  -4.795  -8.831
 1806    HA   ARG  88           HA       ARG  88   7.631  -7.140  -7.483
 1807   1HB   ARG  88          1HB       ARG  88   9.641  -6.983  -9.759
 1808   2HB   ARG  88          2HB       ARG  88   8.917  -8.465  -9.135
 1809   1HG   ARG  88          1HG       ARG  88   6.785  -7.915  -9.963
 1810   2HG   ARG  88          2HG       ARG  88   7.186  -6.204 -10.119
 1811   1HD   ARG  88          1HD       ARG  88   8.888  -6.874 -11.889
 1812   2HD   ARG  88          2HD       ARG  88   8.175  -8.497 -11.842
 1813    HE   ARG  88           HE       ARG  88   6.196  -6.356 -12.109
 1814   1HH1  ARG  88          1HH1      ARG  88   8.357  -8.518 -13.775
 1815   2HH1  ARG  88          2HH1      ARG  88   7.453  -8.463 -15.248
 1816   1HH2  ARG  88          1HH2      ARG  88   5.041  -6.300 -14.032
 1817   2HH2  ARG  88          2HH2      ARG  88   5.590  -7.217 -15.395
 1818    H    ILE  89           H        ILE  89   8.863  -8.253  -5.952
 1819    HA   ILE  89           HA       ILE  89  11.477  -7.021  -5.218
 1820    HB   ILE  89           HB       ILE  89   9.528  -8.882  -3.811
 1821   1HG1  ILE  89          1HG1      ILE  89  10.216  -6.207  -2.746
 1822   2HG1  ILE  89          2HG1      ILE  89   9.315  -6.202  -4.260
 1823   1HG2  ILE  89          1HG2      ILE  89  11.968  -7.526  -2.635
 1824   2HG2  ILE  89          2HG2      ILE  89  11.975  -9.200  -3.189
 1825   3HG2  ILE  89          3HG2      ILE  89  10.923  -8.716  -1.859
 1826   1HD1  ILE  89          1HD1      ILE  89   7.943  -8.099  -2.868
 1827   2HD1  ILE  89          2HD1      ILE  89   7.502  -6.391  -2.890
 1828   3HD1  ILE  89          3HD1      ILE  89   8.456  -7.040  -1.555
 1829    H    PHE  90           H        PHE  90  13.157  -8.034  -6.253
 1830    HA   PHE  90           HA       PHE  90  13.006 -10.984  -6.704
 1831   1HB   PHE  90          1HB       PHE  90  14.309  -8.607  -7.966
 1832   2HB   PHE  90          2HB       PHE  90  15.159 -10.146  -8.098
 1833    HD1  PHE  90           HD1      PHE  90  13.918 -12.152  -9.055
 1834    HD2  PHE  90           HD2      PHE  90  12.407  -8.138  -9.297
 1835    HE1  PHE  90           HE1      PHE  90  12.385 -12.838 -10.881
 1836    HE2  PHE  90           HE2      PHE  90  10.875  -8.824 -11.121
 1837    HZ   PHE  90           HZ       PHE  90  10.864 -11.173 -11.914
 1838    H    THR  91           H        THR  91  15.234 -12.081  -6.513
 1839    HA   THR  91           HA       THR  91  16.653 -11.058  -4.075
 1840    HB   THR  91           HB       THR  91  17.088 -13.507  -3.683
 1841    HG1  THR  91           HG1      THR  91  16.592 -14.873  -5.183
 1842   1HG2  THR  91          1HG2      THR  91  15.199 -12.545  -2.548
 1843   2HG2  THR  91          2HG2      THR  91  14.662 -14.088  -3.211
 1844   3HG2  THR  91          3HG2      THR  91  14.223 -12.582  -4.017
 1845    H    ILE  92           H        ILE  92  18.683 -10.341  -4.602
 1846    HA   ILE  92           HA       ILE  92  19.953 -11.198  -7.118
 1847    HB   ILE  92           HB       ILE  92  21.538  -9.419  -6.563
 1848   1HG1  ILE  92          1HG1      ILE  92  20.174  -9.380  -3.851
 1849   2HG1  ILE  92          2HG1      ILE  92  21.820  -9.924  -4.172
 1850   1HG2  ILE  92          1HG2      ILE  92  19.429  -8.644  -7.458
 1851   2HG2  ILE  92          2HG2      ILE  92  19.912  -7.533  -6.176
 1852   3HG2  ILE  92          3HG2      ILE  92  18.666  -8.743  -5.871
 1853   1HD1  ILE  92          1HD1      ILE  92  22.569  -7.805  -4.034
 1854   2HD1  ILE  92          2HD1      ILE  92  20.935  -7.273  -3.637
 1855   3HD1  ILE  92          3HD1      ILE  92  21.465  -7.313  -5.318
 1856    H    LYS  93           H        LYS  93  19.694 -12.859  -4.398
 1857    HA   LYS  93           HA       LYS  93  22.068 -14.421  -4.801
 1858   1HB   LYS  93          1HB       LYS  93  23.177 -13.752  -2.622
 1859   2HB   LYS  93          2HB       LYS  93  23.182 -12.483  -3.845
 1860   1HG   LYS  93          1HG       LYS  93  21.687 -11.174  -2.687
 1861   2HG   LYS  93          2HG       LYS  93  20.846 -12.558  -1.995
 1862   1HD   LYS  93          1HD       LYS  93  21.963 -11.717  -0.126
 1863   2HD   LYS  93          2HD       LYS  93  23.112 -12.923  -0.705
 1864   1HE   LYS  93          1HE       LYS  93  24.194 -11.029  -2.063
 1865   2HE   LYS  93          2HE       LYS  93  23.217  -9.919  -1.084
 1866   1HZ   LYS  93          1HZ       LYS  93  25.443 -10.452  -0.116
 1867   2HZ   LYS  93          2HZ       LYS  93  24.933 -12.063   0.054
 1868   3HZ   LYS  93          3HZ       LYS  93  24.138 -10.827   0.904
 1869    HA   PRO  94           HA       PRO  94  19.478 -17.364  -2.786
 1870   1HB   PRO  94          1HB       PRO  94  22.077 -18.271  -1.605
 1871   2HB   PRO  94          2HB       PRO  94  20.798 -19.232  -2.372
 1872   1HG   PRO  94          1HG       PRO  94  23.001 -18.653  -3.697
 1873   2HG   PRO  94          2HG       PRO  94  21.431 -18.591  -4.504
 1874   1HD   PRO  94          1HD       PRO  94  23.178 -16.359  -3.586
 1875   2HD   PRO  94          2HD       PRO  94  22.105 -16.450  -4.999
 1876    H    ILE  95           H        ILE  95  18.375 -17.297  -0.835
 1877    HA   ILE  95           HA       ILE  95  19.685 -15.800   1.410
 1878    HB   ILE  95           HB       ILE  95  16.758 -16.093   0.633
 1879   1HG1  ILE  95          1HG1      ILE  95  18.666 -13.757   0.295
 1880   2HG1  ILE  95          2HG1      ILE  95  18.086 -14.794  -1.008
 1881   1HG2  ILE  95          1HG2      ILE  95  17.893 -15.388   3.083
 1882   2HG2  ILE  95          2HG2      ILE  95  16.245 -15.036   2.562
 1883   3HG2  ILE  95          3HG2      ILE  95  17.520 -13.840   2.324
 1884   1HD1  ILE  95          1HD1      ILE  95  15.894 -13.767   0.622
 1885   2HD1  ILE  95          2HD1      ILE  95  16.118 -13.689  -1.126
 1886   3HD1  ILE  95          3HD1      ILE  95  16.851 -12.467  -0.088
 1887    H    ALA  96           H        ALA  96  19.635 -16.734   3.450
 1888    HA   ALA  96           HA       ALA  96  18.808 -19.568   3.621
 1889   1HB   ALA  96          1HB       ALA  96  20.741 -17.765   4.791
 1890   2HB   ALA  96          2HB       ALA  96  20.690 -19.525   4.884
 1891   3HB   ALA  96          3HB       ALA  96  19.823 -18.553   6.073
 1892    H    ILE  97           H        ILE  97  17.353 -20.323   5.264
 1893    HA   ILE  97           HA       ILE  97  14.951 -18.964   5.655
 1894    HB   ILE  97           HB       ILE  97  16.401 -20.984   7.406
 1895   1HG1  ILE  97          1HG1      ILE  97  14.257 -22.092   5.899
 1896   2HG1  ILE  97          2HG1      ILE  97  15.219 -21.112   4.793
 1897   1HG2  ILE  97          1HG2      ILE  97  13.534 -21.223   7.446
 1898   2HG2  ILE  97          2HG2      ILE  97  13.983 -19.583   7.912
 1899   3HG2  ILE  97          3HG2      ILE  97  14.634 -20.961   8.799
 1900   1HD1  ILE  97          1HD1      ILE  97  16.842 -22.722   6.639
 1901   2HD1  ILE  97          2HD1      ILE  97  16.981 -22.538   4.891
 1902   3HD1  ILE  97          3HD1      ILE  97  15.831 -23.692   5.567
 1903    H    GLY  98           H        GLY  98  17.960 -18.493   7.385
 1904   1HA   GLY  98          1HA       GLY  98  16.525 -16.773   9.360
 1905   2HA   GLY  98          2HA       GLY  98  18.101 -17.507   9.646
 1906    H    GLU  99           H        GLU  99  16.669 -15.444   7.070
 1907    HA   GLU  99           HA       GLU  99  19.072 -13.671   7.382
 1908   1HB   GLU  99          1HB       GLU  99  17.776 -14.994   5.041
 1909   2HB   GLU  99          2HB       GLU  99  18.379 -13.357   4.784
 1910   1HG   GLU  99          1HG       GLU  99  19.992 -15.676   5.893
 1911   2HG   GLU  99          2HG       GLU  99  20.115 -15.034   4.255
 1912    H    GLU 100           H        GLU 100  18.561 -11.455   6.245
 1913    HA   GLU 100           HA       GLU 100  15.758 -10.650   6.957
 1914   1HB   GLU 100          1HB       GLU 100  17.862  -9.923   8.368
 1915   2HB   GLU 100          2HB       GLU 100  18.146  -8.807   7.032
 1916   1HG   GLU 100          1HG       GLU 100  15.443  -8.485   7.518
 1917   2HG   GLU 100          2HG       GLU 100  16.095  -8.723   9.139
 1918    H    ILE 101           H        ILE 101  14.644  -9.762   5.278
 1919    HA   ILE 101           HA       ILE 101  16.072  -9.243   2.737
 1920    HB   ILE 101           HB       ILE 101  13.115  -9.174   3.429
 1921   1HG1  ILE 101          1HG1      ILE 101  14.834 -11.469   2.438
 1922   2HG1  ILE 101          2HG1      ILE 101  14.077 -11.352   4.025
 1923   1HG2  ILE 101          1HG2      ILE 101  12.716  -8.973   1.191
 1924   2HG2  ILE 101          2HG2      ILE 101  14.083  -9.999   0.758
 1925   3HG2  ILE 101          3HG2      ILE 101  14.347  -8.303   1.161
 1926   1HD1  ILE 101          1HD1      ILE 101  12.133 -12.148   3.216
 1927   2HD1  ILE 101          2HD1      ILE 101  12.945 -12.436   1.677
 1928   3HD1  ILE 101          3HD1      ILE 101  12.105 -10.911   1.959
 1929    H    THR 102           H        THR 102  16.751  -7.211   2.314
 1930    HA   THR 102           HA       THR 102  15.026  -4.893   2.963
 1931    HB   THR 102           HB       THR 102  16.900  -3.803   4.154
 1932    HG1  THR 102           HG1      THR 102  18.678  -4.694   3.287
 1933   1HG2  THR 102          1HG2      THR 102  16.772  -5.059   6.178
 1934   2HG2  THR 102          2HG2      THR 102  16.539  -6.574   5.305
 1935   3HG2  THR 102          3HG2      THR 102  15.254  -5.366   5.334
 1936    H    ILE 103           H        ILE 103  15.030  -3.654   1.119
 1937    HA   ILE 103           HA       ILE 103  17.117  -4.099  -0.921
 1938    HB   ILE 103           HB       ILE 103  15.568  -2.754  -2.298
 1939   1HG1  ILE 103          1HG1      ILE 103  13.395  -2.447  -0.462
 1940   2HG1  ILE 103          2HG1      ILE 103  14.827  -1.711   0.257
 1941   1HG2  ILE 103          1HG2      ILE 103  14.801  -5.124  -0.769
 1942   2HG2  ILE 103          2HG2      ILE 103  14.579  -4.778  -2.484
 1943   3HG2  ILE 103          3HG2      ILE 103  13.402  -4.194  -1.307
 1944   1HD1  ILE 103          1HD1      ILE 103  15.198  -0.577  -2.010
 1945   2HD1  ILE 103          2HD1      ILE 103  13.827   0.005  -1.067
 1946   3HD1  ILE 103          3HD1      ILE 103  13.563  -1.094  -2.421
 1947    H    SER 104           H        SER 104  18.241  -2.265  -1.919
 1948    HA   SER 104           HA       SER 104  19.198  -0.343   0.084
 1949   1HB   SER 104          1HB       SER 104  20.961  -0.086  -1.435
 1950   2HB   SER 104          2HB       SER 104  20.403  -1.705  -1.851
 1951    HG   SER 104           HG       SER 104  20.074  -0.937  -3.758
 1952    H    TYR 105           H        TYR 105  19.731   1.831  -1.713
 1953    HA   TYR 105           HA       TYR 105  16.993   2.782  -2.457
 1954   1HB   TYR 105          1HB       TYR 105  19.083   4.295  -0.845
 1955   2HB   TYR 105          2HB       TYR 105  17.469   4.872  -1.255
 1956    HD1  TYR 105           HD1      TYR 105  15.651   2.767  -0.742
 1957    HD2  TYR 105           HD2      TYR 105  19.242   3.732   1.409
 1958    HE1  TYR 105           HE1      TYR 105  14.740   1.655   1.278
 1959    HE2  TYR 105           HE2      TYR 105  18.330   2.620   3.429
 1960    HH   TYR 105           HH       TYR 105  15.016   1.556   3.603
 1961    H    GLY 106           H        GLY 106  20.305   4.156  -2.358
 1962   1HA   GLY 106          1HA       GLY 106  21.061   4.028  -5.001
 1963   2HA   GLY 106          2HA       GLY 106  19.925   5.377  -4.984
 1964    H    ASP 107           H        ASP 107  21.932   6.617  -5.613
 1965    HA   ASP 107           HA       ASP 107  24.088   6.952  -3.701
 1966   1HB   ASP 107          1HB       ASP 107  23.345   7.733  -6.356
 1967   2HB   ASP 107          2HB       ASP 107  23.770   9.194  -5.464
 1968    H    ASP 108           H        ASP 108  20.978   8.520  -4.239
 1969    HA   ASP 108           HA       ASP 108  21.540  10.840  -2.570
 1970   1HB   ASP 108          1HB       ASP 108  19.045   9.534  -3.705
 1971   2HB   ASP 108          2HB       ASP 108  19.005  11.051  -2.806
 1972    H    TYR 109           H        TYR 109  19.023   8.349  -2.056
 1973    HA   TYR 109           HA       TYR 109  18.765   8.772   0.740
 1974   1HB   TYR 109          1HB       TYR 109  17.985   6.825  -1.328
 1975   2HB   TYR 109          2HB       TYR 109  18.116   6.112   0.279
 1976    HD1  TYR 109           HD1      TYR 109  17.114   9.571  -0.745
 1977    HD2  TYR 109           HD2      TYR 109  15.908   5.860   1.049
 1978    HE1  TYR 109           HE1      TYR 109  14.937  10.581  -0.121
 1979    HE2  TYR 109           HE2      TYR 109  13.731   6.869   1.673
 1980    HH   TYR 109           HH       TYR 109  12.338   9.105   0.495
 1981    H    TRP 110           H        TRP 110  20.744   8.764   1.882
 1982    HA   TRP 110           HA       TRP 110  22.654   7.839   2.922
 1983   1HB   TRP 110          1HB       TRP 110  20.655   5.638   2.506
 1984   2HB   TRP 110          2HB       TRP 110  22.248   5.209   3.128
 1985    HD1  TRP 110           HD1      TRP 110  19.667   8.005   3.890
 1986    HE1  TRP 110           HE1      TRP 110  19.507   8.261   6.451
 1987    HE3  TRP 110           HE3      TRP 110  23.047   4.464   5.342
 1988    HZ2  TRP 110           HZ2      TRP 110  20.662   7.115   8.804
 1989    HZ3  TRP 110           HZ3      TRP 110  23.498   4.067   7.746
 1990    HH2  TRP 110           HH2      TRP 110  22.310   5.386   9.478
 1991    H    LEU 111           H        LEU 111  24.182   5.656   2.535
 1992    HA   LEU 111           HA       LEU 111  25.521   6.133   0.044
 1993   1HB   LEU 111          1HB       LEU 111  26.407   5.202   2.255
 1994   2HB   LEU 111          2HB       LEU 111  25.661   3.667   1.809
 1995    HG   LEU 111           HG       LEU 111  26.973   3.754  -0.347
 1996   1HD1  LEU 111          1HD1      LEU 111  28.026   6.210   1.034
 1997   2HD1  LEU 111          2HD1      LEU 111  27.559   6.002  -0.653
 1998   3HD1  LEU 111          3HD1      LEU 111  29.067   5.304  -0.064
 1999   1HD2  LEU 111          1HD2      LEU 111  27.695   2.794   2.088
 2000   2HD2  LEU 111          2HD2      LEU 111  29.032   3.903   1.784
 2001   3HD2  LEU 111          3HD2      LEU 111  28.686   2.604   0.641
 2002    H    SER 112           H        SER 112  25.745   4.613  -1.758
 2003    HA   SER 112           HA       SER 112  23.229   3.082  -2.256
 2004   1HB   SER 112          1HB       SER 112  24.258   5.014  -3.712
 2005   2HB   SER 112          2HB       SER 112  25.361   3.761  -4.280
 2006    HG   SER 112           HG       SER 112  23.733   3.504  -5.632
 2007    H    ARG 113           H        ARG 113  26.770   2.801  -2.749
 2008    HA   ARG 113           HA       ARG 113  26.436  -0.167  -2.899
 2009   1HB   ARG 113          1HB       ARG 113  27.554   1.356  -4.703
 2010   2HB   ARG 113          2HB       ARG 113  28.907   1.435  -3.575
 2011   1HG   ARG 113          1HG       ARG 113  29.304  -0.890  -3.707
 2012   2HG   ARG 113          2HG       ARG 113  27.706  -1.213  -4.379
 2013   1HD   ARG 113          1HD       ARG 113  28.699   0.469  -6.283
 2014   2HD   ARG 113          2HD       ARG 113  30.185  -0.341  -5.754
 2015    HE   ARG 113           HE       ARG 113  27.945  -1.607  -7.138
 2016   1HH1  ARG 113          1HH1      ARG 113  30.559  -2.068  -4.886
 2017   2HH1  ARG 113          2HH1      ARG 113  30.677  -3.765  -5.200
 2018   1HH2  ARG 113          1HH2      ARG 113  28.116  -3.811  -7.528
 2019   2HH2  ARG 113          2HH2      ARG 113  29.305  -4.746  -6.684
 2020    HA   PRO 114           HA       PRO 114  28.344   0.757   1.245
 2021   1HB   PRO 114          1HB       PRO 114  26.888  -1.185   2.577
 2022   2HB   PRO 114          2HB       PRO 114  26.370   0.503   2.417
 2023   1HG   PRO 114          1HG       PRO 114  25.511  -1.903   0.893
 2024   2HG   PRO 114          2HG       PRO 114  24.565  -0.506   1.424
 2025   1HD   PRO 114          1HD       PRO 114  25.430  -0.848  -1.134
 2026   2HD   PRO 114          2HD       PRO 114  25.158   0.746  -0.401
 2027    H    ARG 115           H        ARG 115  29.901  -0.480  -0.479
 2028    HA   ARG 115           HA       ARG 115  30.180  -3.358   0.102
 2029   1HB   ARG 115          1HB       ARG 115  30.661  -1.727  -2.046
 2030   2HB   ARG 115          2HB       ARG 115  32.283  -1.869  -1.366
 2031   1HG   ARG 115          1HG       ARG 115  31.936  -3.672  -2.971
 2032   2HG   ARG 115          2HG       ARG 115  32.002  -4.356  -1.347
 2033   1HD   ARG 115          1HD       ARG 115  29.676  -4.747  -1.286
 2034   2HD   ARG 115          2HD       ARG 115  29.355  -3.575  -2.579
 2035    HE   ARG 115           HE       ARG 115  29.936  -5.245  -4.157
 2036   1HH1  ARG 115          1HH1      ARG 115  31.046  -6.101  -0.971
 2037   2HH1  ARG 115          2HH1      ARG 115  31.561  -7.680  -1.454
 2038   1HH2  ARG 115          1HH2      ARG 115  30.612  -7.299  -4.760
 2039   2HH2  ARG 115          2HH2      ARG 115  31.318  -8.355  -3.583
 2040    H    LEU 116           H        LEU 116  30.958  -0.709   1.884
 2041    HA   LEU 116           HA       LEU 116  32.586  -0.264   3.532
 2042   1HB   LEU 116          1HB       LEU 116  32.578  -3.285   3.233
 2043   2HB   LEU 116          2HB       LEU 116  33.512  -2.477   4.488
 2044    HG   LEU 116           HG       LEU 116  31.396  -3.123   5.454
 2045   1HD1  LEU 116          1HD1      LEU 116  30.626  -0.325   5.013
 2046   2HD1  LEU 116          2HD1      LEU 116  32.324  -0.523   5.447
 2047   3HD1  LEU 116          3HD1      LEU 116  31.063  -1.149   6.510
 2048   1HD2  LEU 116          1HD2      LEU 116  29.371  -2.999   4.403
 2049   2HD2  LEU 116          2HD2      LEU 116  30.376  -2.973   2.953
 2050   3HD2  LEU 116          3HD2      LEU 116  29.753  -1.465   3.623
 2051    H    THR 117           H        THR 117  35.061  -1.075   4.079
 2052    HA   THR 117           HA       THR 117  37.298  -0.944   3.340
 2053    HB   THR 117           HB       THR 117  36.032  -2.393   0.983
 2054    HG1  THR 117           HG1      THR 117  37.289  -3.469   3.276
 2055   1HG2  THR 117          1HG2      THR 117  38.197  -1.908   0.265
 2056   2HG2  THR 117          2HG2      THR 117  38.444  -3.451   1.083
 2057   3HG2  THR 117          3HG2      THR 117  38.855  -1.943   1.901
 2058    H    GLN 118           H        GLN 118  37.761   1.208   2.918
 2059    HA   GLN 118           HA       GLN 118  38.164   3.152   1.646
 2060   1HB   GLN 118          1HB       GLN 118  38.351   0.818  -0.096
 2061   2HB   GLN 118          2HB       GLN 118  37.845   2.248  -0.995
 2062   1HG   GLN 118          1HG       GLN 118  40.013   2.751   0.935
 2063   2HG   GLN 118          2HG       GLN 118  40.452   1.642  -0.364
 2064   1HE2  GLN 118          1HE2      GLN 118  40.860   2.555  -2.415
 2065   2HE2  GLN 118          2HE2      GLN 118  40.588   4.186  -2.802
 2066    H    ASN 119           H        ASN 119  36.002   1.686  -0.756
 2067    HA   ASN 119           HA       ASN 119  34.284   4.056  -0.706
 2068   1HB   ASN 119          1HB       ASN 119  35.023   2.520  -2.675
 2069   2HB   ASN 119          2HB       ASN 119  33.760   1.427  -2.107
 2070   1HD2  ASN 119          1HD2      ASN 119  31.682   1.849  -2.891
 2071   2HD2  ASN 119          2HD2      ASN 119  31.189   3.314  -3.592
 2072   1H    GLY 201          1H        GLY 201  17.773  22.018  13.592
 2073   2H    GLY 201          2H        GLY 201  19.384  22.299  14.052
 2074   3H    GLY 201          3H        GLY 201  18.275  21.683  15.180
 2075   1HA   GLY 201          1HA       GLY 201  19.547  19.843  14.532
 2076   2HA   GLY 201          2HA       GLY 201  18.018  19.703  13.665
 2077    H    LYS 202           H        LYS 202  18.131  19.539  11.466
 2078    HA   LYS 202           HA       LYS 202  20.788  19.726  10.182
 2079   1HB   LYS 202          1HB       LYS 202  18.502  18.128   9.963
 2080   2HB   LYS 202          2HB       LYS 202  18.464  19.120   8.505
 2081   1HG   LYS 202          1HG       LYS 202  21.002  18.499   8.330
 2082   2HG   LYS 202          2HG       LYS 202  20.575  17.178   9.417
 2083   1HD   LYS 202          1HD       LYS 202  19.448  16.056   7.795
 2084   2HD   LYS 202          2HD       LYS 202  18.702  17.528   7.172
 2085   1HE   LYS 202          1HE       LYS 202  20.179  16.700   5.440
 2086   2HE   LYS 202          2HE       LYS 202  20.989  18.101   6.166
 2087   1HZ   LYS 202          1HZ       LYS 202  22.478  16.179   6.045
 2088   2HZ   LYS 202          2HZ       LYS 202  21.385  15.260   6.965
 2089   3HZ   LYS 202          3HZ       LYS 202  22.161  16.602   7.659
 2090    H    ALA 203           H        ALA 203  21.082  22.050  10.136
 2091    HA   ALA 203           HA       ALA 203  20.852  24.211   9.210
 2092   1HB   ALA 203          1HB       ALA 203  19.849  22.263   7.132
 2093   2HB   ALA 203          2HB       ALA 203  21.363  23.168   7.151
 2094   3HB   ALA 203          3HB       ALA 203  19.846  23.994   6.796
 2095    HA   PRO 204           HA       PRO 204  16.291  24.063  10.478
 2096   1HB   PRO 204          1HB       PRO 204  16.699  25.885  12.567
 2097   2HB   PRO 204          2HB       PRO 204  16.586  24.127  12.756
 2098   1HG   PRO 204          1HG       PRO 204  18.980  25.878  12.666
 2099   2HG   PRO 204          2HG       PRO 204  18.699  24.395  13.588
 2100   1HD   PRO 204          1HD       PRO 204  20.248  24.478  11.367
 2101   2HD   PRO 204          2HD       PRO 204  19.316  23.040  11.837
 2102    H    ARG 205           H        ARG 205  18.173  27.019  11.203
 2103    HA   ARG 205           HA       ARG 205  17.950  29.214  10.383
 2104   1HB   ARG 205          1HB       ARG 205  17.416  27.388   8.043
 2105   2HB   ARG 205          2HB       ARG 205  17.334  29.137   7.834
 2106   1HG   ARG 205          1HG       ARG 205  19.691  28.590   9.326
 2107   2HG   ARG 205          2HG       ARG 205  19.664  27.458   7.974
 2108   1HD   ARG 205          1HD       ARG 205  19.129  30.418   7.593
 2109   2HD   ARG 205          2HD       ARG 205  20.759  29.726   7.490
 2110    HE   ARG 205           HE       ARG 205  18.617  29.350   5.542
 2111   1HH1  ARG 205          1HH1      ARG 205  21.441  27.932   7.004
 2112   2HH1  ARG 205          2HH1      ARG 205  21.768  26.914   5.645
 2113   1HH2  ARG 205          1HH2      ARG 205  19.064  28.019   3.791
 2114   2HH2  ARG 205          2HH2      ARG 205  20.434  26.961   3.839
 2115    H    LYS 206           H        LYS 206  15.374  28.027   8.264
 2116    HA   LYS 206           HA       LYS 206  13.300  29.137  10.079
 2117   1HB   LYS 206          1HB       LYS 206  13.984  30.124   7.287
 2118   2HB   LYS 206          2HB       LYS 206  12.512  30.574   8.147
 2119   1HG   LYS 206          1HG       LYS 206  14.064  31.328  10.057
 2120   2HG   LYS 206          2HG       LYS 206  15.373  31.209   8.881
 2121   1HD   LYS 206          1HD       LYS 206  12.890  32.725   8.146
 2122   2HD   LYS 206          2HD       LYS 206  14.079  33.492   9.198
 2123   1HE   LYS 206          1HE       LYS 206  15.347  33.967   7.381
 2124   2HE   LYS 206          2HE       LYS 206  15.485  32.233   7.035
 2125   1HZ   LYS 206          1HZ       LYS 206  13.132  33.916   6.338
 2126   2HZ   LYS 206          2HZ       LYS 206  13.371  32.287   5.920
 2127   3HZ   LYS 206          3HZ       LYS 206  14.358  33.491   5.241
 2128    H    GLN 207           H        GLN 207  13.596  28.163   6.636
 2129    HA   GLN 207           HA       GLN 207  11.349  26.231   7.116
 2130   1HB   GLN 207          1HB       GLN 207  12.154  27.875   4.687
 2131   2HB   GLN 207          2HB       GLN 207  10.841  26.698   4.694
 2132   1HG   GLN 207          1HG       GLN 207  10.194  28.179   6.887
 2133   2HG   GLN 207          2HG       GLN 207  10.956  29.410   5.880
 2134   1HE2  GLN 207          1HE2      GLN 207   8.739  30.368   5.615
 2135   2HE2  GLN 207          2HE2      GLN 207   7.661  29.676   4.501
 2136    H    LEU 208           H        LEU 208  11.403  24.490   5.248
 2137    HA   LEU 208           HA       LEU 208  14.128  23.768   4.363
 2138   1HB   LEU 208          1HB       LEU 208  13.623  23.027   6.815
 2139   2HB   LEU 208          2HB       LEU 208  12.557  21.834   6.074
 2140    HG   LEU 208           HG       LEU 208  14.663  21.336   4.563
 2141   1HD1  LEU 208          1HD1      LEU 208  16.406  22.674   5.130
 2142   2HD1  LEU 208          2HD1      LEU 208  16.585  21.604   6.520
 2143   3HD1  LEU 208          3HD1      LEU 208  15.681  23.109   6.678
 2144   1HD2  LEU 208          1HD2      LEU 208  13.640  19.722   6.105
 2145   2HD2  LEU 208          2HD2      LEU 208  14.458  20.485   7.469
 2146   3HD2  LEU 208          3HD2      LEU 208  15.398  19.649   6.232
 2147    H    ALA 209           H        ALA 209  12.332  24.328   2.531
 2148    HA   ALA 209           HA       ALA 209  11.422  21.672   1.520
 2149   1HB   ALA 209          1HB       ALA 209   9.702  23.303   2.780
 2150   2HB   ALA 209          2HB       ALA 209   9.208  22.366   1.370
 2151   3HB   ALA 209          3HB       ALA 209   9.648  24.064   1.189
 2152    H    THR 210           H        THR 210  13.502  22.262   0.254
 2153    HA   THR 210           HA       THR 210  12.855  24.133  -1.999
 2154    HB   THR 210           HB       THR 210  15.323  24.345  -2.166
 2155    HG1  THR 210           HG1      THR 210  15.404  22.729   0.153
 2156   1HG2  THR 210          1HG2      THR 210  13.910  25.716  -0.526
 2157   2HG2  THR 210          2HG2      THR 210  15.640  25.640  -0.187
 2158   3HG2  THR 210          3HG2      THR 210  14.516  24.640   0.733
 2159    H    LYS 211           H        LYS 211  14.858  21.218  -1.371
 2160    HA   LYS 211           HA       LYS 211  13.611  19.717  -3.528
 2161   1HB   LYS 211          1HB       LYS 211  15.655  19.776  -4.987
 2162   2HB   LYS 211          2HB       LYS 211  14.899  21.361  -4.819
 2163   1HG   LYS 211          1HG       LYS 211  16.637  22.207  -3.587
 2164   2HG   LYS 211          2HG       LYS 211  16.956  20.667  -2.789
 2165   1HD   LYS 211          1HD       LYS 211  18.800  21.269  -4.318
 2166   2HD   LYS 211          2HD       LYS 211  17.982  19.804  -4.861
 2167   1HE   LYS 211          1HE       LYS 211  17.324  20.795  -6.800
 2168   2HE   LYS 211          2HE       LYS 211  16.757  22.242  -5.946
 2169   1HZ   LYS 211          1HZ       LYS 211  18.638  22.890  -7.225
 2170   2HZ   LYS 211          2HZ       LYS 211  19.548  21.554  -6.703
 2171   3HZ   LYS 211          3HZ       LYS 211  19.165  22.800  -5.614
 2172    H    ALA 212           H        ALA 212  14.392  17.533  -3.564
 2173    HA   ALA 212           HA       ALA 212  16.758  16.674  -2.137
 2174   1HB   ALA 212          1HB       ALA 212  15.635  17.216  -0.137
 2175   2HB   ALA 212          2HB       ALA 212  15.227  15.512  -0.335
 2176   3HB   ALA 212          3HB       ALA 212  14.062  16.755  -0.788
 2177    H    ALA 213           H        ALA 213  17.219  15.020  -3.548
 2178    HA   ALA 213           HA       ALA 213  15.385  13.548  -5.117
 2179   1HB   ALA 213          1HB       ALA 213  17.784  13.618  -5.532
 2180   2HB   ALA 213          2HB       ALA 213  17.335  11.937  -5.246
 2181   3HB   ALA 213          3HB       ALA 213  18.117  12.870  -3.970
 2182    H    ARG 214           H        ARG 214  14.698  11.282  -4.863
 2183    HA   ARG 214           HA       ARG 214  14.354  10.502  -1.985
 2184   1HB   ARG 214          1HB       ARG 214  12.562   9.983  -4.389
 2185   2HB   ARG 214          2HB       ARG 214  12.182   9.604  -2.710
 2186   1HG   ARG 214          1HG       ARG 214  12.613  12.150  -2.299
 2187   2HG   ARG 214          2HG       ARG 214  12.374  12.298  -4.040
 2188   1HD   ARG 214          1HD       ARG 214  10.243  10.720  -3.378
 2189   2HD   ARG 214          2HD       ARG 214  10.395  11.710  -1.915
 2190    HE   ARG 214           HE       ARG 214   9.618  12.677  -4.549
 2191   1HH1  ARG 214          1HH1      ARG 214  11.274  13.488  -1.596
 2192   2HH1  ARG 214          2HH1      ARG 214  11.011  15.187  -1.786
 2193   1HH2  ARG 214          1HH2      ARG 214   9.290  14.887  -4.773
 2194   2HH2  ARG 214          2HH2      ARG 214   9.897  15.975  -3.570
 2195   1HN   MLZ 215          1HN       MLZ 215  13.137   7.934  -2.939
 2196    HA   MLZ 215           HA       MLZ 215  15.415   6.253  -2.859
 2197   1HB   MLZ 215          1HB       MLZ 215  12.544   6.098  -3.195
 2198   2HB   MLZ 215          2HB       MLZ 215  13.327   4.952  -4.283
 2199   1HG   MLZ 215          1HG       MLZ 215  14.704   4.788  -1.807
 2200   2HG   MLZ 215          2HG       MLZ 215  13.654   3.573  -2.534
 2201   1HD   MLZ 215          1HD       MLZ 215  12.485   5.902  -1.020
 2202   2HD   MLZ 215          2HD       MLZ 215  11.758   4.332  -1.362
 2203   1HE   MLZ 215          1HE       MLZ 215  13.652   5.105   0.800
 2204   2HE   MLZ 215          2HE       MLZ 215  13.915   3.515   0.059
 2205    HZ   MLZ 215           HZ       MLZ 215  11.758   2.843   0.553
 2206   1HCM  MLZ 215          1HCM      MLZ 215  12.500   4.652   2.789
 2207   2HCM  MLZ 215          2HCM      MLZ 215  13.131   3.023   2.545
 2208   3HCM  MLZ 215          3HCM      MLZ 215  11.419   3.263   2.896
 2209    H    SER 216           H        SER 216  17.007   6.126  -4.387
 2210    HA   SER 216           HA       SER 216  18.051   5.972  -6.499
 2211   1HB   SER 216          1HB       SER 216  16.195   7.522  -8.029
 2212   2HB   SER 216          2HB       SER 216  16.239   8.201  -6.402
 2213    HG   SER 216           HG       SER 216  17.863   9.040  -7.831
 2214    H    ALA 217           H        ALA 217  15.607   4.197  -5.770
 2215    HA   ALA 217           HA       ALA 217  14.440   2.443  -6.832
 2216   1HB   ALA 217          1HB       ALA 217  12.819   3.492  -8.019
 2217   2HB   ALA 217          2HB       ALA 217  13.950   3.811  -9.335
 2218   3HB   ALA 217          3HB       ALA 217  13.806   4.953  -7.999
 2219    HA   PRO 218           HA       PRO 218  16.847   0.192  -9.725
 2220   1HB   PRO 218          1HB       PRO 218  14.820   0.264 -11.896
 2221   2HB   PRO 218          2HB       PRO 218  15.500  -1.133 -11.043
 2222   1HG   PRO 218          1HG       PRO 218  12.989  -0.268 -10.630
 2223   2HG   PRO 218          2HG       PRO 218  13.963  -1.013  -9.355
 2224   1HD   PRO 218          1HD       PRO 218  13.259   1.846  -9.776
 2225   2HD   PRO 218          2HD       PRO 218  13.509   0.950  -8.263
 2226    H    ALA 219           H        ALA 219  17.079   0.250 -12.526
 2227    HA   ALA 219           HA       ALA 219  17.246   2.993 -13.513
 2228   1HB   ALA 219          1HB       ALA 219  19.230   3.423 -12.484
 2229   2HB   ALA 219          2HB       ALA 219  19.945   2.248 -13.588
 2230   3HB   ALA 219          3HB       ALA 219  19.407   1.741 -11.987
 2231    H    THR 220           H        THR 220  16.995   2.780 -15.701
 2232    HA   THR 220           HA       THR 220  18.107   0.322 -17.017
 2233    HB   THR 220           HB       THR 220  16.055   0.470 -18.464
 2234    HG1  THR 220           HG1      THR 220  14.507   1.935 -17.966
 2235   1HG2  THR 220          1HG2      THR 220  14.599   0.315 -16.038
 2236   2HG2  THR 220          2HG2      THR 220  16.224  -0.269 -15.683
 2237   3HG2  THR 220          3HG2      THR 220  15.278  -1.021 -16.967
 2238    H    GLY 221           H        GLY 221  17.008   3.687 -17.558
 2239   1HA   GLY 221          1HA       GLY 221  18.990   5.003 -18.665
 2240   2HA   GLY 221          2HA       GLY 221  18.779   3.813 -19.950
 2241   1HN   SAH 301          1HN       SAH 301 -11.711  -0.035  -8.433
 2242   2HN   SAH 301          2HN       SAH 301 -10.585   0.709  -9.466
 2243    HA   SAH 301           HA       SAH 301 -10.623   2.626  -7.736
 2244   1HB   SAH 301          1HB       SAH 301 -11.737   0.184  -6.310
 2245   2HB   SAH 301          2HB       SAH 301 -11.123   1.607  -5.468
 2246   1HG   SAH 301          1HG       SAH 301 -13.715   1.341  -6.145
 2247   2HG   SAH 301          2HG       SAH 301 -13.114   2.084  -7.625
 2248   1H5*  SAH 301          1H5*      SAH 301 -15.136   2.709  -5.584
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.820   3.945  -4.365
 2250    H4*  SAH 301           H4*      SAH 301 -14.672   5.576  -6.242
 2251    H3*  SAH 301           H3*      SAH 301 -16.939   4.353  -4.929
 2252   *HO3  SAH 301          *HO3      SAH 301 -16.152   6.520  -4.708
 2253    H2*  SAH 301           H2*      SAH 301 -18.316   3.897  -6.632
 2254   *HO2  SAH 301          *HO2      SAH 301 -19.257   5.628  -7.305
 2255    H1*  SAH 301           H1*      SAH 301 -16.830   4.774  -8.929
 2256    H8   SAH 301           H8       SAH 301 -15.597   1.551  -7.526
 2257   1HN6  SAH 301          1HN6      SAH 301 -19.625  -1.502  -9.964
 2258   2HN6  SAH 301          2HN6      SAH 301 -20.150  -1.313  -8.306
 2259    H2   SAH 301           H2       SAH 301 -21.126   3.094 -10.348
 2260   1HN   SAH 302          1HN       SAH 302  11.625  -0.145   8.417
 2261   2HN   SAH 302          2HN       SAH 302  10.509   0.618   9.444
 2262    HA   SAH 302           HA       SAH 302  10.607   2.539   7.719
 2263   1HB   SAH 302          1HB       SAH 302  11.677   0.074   6.298
 2264   2HB   SAH 302          2HB       SAH 302  11.102   1.511   5.453
 2265   1HG   SAH 302          1HG       SAH 302  13.682   1.186   6.151
 2266   2HG   SAH 302          2HG       SAH 302  13.088   1.942   7.629
 2267   1H5*  SAH 302          1H5*      SAH 302  15.138   2.523   5.606
 2268   2H5*  SAH 302          2H5*      SAH 302  14.861   3.767   4.387
 2269    H4*  SAH 302           H4*      SAH 302  14.733   5.399   6.266
 2270    H3*  SAH 302           H3*      SAH 302  16.983   4.127   4.971
 2271   *HO3  SAH 302          *HO3      SAH 302  16.246   6.312   4.748
 2272    H2*  SAH 302           H2*      SAH 302  18.334   3.638   6.685
 2273   *HO2  SAH 302          *HO2      SAH 302  19.307   5.346   7.370
 2274    H1*  SAH 302           H1*      SAH 302  16.847   4.544   8.970
 2275    H8   SAH 302           H8       SAH 302  15.555   1.351   7.551
 2276   1HN6  SAH 302          1HN6      SAH 302  19.494  -1.795  10.017
 2277   2HN6  SAH 302          2HN6      SAH 302  20.037  -1.615   8.364
 2278    H2   SAH 302           H2       SAH 302  21.093   2.766  10.424
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1  -2.814  -7.262  -5.469
    2   2H    MET   1          2H        MET   1  -2.816  -8.589  -4.408
    3   3H    MET   1          3H        MET   1  -4.154  -8.303  -5.414
    4    HA   MET   1           HA       MET   1  -2.487  -8.571  -7.344
    5   1HB   MET   1          1HB       MET   1  -1.105  -9.741  -4.915
    6   2HB   MET   1          2HB       MET   1  -0.602 -10.072  -6.565
    7   1HG   MET   1          1HG       MET   1  -0.866  -7.279  -5.499
    8   2HG   MET   1          2HG       MET   1   0.638  -8.183  -5.397
    9   1HE   MET   1          1HE       MET   1  -1.682  -6.105  -8.213
   10   2HE   MET   1          2HE       MET   1  -0.124  -5.280  -8.155
   11   3HE   MET   1          3HE       MET   1  -0.951  -5.709  -6.657
   12    H    PHE   2           H        PHE   2  -1.782 -11.278  -7.531
   13    HA   PHE   2           HA       PHE   2  -4.457 -12.535  -7.385
   14   1HB   PHE   2          1HB       PHE   2  -3.295 -14.296  -8.762
   15   2HB   PHE   2          2HB       PHE   2  -3.210 -12.686  -9.469
   16    HD1  PHE   2           HD1      PHE   2  -1.310 -15.196  -7.479
   17    HD2  PHE   2           HD2      PHE   2  -1.119 -11.606  -9.829
   18    HE1  PHE   2           HE1      PHE   2   1.166 -15.341  -7.499
   19    HE2  PHE   2           HE2      PHE   2   1.356 -11.750  -9.849
   20    HZ   PHE   2           HZ       PHE   2   2.498 -13.617  -8.683
   21    H    ASN   3           H        ASN   3  -4.980 -14.107  -5.929
   22    HA   ASN   3           HA       ASN   3  -2.855 -15.578  -4.480
   23   1HB   ASN   3          1HB       ASN   3  -3.993 -13.212  -3.498
   24   2HB   ASN   3          2HB       ASN   3  -4.866 -14.492  -2.654
   25   1HD2  ASN   3          1HD2      ASN   3  -3.016 -16.437  -2.179
   26   2HD2  ASN   3          2HD2      ASN   3  -1.689 -15.838  -1.308
   27    H    ASP   4           H        ASP   4  -3.586 -17.614  -3.842
   28    HA   ASP   4           HA       ASP   4  -5.761 -18.877  -5.021
   29   1HB   ASP   4          1HB       ASP   4  -3.750 -19.697  -3.561
   30   2HB   ASP   4          2HB       ASP   4  -4.872 -19.529  -2.211
   31    H    ARG   5           H        ARG   5  -5.732 -17.348  -1.779
   32    HA   ARG   5           HA       ARG   5  -8.531 -17.937  -1.264
   33   1HB   ARG   5          1HB       ARG   5  -6.446 -16.088  -0.061
   34   2HB   ARG   5          2HB       ARG   5  -8.061 -16.275   0.622
   35   1HG   ARG   5          1HG       ARG   5  -7.173 -18.895   0.211
   36   2HG   ARG   5          2HG       ARG   5  -5.757 -18.045   0.828
   37   1HD   ARG   5          1HD       ARG   5  -8.410 -17.609   2.176
   38   2HD   ARG   5          2HD       ARG   5  -7.483 -19.077   2.536
   39    HE   ARG   5           HE       ARG   5  -6.771 -16.394   3.363
   40   1HH1  ARG   5          1HH1      ARG   5  -5.465 -19.420   2.241
   41   2HH1  ARG   5          2HH1      ARG   5  -3.937 -19.172   3.012
   42   1HH2  ARG   5          1HH2      ARG   5  -4.780 -16.096   4.355
   43   2HH2  ARG   5          2HH2      ARG   5  -3.550 -17.305   4.200
   44    H    VAL   6           H        VAL   6  -6.754 -15.172  -2.597
   45    HA   VAL   6           HA       VAL   6  -9.305 -14.049  -3.595
   46    HB   VAL   6           HB       VAL   6  -7.409 -12.614  -1.694
   47   1HG1  VAL   6          1HG1      VAL   6  -9.513 -11.671  -3.560
   48   2HG1  VAL   6          2HG1      VAL   6  -8.115 -10.812  -2.913
   49   3HG1  VAL   6          3HG1      VAL   6  -9.572 -10.991  -1.934
   50   1HG2  VAL   6          1HG2      VAL   6 -10.228 -13.679  -1.433
   51   2HG2  VAL   6          2HG2      VAL   6  -9.578 -12.459  -0.337
   52   3HG2  VAL   6          3HG2      VAL   6  -8.828 -14.053  -0.427
   53    H    ILE   7           H        ILE   7  -8.961 -13.126  -5.580
   54    HA   ILE   7           HA       ILE   7  -6.118 -12.605  -6.374
   55    HB   ILE   7           HB       ILE   7  -7.140 -14.517  -7.490
   56   1HG1  ILE   7          1HG1      ILE   7  -7.242 -12.161  -9.397
   57   2HG1  ILE   7          2HG1      ILE   7  -5.740 -12.892  -8.835
   58   1HG2  ILE   7          1HG2      ILE   7  -9.428 -12.612  -7.755
   59   2HG2  ILE   7          2HG2      ILE   7  -9.440 -14.333  -7.357
   60   3HG2  ILE   7          3HG2      ILE   7  -9.199 -13.812  -9.027
   61   1HD1  ILE   7          1HD1      ILE   7  -5.929 -14.392 -10.503
   62   2HD1  ILE   7          2HD1      ILE   7  -7.539 -13.798 -10.918
   63   3HD1  ILE   7          3HD1      ILE   7  -7.348 -15.043  -9.681
   64    H    VAL   8           H        VAL   8  -5.771 -10.797  -7.832
   65    HA   VAL   8           HA       VAL   8  -7.610  -8.551  -7.302
   66    HB   VAL   8           HB       VAL   8  -5.114  -8.427  -7.090
   67   1HG1  VAL   8          1HG1      VAL   8  -5.016  -9.888  -9.365
   68   2HG1  VAL   8          2HG1      VAL   8  -3.682  -8.869  -8.830
   69   3HG1  VAL   8          3HG1      VAL   8  -4.812  -8.275 -10.045
   70   1HG2  VAL   8          1HG2      VAL   8  -6.679  -6.666  -8.942
   71   2HG2  VAL   8          2HG2      VAL   8  -4.943  -6.387  -8.780
   72   3HG2  VAL   8          3HG2      VAL   8  -5.986  -6.296  -7.361
   73    H    LYS   9           H        LYS   9  -9.191  -8.016  -8.729
   74    HA   LYS   9           HA       LYS   9  -8.693  -8.274 -11.625
   75   1HB   LYS   9          1HB       LYS   9 -10.718  -9.781 -10.004
   76   2HB   LYS   9          2HB       LYS   9 -11.006  -9.464 -11.714
   77   1HG   LYS   9          1HG       LYS   9  -8.757 -10.484 -12.200
   78   2HG   LYS   9          2HG       LYS   9  -8.647 -10.937 -10.502
   79   1HD   LYS   9          1HD       LYS   9 -10.352 -12.512 -10.678
   80   2HD   LYS   9          2HD       LYS   9 -11.085 -11.713 -12.069
   81   1HE   LYS   9          1HE       LYS   9  -9.676 -12.757 -13.567
   82   2HE   LYS   9          2HE       LYS   9  -8.311 -12.754 -12.437
   83   1HZ   LYS   9          1HZ       LYS   9  -9.235 -14.989 -12.703
   84   2HZ   LYS   9          2HZ       LYS   9 -10.759 -14.433 -12.202
   85   3HZ   LYS   9          3HZ       LYS   9  -9.454 -14.429 -11.115
   86    H    LYS  10           H        LYS  10 -10.752  -5.337 -11.762
   87    HA   LYS  10           HA       LYS  10  -9.185  -5.292 -13.471
   88   1HB   LYS  10          1HB       LYS  10  -7.924  -6.059 -11.078
   89   2HB   LYS  10          2HB       LYS  10  -7.280  -7.145 -12.309
   90   1HG   LYS  10          1HG       LYS  10  -7.357  -4.116 -12.473
   91   2HG   LYS  10          2HG       LYS  10  -5.923  -5.102 -12.189
   92   1HD   LYS  10          1HD       LYS  10  -7.664  -5.315 -14.663
   93   2HD   LYS  10          2HD       LYS  10  -6.176  -4.375 -14.581
   94   1HE   LYS  10          1HE       LYS  10  -5.806  -7.094 -13.567
   95   2HE   LYS  10          2HE       LYS  10  -6.341  -7.071 -15.258
   96   1HZ   LYS  10          1HZ       LYS  10  -4.636  -5.452 -15.758
   97   2HZ   LYS  10          2HZ       LYS  10  -3.913  -6.814 -15.047
   98   3HZ   LYS  10          3HZ       LYS  10  -4.147  -5.402 -14.133
   99    H    SER  11           H        SER  11 -11.004  -6.716 -14.492
  100    HA   SER  11           HA       SER  11  -9.704  -8.847 -15.905
  101   1HB   SER  11          1HB       SER  11 -11.471  -9.415 -13.608
  102   2HB   SER  11          2HB       SER  11 -11.650 -10.453 -15.023
  103    HG   SER  11           HG       SER  11  -9.410 -10.863 -14.913
  104    HA   PRO  12           HA       PRO  12 -14.077  -8.508 -17.654
  105   1HB   PRO  12          1HB       PRO  12 -15.938  -7.078 -16.229
  106   2HB   PRO  12          2HB       PRO  12 -15.644  -8.808 -15.958
  107   1HG   PRO  12          1HG       PRO  12 -14.562  -6.452 -14.461
  108   2HG   PRO  12          2HG       PRO  12 -15.234  -7.955 -13.832
  109   1HD   PRO  12          1HD       PRO  12 -12.631  -7.506 -13.945
  110   2HD   PRO  12          2HD       PRO  12 -13.322  -9.121 -14.202
  111    H    LEU  13           H        LEU  13 -12.033  -6.689 -18.151
  112    HA   LEU  13           HA       LEU  13 -11.555  -4.522 -18.970
  113   1HB   LEU  13          1HB       LEU  13 -13.866  -5.696 -20.081
  114   2HB   LEU  13          2HB       LEU  13 -14.293  -4.007 -19.804
  115    HG   LEU  13           HG       LEU  13 -11.798  -3.709 -20.837
  116   1HD1  LEU  13          1HD1      LEU  13 -11.123  -5.433 -22.142
  117   2HD1  LEU  13          2HD1      LEU  13 -12.744  -5.679 -22.791
  118   3HD1  LEU  13          3HD1      LEU  13 -12.292  -6.405 -21.248
  119   1HD2  LEU  13          1HD2      LEU  13 -12.882  -2.893 -22.769
  120   2HD2  LEU  13          2HD2      LEU  13 -14.119  -2.768 -21.519
  121   3HD2  LEU  13          3HD2      LEU  13 -14.160  -4.104 -22.670
  122    H    GLY  14           H        GLY  14 -12.681  -4.713 -16.135
  123   1HA   GLY  14          1HA       GLY  14 -14.133  -2.129 -15.945
  124   2HA   GLY  14          2HA       GLY  14 -13.967  -3.308 -14.644
  125    H    GLY  15           H        GLY  15 -12.837  -2.303 -13.041
  126   1HA   GLY  15          1HA       GLY  15 -10.341  -0.853 -13.828
  127   2HA   GLY  15          2HA       GLY  15 -11.368  -0.313 -12.500
  128    H    TYR  16           H        TYR  16 -11.013  -1.191 -10.483
  129    HA   TYR  16           HA       TYR  16  -9.312  -3.642 -10.292
  130   1HB   TYR  16          1HB       TYR  16  -8.676  -0.864  -9.670
  131   2HB   TYR  16          2HB       TYR  16  -8.502  -1.890  -8.246
  132    HD1  TYR  16           HD1      TYR  16  -7.397  -1.365 -11.744
  133    HD2  TYR  16           HD2      TYR  16  -6.781  -3.566  -8.108
  134    HE1  TYR  16           HE1      TYR  16  -5.252  -2.236 -12.635
  135    HE2  TYR  16           HE2      TYR  16  -4.637  -4.437  -8.997
  136    HH   TYR  16           HH       TYR  16  -3.814  -4.577 -11.993
  137    H    GLY  17           H        GLY  17 -10.694  -5.016  -9.217
  138   1HA   GLY  17          1HA       GLY  17 -11.876  -4.029  -6.658
  139   2HA   GLY  17          2HA       GLY  17 -12.861  -4.973  -7.777
  140    H    VAL  18           H        VAL  18 -12.625  -6.128  -5.339
  141    HA   VAL  18           HA       VAL  18 -10.277  -7.966  -5.438
  142    HB   VAL  18           HB       VAL  18 -12.464  -7.403  -3.402
  143   1HG1  VAL  18          1HG1      VAL  18 -11.161  -8.821  -1.873
  144   2HG1  VAL  18          2HG1      VAL  18 -10.005  -9.166  -3.160
  145   3HG1  VAL  18          3HG1      VAL  18 -11.664  -9.753  -3.283
  146   1HG2  VAL  18          1HG2      VAL  18  -9.622  -6.522  -3.792
  147   2HG2  VAL  18          2HG2      VAL  18 -10.269  -6.650  -2.157
  148   3HG2  VAL  18          3HG2      VAL  18 -11.030  -5.569  -3.324
  149    H    PHE  19           H        PHE  19 -10.593  -9.855  -6.568
  150    HA   PHE  19           HA       PHE  19 -13.338 -10.850  -7.034
  151   1HB   PHE  19          1HB       PHE  19 -10.678 -11.041  -8.214
  152   2HB   PHE  19          2HB       PHE  19 -11.429 -12.631  -8.076
  153    HD1  PHE  19           HD1      PHE  19 -12.886  -9.230  -8.676
  154    HD2  PHE  19           HD2      PHE  19 -12.283 -13.205 -10.183
  155    HE1  PHE  19           HE1      PHE  19 -14.325  -8.708 -10.627
  156    HE2  PHE  19           HE2      PHE  19 -13.723 -12.685 -12.133
  157    HZ   PHE  19           HZ       PHE  19 -14.740 -10.435 -12.358
  158    H    ALA  20           H        ALA  20 -14.239 -12.405  -5.763
  159    HA   ALA  20           HA       ALA  20 -12.596 -13.680  -3.667
  160   1HB   ALA  20          1HB       ALA  20 -15.327 -14.531  -3.686
  161   2HB   ALA  20          2HB       ALA  20 -15.303 -12.813  -4.084
  162   3HB   ALA  20          3HB       ALA  20 -14.563 -13.383  -2.589
  163    H    ARG  21           H        ARG  21 -11.378 -15.181  -5.035
  164    HA   ARG  21           HA       ARG  21 -12.528 -17.103  -6.797
  165   1HB   ARG  21          1HB       ARG  21 -10.086 -16.423  -6.329
  166   2HB   ARG  21          2HB       ARG  21 -10.177 -17.540  -4.979
  167   1HG   ARG  21          1HG       ARG  21 -10.266 -19.400  -6.332
  168   2HG   ARG  21          2HG       ARG  21 -11.123 -18.543  -7.614
  169   1HD   ARG  21          1HD       ARG  21  -9.115 -18.456  -8.690
  170   2HD   ARG  21          2HD       ARG  21  -8.639 -17.253  -7.477
  171    HE   ARG  21           HE       ARG  21  -7.379 -18.937  -6.383
  172   1HH1  ARG  21          1HH1      ARG  21  -9.630 -20.333  -8.641
  173   2HH1  ARG  21          2HH1      ARG  21  -9.002 -21.932  -8.448
  174   1HH2  ARG  21          1HH2      ARG  21  -6.581 -21.024  -6.149
  175   2HH2  ARG  21          2HH2      ARG  21  -7.289 -22.323  -7.049
  176    H    LYS  22           H        LYS  22 -12.596 -16.808  -3.346
  177    HA   LYS  22           HA       LYS  22 -13.577 -19.612  -3.018
  178   1HB   LYS  22          1HB       LYS  22 -12.689 -17.483  -1.026
  179   2HB   LYS  22          2HB       LYS  22 -13.044 -19.162  -0.637
  180   1HG   LYS  22          1HG       LYS  22 -11.137 -18.971  -2.821
  181   2HG   LYS  22          2HG       LYS  22 -10.556 -18.140  -1.377
  182   1HD   LYS  22          1HD       LYS  22 -11.351 -20.284  -0.118
  183   2HD   LYS  22          2HD       LYS  22 -11.313 -21.037  -1.712
  184   1HE   LYS  22          1HE       LYS  22  -8.975 -19.611  -0.386
  185   2HE   LYS  22          2HE       LYS  22  -9.150 -21.367  -0.568
  186   1HZ   LYS  22          1HZ       LYS  22  -9.476 -20.909  -3.007
  187   2HZ   LYS  22          2HZ       LYS  22  -7.904 -20.630  -2.426
  188   3HZ   LYS  22          3HZ       LYS  22  -8.949 -19.322  -2.712
  189    H    SER  23           H        SER  23 -16.670 -18.385  -1.380
  190    HA   SER  23           HA       SER  23 -14.437 -20.372  -1.269
  191   1HB   SER  23          1HB       SER  23 -16.712 -21.126  -1.926
  192   2HB   SER  23          2HB       SER  23 -16.235 -21.838  -0.385
  193    HG   SER  23           HG       SER  23 -18.141 -19.891  -0.946
  194    H    PHE  24           H        PHE  24 -16.251 -18.020   0.577
  195    HA   PHE  24           HA       PHE  24 -14.604 -18.719   2.989
  196   1HB   PHE  24          1HB       PHE  24 -15.642 -16.113   1.828
  197   2HB   PHE  24          2HB       PHE  24 -14.945 -16.218   3.444
  198    HD1  PHE  24           HD1      PHE  24 -12.757 -18.130   3.111
  199    HD2  PHE  24           HD2      PHE  24 -14.075 -14.991   0.494
  200    HE1  PHE  24           HE1      PHE  24 -10.480 -17.985   2.138
  201    HE2  PHE  24           HE2      PHE  24 -11.800 -14.844  -0.478
  202    HZ   PHE  24           HZ       PHE  24 -10.002 -16.341   0.344
  203    H    GLU  25           H        GLU  25 -15.643 -18.389   5.067
  204    HA   GLU  25           HA       GLU  25 -18.596 -18.790   4.957
  205   1HB   GLU  25          1HB       GLU  25 -16.686 -20.213   6.175
  206   2HB   GLU  25          2HB       GLU  25 -16.919 -19.005   7.437
  207   1HG   GLU  25          1HG       GLU  25 -19.514 -19.695   6.692
  208   2HG   GLU  25          2HG       GLU  25 -18.647 -21.230   6.660
  209    H    LYS  26           H        LYS  26 -19.868 -17.654   6.688
  210    HA   LYS  26           HA       LYS  26 -19.465 -14.827   6.650
  211   1HB   LYS  26          1HB       LYS  26 -21.596 -16.137   7.005
  212   2HB   LYS  26          2HB       LYS  26 -21.029 -16.520   8.626
  213   1HG   LYS  26          1HG       LYS  26 -20.774 -13.983   8.959
  214   2HG   LYS  26          2HG       LYS  26 -21.733 -13.815   7.490
  215   1HD   LYS  26          1HD       LYS  26 -23.532 -15.168   8.512
  216   2HD   LYS  26          2HD       LYS  26 -22.578 -15.310   9.990
  217   1HE   LYS  26          1HE       LYS  26 -23.022 -13.144  10.635
  218   2HE   LYS  26          2HE       LYS  26 -23.019 -12.542   8.967
  219   1HZ   LYS  26          1HZ       LYS  26 -25.099 -14.390   9.998
  220   2HZ   LYS  26          2HZ       LYS  26 -25.138 -13.463   8.576
  221   3HZ   LYS  26          3HZ       LYS  26 -25.270 -12.703  10.089
  222    H    GLY  27           H        GLY  27 -17.210 -14.596   7.405
  223   1HA   GLY  27          1HA       GLY  27 -16.485 -13.497   9.634
  224   2HA   GLY  27          2HA       GLY  27 -16.872 -15.068  10.335
  225    H    GLU  28           H        GLU  28 -15.237 -14.294   7.257
  226    HA   GLU  28           HA       GLU  28 -12.881 -15.859   8.262
  227   1HB   GLU  28          1HB       GLU  28 -14.470 -15.805   5.740
  228   2HB   GLU  28          2HB       GLU  28 -12.731 -16.041   5.565
  229   1HG   GLU  28          1HG       GLU  28 -13.136 -17.776   7.549
  230   2HG   GLU  28          2HG       GLU  28 -14.763 -17.797   6.875
  231    H    LEU  29           H        LEU  29 -11.268 -14.395   8.704
  232    HA   LEU  29           HA       LEU  29 -11.038 -11.747   7.784
  233   1HB   LEU  29          1HB       LEU  29  -9.788 -13.074   9.618
  234   2HB   LEU  29          2HB       LEU  29  -8.717 -13.623   8.332
  235    HG   LEU  29           HG       LEU  29  -7.854 -11.611   9.557
  236   1HD1  LEU  29          1HD1      LEU  29  -8.449 -10.621   6.813
  237   2HD1  LEU  29          2HD1      LEU  29  -7.646 -12.186   6.942
  238   3HD1  LEU  29          3HD1      LEU  29  -6.903 -10.752   7.653
  239   1HD2  LEU  29          1HD2      LEU  29  -9.603  -9.720   8.193
  240   2HD2  LEU  29          2HD2      LEU  29  -9.119  -9.775   9.888
  241   3HD2  LEU  29          3HD2      LEU  29 -10.491 -10.733   9.332
  242    H    VAL  30           H        VAL  30 -10.908 -11.093   5.682
  243    HA   VAL  30           HA       VAL  30  -9.737 -12.859   3.622
  244    HB   VAL  30           HB       VAL  30 -10.982 -10.085   3.524
  245   1HG1  VAL  30          1HG1      VAL  30  -9.457 -11.093   1.591
  246   2HG1  VAL  30          2HG1      VAL  30 -10.949 -10.232   1.211
  247   3HG1  VAL  30          3HG1      VAL  30 -10.926 -11.996   1.220
  248   1HG2  VAL  30          1HG2      VAL  30 -12.105 -12.874   3.380
  249   2HG2  VAL  30          2HG2      VAL  30 -12.911 -11.550   2.539
  250   3HG2  VAL  30          3HG2      VAL  30 -12.702 -11.486   4.289
  251    H    GLU  31           H        GLU  31  -7.587 -12.481   4.987
  252    HA   GLU  31           HA       GLU  31  -5.414 -11.560   5.005
  253   1HB   GLU  31          1HB       GLU  31  -6.186 -11.795   2.455
  254   2HB   GLU  31          2HB       GLU  31  -6.107 -10.034   2.516
  255   1HG   GLU  31          1HG       GLU  31  -3.815 -10.013   2.879
  256   2HG   GLU  31          2HG       GLU  31  -3.816 -11.605   3.638
  257    H    GLU  32           H        GLU  32  -4.259  -9.434   5.219
  258    HA   GLU  32           HA       GLU  32  -6.034  -7.072   5.575
  259   1HB   GLU  32          1HB       GLU  32  -5.187  -6.815   7.897
  260   2HB   GLU  32          2HB       GLU  32  -6.021  -8.356   7.697
  261   1HG   GLU  32          1HG       GLU  32  -3.570  -9.186   7.054
  262   2HG   GLU  32          2HG       GLU  32  -3.103  -7.807   8.050
  263    H    CYS  33           H        CYS  33  -4.659  -5.085   6.063
  264    HA   CYS  33           HA       CYS  33  -1.802  -5.330   5.291
  265   1HB   CYS  33          1HB       CYS  33  -2.165  -3.691   3.444
  266   2HB   CYS  33          2HB       CYS  33  -3.087  -5.173   3.187
  267    HG   CYS  33           HG       CYS  33  -4.481  -2.686   4.467
  268    H    LEU  34           H        LEU  34  -0.914  -2.895   5.191
  269    HA   LEU  34           HA       LEU  34  -1.764  -1.630   7.741
  270   1HB   LEU  34          1HB       LEU  34   0.574  -1.159   5.852
  271   2HB   LEU  34          2HB       LEU  34   0.395  -0.432   7.448
  272    HG   LEU  34           HG       LEU  34   0.112  -3.369   7.408
  273   1HD1  LEU  34          1HD1      LEU  34   2.010  -2.599   5.707
  274   2HD1  LEU  34          2HD1      LEU  34   2.275  -3.949   6.811
  275   3HD1  LEU  34          3HD1      LEU  34   2.920  -2.353   7.198
  276   1HD2  LEU  34          1HD2      LEU  34   1.025  -3.172   9.519
  277   2HD2  LEU  34          2HD2      LEU  34   0.402  -1.533   9.334
  278   3HD2  LEU  34          3HD2      LEU  34   2.109  -1.866   9.043
  279    H    CYS  35           H        CYS  35  -1.361   0.958   7.515
  280    HA   CYS  35           HA       CYS  35  -2.531   2.002   4.991
  281   1HB   CYS  35          1HB       CYS  35  -3.778   2.056   7.755
  282   2HB   CYS  35          2HB       CYS  35  -4.260   3.194   6.498
  283    HG   CYS  35           HG       CYS  35  -5.805   1.345   5.854
  284    H    ILE  36           H        ILE  36  -2.775   4.526   5.294
  285    HA   ILE  36           HA       ILE  36  -0.300   5.483   6.703
  286    HB   ILE  36           HB       ILE  36  -1.897   6.581   4.358
  287   1HG1  ILE  36          1HG1      ILE  36   0.856   5.313   4.493
  288   2HG1  ILE  36          2HG1      ILE  36  -0.594   4.530   3.866
  289   1HG2  ILE  36          1HG2      ILE  36   0.810   7.531   5.301
  290   2HG2  ILE  36          2HG2      ILE  36  -0.679   8.247   5.917
  291   3HG2  ILE  36          3HG2      ILE  36  -0.307   8.331   4.196
  292   1HD1  ILE  36          1HD1      ILE  36   0.193   7.199   2.750
  293   2HD1  ILE  36          2HD1      ILE  36  -0.662   5.870   1.969
  294   3HD1  ILE  36          3HD1      ILE  36   1.080   5.768   2.225
  295    H    VAL  37           H        VAL  37  -0.504   7.198   8.180
  296    HA   VAL  37           HA       VAL  37  -3.310   8.118   8.722
  297    HB   VAL  37           HB       VAL  37  -0.934   7.804  10.591
  298   1HG1  VAL  37          1HG1      VAL  37  -2.431   9.469  11.456
  299   2HG1  VAL  37          2HG1      VAL  37  -2.782   7.977  12.329
  300   3HG1  VAL  37          3HG1      VAL  37  -3.845   8.507  11.024
  301   1HG2  VAL  37          1HG2      VAL  37  -2.738   5.977  11.429
  302   2HG2  VAL  37          2HG2      VAL  37  -1.466   5.597  10.266
  303   3HG2  VAL  37          3HG2      VAL  37  -3.094   5.970   9.701
  304    H    ARG  38           H        ARG  38  -3.538  10.215   8.065
  305    HA   ARG  38           HA       ARG  38  -1.429  12.177   8.821
  306   1HB   ARG  38          1HB       ARG  38  -2.154  11.196   6.138
  307   2HB   ARG  38          2HB       ARG  38  -2.173  12.955   6.267
  308   1HG   ARG  38          1HG       ARG  38   0.136  11.234   7.209
  309   2HG   ARG  38          2HG       ARG  38   0.067  11.983   5.613
  310   1HD   ARG  38          1HD       ARG  38  -0.505  13.835   7.850
  311   2HD   ARG  38          2HD       ARG  38   1.152  13.205   7.812
  312    HE   ARG  38           HE       ARG  38   0.414  13.889   5.150
  313   1HH1  ARG  38          1HH1      ARG  38   1.023  15.414   8.220
  314   2HH1  ARG  38          2HH1      ARG  38   1.559  16.894   7.503
  315   1HH2  ARG  38          1HH2      ARG  38   1.113  15.819   4.243
  316   2HH2  ARG  38          2HH2      ARG  38   1.611  17.124   5.268
  317    H    HIS  39           H        HIS  39  -2.260  14.390   8.838
  318    HA   HIS  39           HA       HIS  39  -5.104  14.537   9.543
  319   1HB   HIS  39          1HB       HIS  39  -2.625  16.138   9.742
  320   2HB   HIS  39          2HB       HIS  39  -4.089  17.100   9.537
  321    HD1  HIS  39           HD1      HIS  39  -3.900  17.900  12.040
  322    HD2  HIS  39           HD2      HIS  39  -4.444  13.793  11.580
  323    HE1  HIS  39           HE1      HIS  39  -4.538  17.002  14.321
  324    H    ASN  40           H        ASN  40  -6.270  16.617   8.605
  325    HA   ASN  40           HA       ASN  40  -6.713  16.208   5.807
  326   1HB   ASN  40          1HB       ASN  40  -8.133  18.242   6.113
  327   2HB   ASN  40          2HB       ASN  40  -8.357  17.081   7.418
  328   1HD2  ASN  40          1HD2      ASN  40  -8.868  18.577   9.103
  329   2HD2  ASN  40          2HD2      ASN  40  -7.775  19.750   9.661
  330    H    ASP  41           H        ASP  41  -6.713  19.368   5.476
  331    HA   ASP  41           HA       ASP  41  -5.275  20.983   4.546
  332   1HB   ASP  41          1HB       ASP  41  -4.030  20.052   6.743
  333   2HB   ASP  41          2HB       ASP  41  -2.879  19.486   5.532
  334    H    ASP  42           H        ASP  42  -2.510  20.308   3.619
  335    HA   ASP  42           HA       ASP  42  -2.905  19.742   0.935
  336   1HB   ASP  42          1HB       ASP  42  -0.502  19.000   1.017
  337   2HB   ASP  42          2HB       ASP  42  -0.792  20.485   1.922
  338    H    TRP  43           H        TRP  43  -2.410  17.350   3.539
  339    HA   TRP  43           HA       TRP  43  -2.318  15.013   1.899
  340   1HB   TRP  43          1HB       TRP  43  -1.673  15.028   4.243
  341   2HB   TRP  43          2HB       TRP  43  -3.275  15.575   4.729
  342    HD1  TRP  43           HD1      TRP  43  -5.018  13.779   5.255
  343    HE1  TRP  43           HE1      TRP  43  -5.125  11.215   5.024
  344    HE3  TRP  43           HE3      TRP  43  -0.737  12.954   2.597
  345    HZ2  TRP  43           HZ2      TRP  43  -3.598   9.095   3.865
  346    HZ3  TRP  43           HZ3      TRP  43  -0.090  10.654   1.942
  347    HH2  TRP  43           HH2      TRP  43  -1.512   8.725   2.572
  348    H    GLY  44           H        GLY  44  -5.027  16.885   3.222
  349   1HA   GLY  44          1HA       GLY  44  -7.094  15.013   2.556
  350   2HA   GLY  44          2HA       GLY  44  -7.334  16.740   2.819
  351    H    THR  45           H        THR  45  -5.505  17.599   0.727
  352    HA   THR  45           HA       THR  45  -7.326  17.299  -1.560
  353    HB   THR  45           HB       THR  45  -4.699  18.770  -1.136
  354    HG1  THR  45           HG1      THR  45  -5.907  20.250  -0.290
  355   1HG2  THR  45          1HG2      THR  45  -4.767  19.363  -3.310
  356   2HG2  THR  45          2HG2      THR  45  -6.456  19.849  -3.170
  357   3HG2  THR  45          3HG2      THR  45  -6.049  18.170  -3.538
  358    H    ALA  46           H        ALA  46  -3.783  16.814  -1.158
  359    HA   ALA  46           HA       ALA  46  -3.209  15.575  -3.591
  360   1HB   ALA  46          1HB       ALA  46  -1.617  16.221  -1.772
  361   2HB   ALA  46          2HB       ALA  46  -1.321  14.584  -2.358
  362   3HB   ALA  46          3HB       ALA  46  -2.166  14.835  -0.831
  363    H    LEU  47           H        LEU  47  -3.939  13.782  -0.568
  364    HA   LEU  47           HA       LEU  47  -4.602  11.380  -2.175
  365   1HB   LEU  47          1HB       LEU  47  -4.326  11.982   0.792
  366   2HB   LEU  47          2HB       LEU  47  -4.766  10.395   0.170
  367    HG   LEU  47           HG       LEU  47  -2.405  10.328   0.540
  368   1HD1  LEU  47          1HD1      LEU  47  -2.182  10.977  -2.333
  369   2HD1  LEU  47          2HD1      LEU  47  -3.459   9.830  -1.928
  370   3HD1  LEU  47          3HD1      LEU  47  -1.788   9.486  -1.480
  371   1HD2  LEU  47          1HD2      LEU  47  -0.947  12.061   0.206
  372   2HD2  LEU  47          2HD2      LEU  47  -2.425  13.007   0.365
  373   3HD2  LEU  47          3HD2      LEU  47  -1.786  12.632  -1.236
  374    H    GLU  48           H        GLU  48  -6.372  13.840  -2.111
  375    HA   GLU  48           HA       GLU  48  -8.621  13.681  -0.514
  376   1HB   GLU  48          1HB       GLU  48  -9.812  14.615  -2.548
  377   2HB   GLU  48          2HB       GLU  48  -8.300  15.425  -2.149
  378   1HG   GLU  48          1HG       GLU  48  -8.198  15.095  -4.489
  379   2HG   GLU  48          2HG       GLU  48  -7.194  13.812  -3.831
  380    H    ASP  49           H        ASP  49  -7.711  11.370  -2.998
  381    HA   ASP  49           HA       ASP  49 -10.345  10.015  -2.675
  382   1HB   ASP  49          1HB       ASP  49  -9.666   8.961  -4.853
  383   2HB   ASP  49          2HB       ASP  49  -9.772  10.715  -4.956
  384    H    TYR  50           H        TYR  50 -10.138   7.586  -2.759
  385    HA   TYR  50           HA       TYR  50  -9.317   5.595  -1.768
  386   1HB   TYR  50          1HB       TYR  50  -6.701   6.923  -2.581
  387   2HB   TYR  50          2HB       TYR  50  -6.958   5.197  -2.343
  388    HD1  TYR  50           HD1      TYR  50  -9.235   4.371  -3.688
  389    HD2  TYR  50           HD2      TYR  50  -6.611   7.584  -4.803
  390    HE1  TYR  50           HE1      TYR  50  -9.983   4.165  -6.044
  391    HE2  TYR  50           HE2      TYR  50  -7.358   7.378  -7.158
  392    HH   TYR  50           HH       TYR  50  -9.464   4.753  -8.195
  393    H    LEU  51           H        LEU  51  -9.590   8.066  -0.072
  394    HA   LEU  51           HA       LEU  51  -7.478   7.484   1.974
  395   1HB   LEU  51          1HB       LEU  51  -7.990   9.791   0.678
  396   2HB   LEU  51          2HB       LEU  51  -9.148   9.967   1.992
  397    HG   LEU  51           HG       LEU  51  -7.351   9.638   3.640
  398   1HD1  LEU  51          1HD1      LEU  51  -5.485   8.550   3.010
  399   2HD1  LEU  51          2HD1      LEU  51  -5.031   9.954   2.046
  400   3HD1  LEU  51          3HD1      LEU  51  -5.962   8.647   1.315
  401   1HD2  LEU  51          1HD2      LEU  51  -6.869  11.842   3.536
  402   2HD2  LEU  51          2HD2      LEU  51  -7.724  11.865   1.993
  403   3HD2  LEU  51          3HD2      LEU  51  -5.974  11.639   2.029
  404    H    PHE  52           H        PHE  52  -8.292   6.309   3.655
  405    HA   PHE  52           HA       PHE  52 -11.183   6.385   4.299
  406   1HB   PHE  52          1HB       PHE  52  -8.749   4.803   5.164
  407   2HB   PHE  52          2HB       PHE  52 -10.280   4.656   6.027
  408    HD1  PHE  52           HD1      PHE  52  -9.074   4.751   2.466
  409    HD2  PHE  52           HD2      PHE  52 -11.685   2.934   5.352
  410    HE1  PHE  52           HE1      PHE  52  -9.901   3.186   0.730
  411    HE2  PHE  52           HE2      PHE  52 -12.512   1.367   3.616
  412    HZ   PHE  52           HZ       PHE  52 -11.621   1.493   1.305
  413    H    SER  53           H        SER  53 -11.714   8.218   5.490
  414    HA   SER  53           HA       SER  53  -9.779   9.140   7.569
  415   1HB   SER  53          1HB       SER  53 -10.572  10.658   5.725
  416   2HB   SER  53          2HB       SER  53 -12.212  10.496   6.353
  417    HG   SER  53           HG       SER  53 -11.611  12.157   7.503
  418    H    ARG  54           H        ARG  54 -10.554   9.659   9.683
  419    HA   ARG  54           HA       ARG  54 -13.228   8.511  10.398
  420   1HB   ARG  54          1HB       ARG  54 -12.067   7.636  12.450
  421   2HB   ARG  54          2HB       ARG  54 -11.426   6.940  10.962
  422   1HG   ARG  54          1HG       ARG  54  -9.477   8.269  11.041
  423   2HG   ARG  54          2HG       ARG  54 -10.199   9.418  12.167
  424   1HD   ARG  54          1HD       ARG  54  -9.711   6.519  12.913
  425   2HD   ARG  54          2HD       ARG  54  -8.515   7.796  13.205
  426    HE   ARG  54           HE       ARG  54 -10.997   8.764  14.152
  427   1HH1  ARG  54          1HH1      ARG  54  -8.770   6.178  14.838
  428   2HH1  ARG  54          2HH1      ARG  54  -9.196   6.108  16.512
  429   1HH2  ARG  54          1HH2      ARG  54 -11.533   8.654  16.329
  430   2HH2  ARG  54          2HH2      ARG  54 -10.748   7.498  17.353
  431    H    LYS  55           H        LYS  55 -13.478   9.218  12.958
  432    HA   LYS  55           HA       LYS  55 -13.587  12.125  12.885
  433   1HB   LYS  55          1HB       LYS  55 -14.595   9.850  14.454
  434   2HB   LYS  55          2HB       LYS  55 -14.218  11.250  15.458
  435   1HG   LYS  55          1HG       LYS  55 -15.800  11.566  12.912
  436   2HG   LYS  55          2HG       LYS  55 -16.596  11.093  14.413
  437   1HD   LYS  55          1HD       LYS  55 -15.114  13.165  15.322
  438   2HD   LYS  55          2HD       LYS  55 -15.363  13.690  13.657
  439   1HE   LYS  55          1HE       LYS  55 -17.617  12.785  15.483
  440   2HE   LYS  55          2HE       LYS  55 -17.172  14.483  15.224
  441   1HZ   LYS  55          1HZ       LYS  55 -17.316  13.947  12.772
  442   2HZ   LYS  55          2HZ       LYS  55 -18.798  13.994  13.602
  443   3HZ   LYS  55          3HZ       LYS  55 -18.089  12.500  13.214
  444    H    ASN  56           H        ASN  56 -11.228  12.454  12.715
  445    HA   ASN  56           HA       ASN  56  -9.502  11.760  14.965
  446   1HB   ASN  56          1HB       ASN  56  -9.850  14.675  14.625
  447   2HB   ASN  56          2HB       ASN  56 -11.187  13.821  15.384
  448   1HD2  ASN  56          1HD2      ASN  56  -7.575  13.736  15.589
  449   2HD2  ASN  56          2HD2      ASN  56  -7.532  13.674  17.285
  450    H    MET  57           H        MET  57  -9.625  11.718  11.917
  451    HA   MET  57           HA       MET  57  -7.745  13.660  10.903
  452   1HB   MET  57          1HB       MET  57  -5.742  12.233  10.891
  453   2HB   MET  57          2HB       MET  57  -6.310  12.470  12.541
  454   1HG   MET  57          1HG       MET  57  -7.716  10.231  11.604
  455   2HG   MET  57          2HG       MET  57  -6.071  10.024  11.018
  456   1HE   MET  57          1HE       MET  57  -3.857  10.348  14.001
  457   2HE   MET  57          2HE       MET  57  -4.729  11.879  13.909
  458   3HE   MET  57          3HE       MET  57  -4.235  11.055  12.430
  459    H    SER  58           H        SER  58  -6.403  12.161   8.996
  460    HA   SER  58           HA       SER  58  -8.542  10.625   7.575
  461   1HB   SER  58          1HB       SER  58  -6.732  12.696   6.298
  462   2HB   SER  58          2HB       SER  58  -8.179  11.961   5.609
  463    HG   SER  58           HG       SER  58  -9.003  13.766   6.368
  464    H    ALA  59           H        ALA  59  -7.618   8.610   7.362
  465    HA   ALA  59           HA       ALA  59  -4.688   8.416   6.821
  466   1HB   ALA  59          1HB       ALA  59  -6.858   6.604   7.889
  467   2HB   ALA  59          2HB       ALA  59  -5.344   7.077   8.661
  468   3HB   ALA  59          3HB       ALA  59  -5.330   5.924   7.327
  469    H    MET  60           H        MET  60  -4.168   6.466   5.292
  470    HA   MET  60           HA       MET  60  -5.965   6.652   2.896
  471   1HB   MET  60          1HB       MET  60  -3.294   7.291   3.213
  472   2HB   MET  60          2HB       MET  60  -3.198   5.641   2.609
  473   1HG   MET  60          1HG       MET  60  -5.171   6.856   1.032
  474   2HG   MET  60          2HG       MET  60  -3.911   8.080   1.189
  475   1HE   MET  60          1HE       MET  60  -2.274   7.620  -1.626
  476   2HE   MET  60          2HE       MET  60  -3.807   8.185  -0.959
  477   3HE   MET  60          3HE       MET  60  -3.785   6.861  -2.125
  478    H    ALA  61           H        ALA  61  -6.074   4.642   1.577
  479    HA   ALA  61           HA       ALA  61  -6.269   2.235   3.265
  480   1HB   ALA  61          1HB       ALA  61  -6.649   1.737   0.465
  481   2HB   ALA  61          2HB       ALA  61  -7.370   3.304   0.832
  482   3HB   ALA  61          3HB       ALA  61  -7.889   1.867   1.713
  483    H    LEU  62           H        LEU  62  -4.009   1.933   3.742
  484    HA   LEU  62           HA       LEU  62  -1.924   0.881   3.383
  485   1HB   LEU  62          1HB       LEU  62  -2.093   2.619   0.933
  486   2HB   LEU  62          2HB       LEU  62  -1.896   3.288   2.528
  487    HG   LEU  62           HG       LEU  62  -0.028   1.364   1.122
  488   1HD1  LEU  62          1HD1      LEU  62   1.135   3.832   2.054
  489   2HD1  LEU  62          2HD1      LEU  62  -0.271   4.195   1.050
  490   3HD1  LEU  62          3HD1      LEU  62   1.045   3.213   0.407
  491   1HD2  LEU  62          1HD2      LEU  62  -0.429   2.123   3.901
  492   2HD2  LEU  62          2HD2      LEU  62   1.224   2.384   3.348
  493   3HD2  LEU  62          3HD2      LEU  62   0.495   0.784   3.229
  494    H    GLY  63           H        GLY  63  -2.819  -1.279   2.877
  495   1HA   GLY  63          1HA       GLY  63  -1.812  -2.337   0.424
  496   2HA   GLY  63          2HA       GLY  63  -2.860  -3.206   1.544
  497    H    PHE  64           H        PHE  64  -4.509  -4.006   0.325
  498    HA   PHE  64           HA       PHE  64  -5.553  -2.547  -1.997
  499   1HB   PHE  64          1HB       PHE  64  -6.444  -5.093  -0.589
  500   2HB   PHE  64          2HB       PHE  64  -6.923  -4.593  -2.210
  501    HD1  PHE  64           HD1      PHE  64  -4.980  -4.121  -3.902
  502    HD2  PHE  64           HD2      PHE  64  -4.542  -6.430  -0.305
  503    HE1  PHE  64           HE1      PHE  64  -2.943  -5.187  -4.833
  504    HE2  PHE  64           HE2      PHE  64  -2.505  -7.495  -1.237
  505    HZ   PHE  64           HZ       PHE  64  -1.706  -6.873  -3.501
  506    H    GLY  65           H        GLY  65  -5.986  -0.907   0.186
  507   1HA   GLY  65          1HA       GLY  65  -8.737  -1.389   1.159
  508   2HA   GLY  65          2HA       GLY  65  -7.669  -0.089   1.689
  509    H    ALA  66           H        ALA  66  -7.025   0.484  -1.224
  510    HA   ALA  66           HA       ALA  66  -9.302   2.317  -1.670
  511   1HB   ALA  66          1HB       ALA  66  -7.634   3.027  -3.550
  512   2HB   ALA  66          2HB       ALA  66  -6.509   1.925  -2.757
  513   3HB   ALA  66          3HB       ALA  66  -7.157   3.307  -1.875
  514    H    ILE  67           H        ILE  67  -7.716  -0.442  -3.261
  515    HA   ILE  67           HA       ILE  67  -9.031  -0.354  -5.763
  516    HB   ILE  67           HB       ILE  67  -8.561  -2.838  -5.717
  517   1HG1  ILE  67          1HG1      ILE  67  -7.046  -3.031  -3.361
  518   2HG1  ILE  67          2HG1      ILE  67  -8.565  -2.281  -2.870
  519   1HG2  ILE  67          1HG2      ILE  67  -6.764  -1.492  -6.459
  520   2HG2  ILE  67          2HG2      ILE  67  -6.054  -2.499  -5.196
  521   3HG2  ILE  67          3HG2      ILE  67  -6.487  -0.825  -4.849
  522   1HD1  ILE  67          1HD1      ILE  67  -8.182  -4.909  -4.320
  523   2HD1  ILE  67          2HD1      ILE  67  -9.747  -4.104  -4.205
  524   3HD1  ILE  67          3HD1      ILE  67  -8.923  -4.645  -2.742
  525    H    PHE  68           H        PHE  68 -10.303  -1.157  -2.622
  526    HA   PHE  68           HA       PHE  68 -12.460  -2.864  -3.289
  527   1HB   PHE  68          1HB       PHE  68 -11.953  -0.717  -1.227
  528   2HB   PHE  68          2HB       PHE  68 -13.496  -1.571  -1.260
  529    HD1  PHE  68           HD1      PHE  68 -12.834  -4.279  -1.998
  530    HD2  PHE  68           HD2      PHE  68 -10.671  -1.571   0.539
  531    HE1  PHE  68           HE1      PHE  68 -11.802  -6.204  -0.824
  532    HE2  PHE  68           HE2      PHE  68  -9.638  -3.496   1.713
  533    HZ   PHE  68           HZ       PHE  68 -10.204  -5.813   1.031
  534    H    ASN  69           H        ASN  69 -14.119  -2.503  -4.696
  535    HA   ASN  69           HA       ASN  69 -14.710   0.238  -5.620
  536   1HB   ASN  69          1HB       ASN  69 -15.834  -2.495  -6.346
  537   2HB   ASN  69          2HB       ASN  69 -16.088  -1.008  -7.261
  538   1HD2  ASN  69          1HD2      ASN  69 -14.863  -3.074  -8.645
  539   2HD2  ASN  69          2HD2      ASN  69 -13.207  -2.754  -8.848
  540    H    HIS  70           H        HIS  70 -17.226   0.601  -5.966
  541    HA   HIS  70           HA       HIS  70 -18.482   0.296  -3.285
  542   1HB   HIS  70          1HB       HIS  70 -18.159   2.502  -4.554
  543   2HB   HIS  70          2HB       HIS  70 -19.385   1.924  -5.682
  544    HD1  HIS  70           HD1      HIS  70 -19.009   2.415  -1.912
  545    HD2  HIS  70           HD2      HIS  70 -21.952   2.524  -4.863
  546    HE1  HIS  70           HE1      HIS  70 -21.144   3.154  -0.768
  547    H    SER  71           H        SER  71 -19.738  -1.532  -3.123
  548    HA   SER  71           HA       SER  71 -21.402  -2.303  -5.498
  549   1HB   SER  71          1HB       SER  71 -19.729  -3.963  -4.917
  550   2HB   SER  71          2HB       SER  71 -20.171  -3.881  -3.211
  551    HG   SER  71           HG       SER  71 -21.333  -5.552  -3.835
  552    H    LYS  72           H        LYS  72 -23.576  -3.094  -5.000
  553    HA   LYS  72           HA       LYS  72 -24.921  -1.555  -2.941
  554   1HB   LYS  72          1HB       LYS  72 -25.772  -3.839  -4.761
  555   2HB   LYS  72          2HB       LYS  72 -26.888  -2.857  -3.813
  556   1HG   LYS  72          1HG       LYS  72 -25.030  -1.222  -5.364
  557   2HG   LYS  72          2HG       LYS  72 -25.993  -2.286  -6.388
  558   1HD   LYS  72          1HD       LYS  72 -27.960  -1.231  -5.863
  559   2HD   LYS  72          2HD       LYS  72 -27.454  -0.893  -4.208
  560   1HE   LYS  72          1HE       LYS  72 -25.752   0.758  -5.355
  561   2HE   LYS  72          2HE       LYS  72 -26.888   0.673  -6.714
  562   1HZ   LYS  72          1HZ       LYS  72 -28.692   1.211  -5.219
  563   2HZ   LYS  72          2HZ       LYS  72 -27.497   2.412  -5.099
  564   3HZ   LYS  72          3HZ       LYS  72 -27.637   1.231  -3.887
  565    H    ASP  73           H        ASP  73 -23.551  -4.763  -3.099
  566    HA   ASP  73           HA       ASP  73 -24.589  -5.288  -0.336
  567   1HB   ASP  73          1HB       ASP  73 -24.297  -7.215  -2.673
  568   2HB   ASP  73          2HB       ASP  73 -24.859  -7.651  -1.059
  569    HA   PRO  74           HA       PRO  74 -19.938  -5.592  -0.672
  570   1HB   PRO  74          1HB       PRO  74 -19.524  -4.338   1.777
  571   2HB   PRO  74          2HB       PRO  74 -19.523  -3.504   0.213
  572   1HG   PRO  74          1HG       PRO  74 -21.665  -3.689   2.267
  573   2HG   PRO  74          2HG       PRO  74 -21.223  -2.337   1.215
  574   1HD   PRO  74          1HD       PRO  74 -23.380  -3.920   0.764
  575   2HD   PRO  74          2HD       PRO  74 -22.471  -3.133  -0.543
  576    H    ASN  75           H        ASN  75 -20.128  -7.871  -0.299
  577    HA   ASN  75           HA       ASN  75 -21.009  -9.009   2.205
  578   1HB   ASN  75          1HB       ASN  75 -19.231 -10.116  -0.001
  579   2HB   ASN  75          2HB       ASN  75 -20.133 -11.070   1.174
  580   1HD2  ASN  75          1HD2      ASN  75 -22.554  -9.382   1.099
  581   2HD2  ASN  75          2HD2      ASN  75 -23.283  -9.645  -0.410
  582    H    ALA  76           H        ALA  76 -18.071  -7.477   1.266
  583    HA   ALA  76           HA       ALA  76 -16.634  -8.771   3.557
  584   1HB   ALA  76          1HB       ALA  76 -15.386  -7.247   1.262
  585   2HB   ALA  76          2HB       ALA  76 -15.854  -8.937   1.074
  586   3HB   ALA  76          3HB       ALA  76 -14.650  -8.484   2.281
  587    H    ARG  77           H        ARG  77 -16.551  -7.426   5.304
  588    HA   ARG  77           HA       ARG  77 -16.726  -4.481   4.884
  589   1HB   ARG  77          1HB       ARG  77 -17.890  -6.292   6.646
  590   2HB   ARG  77          2HB       ARG  77 -16.625  -5.548   7.624
  591   1HG   ARG  77          1HG       ARG  77 -17.677  -3.365   6.338
  592   2HG   ARG  77          2HG       ARG  77 -19.109  -4.373   6.550
  593   1HD   ARG  77          1HD       ARG  77 -18.825  -4.444   8.929
  594   2HD   ARG  77          2HD       ARG  77 -17.181  -3.785   8.819
  595    HE   ARG  77           HE       ARG  77 -18.964  -1.964   7.538
  596   1HH1  ARG  77          1HH1      ARG  77 -18.216  -3.200  10.705
  597   2HH1  ARG  77          2HH1      ARG  77 -18.728  -1.757  11.510
  598   1HH2  ARG  77          1HH2      ARG  77 -19.624  -0.102   8.605
  599   2HH2  ARG  77          2HH2      ARG  77 -19.520  -0.015  10.332
  600    H    HIS  78           H        HIS  78 -15.302  -3.214   6.550
  601    HA   HIS  78           HA       HIS  78 -12.564  -4.441   6.568
  602   1HB   HIS  78          1HB       HIS  78 -11.795  -2.092   6.252
  603   2HB   HIS  78          2HB       HIS  78 -12.885  -2.594   4.960
  604    HD1  HIS  78           HD1      HIS  78 -15.133  -1.398   4.770
  605    HD2  HIS  78           HD2      HIS  78 -12.990  -0.273   8.164
  606    HE1  HIS  78           HE1      HIS  78 -16.350   0.591   5.758
  607    H    GLU  79           H        GLU  79 -11.295  -4.098   8.437
  608    HA   GLU  79           HA       GLU  79 -12.697  -2.838  10.772
  609   1HB   GLU  79          1HB       GLU  79 -12.515  -5.447  10.530
  610   2HB   GLU  79          2HB       GLU  79 -10.825  -5.200  10.963
  611   1HG   GLU  79          1HG       GLU  79 -11.603  -3.934  12.993
  612   2HG   GLU  79          2HG       GLU  79 -13.255  -4.399  12.588
  613    H    LEU  80           H        LEU  80 -11.391  -1.489  12.018
  614    HA   LEU  80           HA       LEU  80  -8.540  -1.216  11.134
  615   1HB   LEU  80          1HB       LEU  80 -10.760   0.630  11.825
  616   2HB   LEU  80          2HB       LEU  80  -9.173   1.107  12.424
  617    HG   LEU  80           HG       LEU  80  -9.320   0.160   9.604
  618   1HD1  LEU  80          1HD1      LEU  80 -11.321   1.722  10.051
  619   2HD1  LEU  80          2HD1      LEU  80 -10.228   2.175   8.743
  620   3HD1  LEU  80          3HD1      LEU  80 -10.118   2.987  10.305
  621   1HD2  LEU  80          1HD2      LEU  80  -7.178   0.835  10.201
  622   2HD2  LEU  80          2HD2      LEU  80  -7.769   2.095  11.283
  623   3HD2  LEU  80          3HD2      LEU  80  -7.818   2.338   9.536
  624    H    THR  81           H        THR  81  -6.975  -1.549  12.664
  625    HA   THR  81           HA       THR  81  -7.497  -2.701  15.201
  626    HB   THR  81           HB       THR  81  -5.074  -2.130  15.573
  627    HG1  THR  81           HG1      THR  81  -5.179  -0.917  13.032
  628   1HG2  THR  81          1HG2      THR  81  -6.232  -3.742  13.563
  629   2HG2  THR  81          2HG2      THR  81  -4.622  -3.906  14.265
  630   3HG2  THR  81          3HG2      THR  81  -4.854  -2.940  12.808
  631    H    ALA  82           H        ALA  82  -6.064  -1.311  17.101
  632    HA   ALA  82           HA       ALA  82  -7.962   0.723  17.941
  633   1HB   ALA  82          1HB       ALA  82  -5.570  -0.718  18.930
  634   2HB   ALA  82          2HB       ALA  82  -7.061  -0.311  19.780
  635   3HB   ALA  82          3HB       ALA  82  -5.785   0.895  19.611
  636    H    GLY  83           H        GLY  83  -7.252   1.815  15.627
  637   1HA   GLY  83          1HA       GLY  83  -6.301   4.364  16.108
  638   2HA   GLY  83          2HA       GLY  83  -4.837   3.439  15.779
  639    H    LEU  84           H        LEU  84  -4.254   3.941  13.715
  640    HA   LEU  84           HA       LEU  84  -6.201   3.399  11.533
  641   1HB   LEU  84          1HB       LEU  84  -5.775   5.946  12.552
  642   2HB   LEU  84          2HB       LEU  84  -4.658   5.889  11.193
  643    HG   LEU  84           HG       LEU  84  -6.474   5.235   9.687
  644   1HD1  LEU  84          1HD1      LEU  84  -7.966   5.040  12.275
  645   2HD1  LEU  84          2HD1      LEU  84  -8.020   3.978  10.868
  646   3HD1  LEU  84          3HD1      LEU  84  -8.854   5.530  10.832
  647   1HD2  LEU  84          1HD2      LEU  84  -7.528   7.341   9.562
  648   2HD2  LEU  84          2HD2      LEU  84  -6.022   7.690  10.413
  649   3HD2  LEU  84          3HD2      LEU  84  -7.531   7.544  11.314
  650    H    LYS  85           H        LYS  85  -3.609   2.237  12.592
  651    HA   LYS  85           HA       LYS  85  -1.756   2.818  10.335
  652   1HB   LYS  85          1HB       LYS  85  -1.507   1.312  12.963
  653   2HB   LYS  85          2HB       LYS  85  -0.184   1.510  11.814
  654   1HG   LYS  85          1HG       LYS  85  -0.684   4.044  11.982
  655   2HG   LYS  85          2HG       LYS  85  -1.598   3.628  13.432
  656   1HD   LYS  85          1HD       LYS  85   0.617   2.279  14.021
  657   2HD   LYS  85          2HD       LYS  85   1.348   3.456  12.929
  658   1HE   LYS  85          1HE       LYS  85  -0.054   5.192  14.365
  659   2HE   LYS  85          2HE       LYS  85   0.020   3.905  15.584
  660   1HZ   LYS  85          1HZ       LYS  85   1.968   5.442  15.613
  661   2HZ   LYS  85          2HZ       LYS  85   2.375   4.890  14.059
  662   3HZ   LYS  85          3HZ       LYS  85   2.384   3.813  15.372
  663    H    ARG  86           H        ARG  86  -3.564   0.131  11.827
  664    HA   ARG  86           HA       ARG  86  -3.027  -1.461   9.347
  665   1HB   ARG  86          1HB       ARG  86  -2.011  -1.867  11.962
  666   2HB   ARG  86          2HB       ARG  86  -3.249  -3.099  11.727
  667   1HG   ARG  86          1HG       ARG  86  -1.746  -2.916   9.308
  668   2HG   ARG  86          2HG       ARG  86  -0.600  -3.024  10.644
  669   1HD   ARG  86          1HD       ARG  86  -2.318  -4.925  11.455
  670   2HD   ARG  86          2HD       ARG  86  -2.609  -5.026   9.708
  671    HE   ARG  86           HE       ARG  86   0.171  -4.861   9.981
  672   1HH1  ARG  86          1HH1      ARG  86  -2.359  -6.973  11.103
  673   2HH1  ARG  86          2HH1      ARG  86  -1.327  -8.360  11.159
  674   1HH2  ARG  86          1HH2      ARG  86   1.490  -6.674  10.062
  675   2HH2  ARG  86          2HH2      ARG  86   0.837  -8.194  10.574
  676    H    MET  87           H        MET  87  -4.767  -2.743   8.671
  677    HA   MET  87           HA       MET  87  -7.156  -3.003  10.399
  678   1HB   MET  87          1HB       MET  87  -8.484  -2.131   8.309
  679   2HB   MET  87          2HB       MET  87  -7.742  -0.957   9.389
  680   1HG   MET  87          1HG       MET  87  -6.102  -0.390   7.865
  681   2HG   MET  87          2HG       MET  87  -6.126  -1.971   7.083
  682   1HE   MET  87          1HE       MET  87  -8.211  -2.299   4.653
  683   2HE   MET  87          2HE       MET  87  -9.586  -2.128   5.743
  684   3HE   MET  87          3HE       MET  87  -8.115  -2.925   6.299
  685    H    ARG  88           H        ARG  88  -8.471  -4.771   9.772
  686    HA   ARG  88           HA       ARG  88  -7.292  -6.508   7.628
  687   1HB   ARG  88          1HB       ARG  88  -8.993  -7.234  10.040
  688   2HB   ARG  88          2HB       ARG  88  -8.128  -8.355   8.990
  689   1HG   ARG  88          1HG       ARG  88  -6.489  -8.198  10.565
  690   2HG   ARG  88          2HG       ARG  88  -6.104  -6.681   9.752
  691   1HD   ARG  88          1HD       ARG  88  -6.891  -5.422  11.493
  692   2HD   ARG  88          2HD       ARG  88  -8.286  -6.489  11.749
  693    HE   ARG  88           HE       ARG  88  -5.711  -6.711  13.083
  694   1HH1  ARG  88          1HH1      ARG  88  -8.402  -8.512  11.804
  695   2HH1  ARG  88          2HH1      ARG  88  -8.150  -9.853  12.866
  696   1HH2  ARG  88          1HH2      ARG  88  -5.404  -8.465  14.450
  697   2HH2  ARG  88          2HH2      ARG  88  -6.466  -9.829  14.353
  698    H    ILE  89           H        ILE  89  -8.892  -7.852   6.436
  699    HA   ILE  89           HA       ILE  89 -11.493  -6.404   6.104
  700    HB   ILE  89           HB       ILE  89  -9.806  -8.142   4.265
  701   1HG1  ILE  89          1HG1      ILE  89 -10.599  -5.335   3.643
  702   2HG1  ILE  89          2HG1      ILE  89  -9.384  -5.564   4.900
  703   1HG2  ILE  89          1HG2      ILE  89 -11.477  -7.536   2.520
  704   2HG2  ILE  89          2HG2      ILE  89 -12.471  -6.778   3.764
  705   3HG2  ILE  89          3HG2      ILE  89 -12.184  -8.517   3.803
  706   1HD1  ILE  89          1HD1      ILE  89  -7.901  -6.670   3.419
  707   2HD1  ILE  89          2HD1      ILE  89  -8.539  -5.325   2.473
  708   3HD1  ILE  89          3HD1      ILE  89  -9.171  -6.953   2.227
  709    H    PHE  90           H        PHE  90 -13.355  -7.535   6.562
  710    HA   PHE  90           HA       PHE  90 -13.086 -10.479   7.088
  711   1HB   PHE  90          1HB       PHE  90 -14.583  -8.206   8.391
  712   2HB   PHE  90          2HB       PHE  90 -15.163  -9.859   8.587
  713    HD1  PHE  90           HD1      PHE  90 -14.007 -11.436   9.977
  714    HD2  PHE  90           HD2      PHE  90 -12.293  -7.580   9.171
  715    HE1  PHE  90           HE1      PHE  90 -12.309 -11.821  11.743
  716    HE2  PHE  90           HE2      PHE  90 -10.595  -7.966  10.937
  717    HZ   PHE  90           HZ       PHE  90 -10.603 -10.086  12.223
  718    H    THR  91           H        THR  91 -15.521 -11.417   7.065
  719    HA   THR  91           HA       THR  91 -16.843 -10.418   4.562
  720    HB   THR  91           HB       THR  91 -17.285 -12.853   4.128
  721    HG1  THR  91           HG1      THR  91 -16.181 -14.336   5.434
  722   1HG2  THR  91          1HG2      THR  91 -14.333 -12.504   4.611
  723   2HG2  THR  91          2HG2      THR  91 -15.161 -11.518   3.405
  724   3HG2  THR  91          3HG2      THR  91 -15.148 -13.275   3.249
  725    H    ILE  92           H        ILE  92 -18.690  -9.444   5.393
  726    HA   ILE  92           HA       ILE  92 -20.069 -10.198   7.770
  727    HB   ILE  92           HB       ILE  92 -21.863  -8.782   6.773
  728   1HG1  ILE  92          1HG1      ILE  92 -20.228  -8.366   4.316
  729   2HG1  ILE  92          2HG1      ILE  92 -21.187  -9.842   4.399
  730   1HG2  ILE  92          1HG2      ILE  92 -20.623  -6.812   6.853
  731   2HG2  ILE  92          2HG2      ILE  92 -19.274  -7.505   5.950
  732   3HG2  ILE  92          3HG2      ILE  92 -19.517  -7.935   7.644
  733   1HD1  ILE  92          1HD1      ILE  92 -22.063  -7.038   4.117
  734   2HD1  ILE  92          2HD1      ILE  92 -22.980  -7.972   5.299
  735   3HD1  ILE  92          3HD1      ILE  92 -22.876  -8.525   3.627
  736    H    LYS  93           H        LYS  93 -19.992 -11.702   4.658
  737    HA   LYS  93           HA       LYS  93 -22.013 -13.671   5.572
  738   1HB   LYS  93          1HB       LYS  93 -23.260 -13.415   3.451
  739   2HB   LYS  93          2HB       LYS  93 -23.207 -11.880   4.317
  740   1HG   LYS  93          1HG       LYS  93 -22.255 -10.926   2.515
  741   2HG   LYS  93          2HG       LYS  93 -20.873 -12.005   2.702
  742   1HD   LYS  93          1HD       LYS  93 -21.575 -12.584   0.563
  743   2HD   LYS  93          2HD       LYS  93 -22.485 -13.748   1.526
  744   1HE   LYS  93          1HE       LYS  93 -23.871 -11.169   1.248
  745   2HE   LYS  93          2HE       LYS  93 -23.609 -11.997  -0.300
  746   1HZ   LYS  93          1HZ       LYS  93 -24.893 -13.068   2.154
  747   2HZ   LYS  93          2HZ       LYS  93 -24.361 -14.073   0.892
  748   3HZ   LYS  93          3HZ       LYS  93 -25.574 -12.919   0.605
  749    HA   PRO  94           HA       PRO  94 -19.300 -16.530   3.634
  750   1HB   PRO  94          1HB       PRO  94 -21.549 -17.948   2.436
  751   2HB   PRO  94          2HB       PRO  94 -20.414 -18.514   3.655
  752   1HG   PRO  94          1HG       PRO  94 -22.986 -17.950   4.214
  753   2HG   PRO  94          2HG       PRO  94 -21.681 -17.717   5.374
  754   1HD   PRO  94          1HD       PRO  94 -23.141 -15.704   3.738
  755   2HD   PRO  94          2HD       PRO  94 -22.521 -15.584   5.397
  756    H    ILE  95           H        ILE  95 -18.150 -16.318   1.742
  757    HA   ILE  95           HA       ILE  95 -19.527 -15.053  -0.574
  758    HB   ILE  95           HB       ILE  95 -16.596 -15.547   0.068
  759   1HG1  ILE  95          1HG1      ILE  95 -18.327 -13.073   0.384
  760   2HG1  ILE  95          2HG1      ILE  95 -17.694 -14.061   1.701
  761   1HG2  ILE  95          1HG2      ILE  95 -17.027 -15.247  -2.338
  762   2HG2  ILE  95          2HG2      ILE  95 -16.208 -13.832  -1.677
  763   3HG2  ILE  95          3HG2      ILE  95 -17.940 -13.776  -1.998
  764   1HD1  ILE  95          1HD1      ILE  95 -16.218 -12.170   1.455
  765   2HD1  ILE  95          2HD1      ILE  95 -16.106 -12.416  -0.288
  766   3HD1  ILE  95          3HD1      ILE  95 -15.371 -13.579   0.816
  767    H    ALA  96           H        ALA  96 -19.187 -15.906  -2.727
  768    HA   ALA  96           HA       ALA  96 -18.787 -18.871  -2.753
  769   1HB   ALA  96          1HB       ALA  96 -20.982 -18.096  -3.437
  770   2HB   ALA  96          2HB       ALA  96 -20.134 -18.605  -4.897
  771   3HB   ALA  96          3HB       ALA  96 -20.273 -16.888  -4.511
  772    H    ILE  97           H        ILE  97 -17.632 -19.792  -4.573
  773    HA   ILE  97           HA       ILE  97 -15.191 -18.501  -5.272
  774    HB   ILE  97           HB       ILE  97 -16.708 -20.732  -6.680
  775   1HG1  ILE  97          1HG1      ILE  97 -14.715 -21.762  -4.972
  776   2HG1  ILE  97          2HG1      ILE  97 -15.571 -20.550  -4.025
  777   1HG2  ILE  97          1HG2      ILE  97 -14.344 -19.489  -7.404
  778   2HG2  ILE  97          2HG2      ILE  97 -14.821 -21.121  -7.872
  779   3HG2  ILE  97          3HG2      ILE  97 -13.786 -20.874  -6.465
  780   1HD1  ILE  97          1HD1      ILE  97 -16.440 -23.111  -4.325
  781   2HD1  ILE  97          2HD1      ILE  97 -17.285 -22.329  -5.660
  782   3HD1  ILE  97          3HD1      ILE  97 -17.516 -21.750  -4.011
  783    H    GLY  98           H        GLY  98 -15.310 -16.546  -6.381
  784   1HA   GLY  98          1HA       GLY  98 -15.306 -15.596  -8.653
  785   2HA   GLY  98          2HA       GLY  98 -16.697 -16.614  -9.025
  786    H    GLU  99           H        GLU  99 -16.388 -14.843  -5.998
  787    HA   GLU  99           HA       GLU  99 -18.819 -13.282  -6.747
  788   1HB   GLU  99          1HB       GLU  99 -18.250 -14.853  -4.619
  789   2HB   GLU  99          2HB       GLU  99 -17.641 -13.321  -4.004
  790   1HG   GLU  99          1HG       GLU  99 -20.398 -13.626  -5.218
  791   2HG   GLU  99          2HG       GLU  99 -20.091 -13.817  -3.492
  792    H    GLU 100           H        GLU 100 -18.840 -10.960  -6.278
  793    HA   GLU 100           HA       GLU 100 -16.199  -9.699  -6.670
  794   1HB   GLU 100          1HB       GLU 100 -18.786  -9.248  -7.540
  795   2HB   GLU 100          2HB       GLU 100 -18.591  -8.015  -6.296
  796   1HG   GLU 100          1HG       GLU 100 -16.225  -8.246  -7.995
  797   2HG   GLU 100          2HG       GLU 100 -17.670  -7.853  -8.925
  798    H    ILE 101           H        ILE 101 -15.014  -9.166  -4.893
  799    HA   ILE 101           HA       ILE 101 -16.366  -8.719  -2.289
  800    HB   ILE 101           HB       ILE 101 -13.468  -9.032  -3.154
  801   1HG1  ILE 101          1HG1      ILE 101 -15.373 -10.883  -1.691
  802   2HG1  ILE 101          2HG1      ILE 101 -14.816 -11.077  -3.353
  803   1HG2  ILE 101          1HG2      ILE 101 -14.570  -7.948  -0.737
  804   2HG2  ILE 101          2HG2      ILE 101 -12.877  -8.252  -1.124
  805   3HG2  ILE 101          3HG2      ILE 101 -13.849  -9.514  -0.368
  806   1HD1  ILE 101          1HD1      ILE 101 -12.899 -12.044  -2.664
  807   2HD1  ILE 101          2HD1      ILE 101 -13.569 -12.067  -1.033
  808   3HD1  ILE 101          3HD1      ILE 101 -12.568 -10.712  -1.557
  809    H    THR 102           H        THR 102 -16.631  -6.714  -1.477
  810    HA   THR 102           HA       THR 102 -14.800  -4.504  -2.180
  811    HB   THR 102           HB       THR 102 -16.822  -3.132  -2.894
  812    HG1  THR 102           HG1      THR 102 -18.445  -4.378  -2.032
  813   1HG2  THR 102          1HG2      THR 102 -16.665  -3.842  -5.121
  814   2HG2  THR 102          2HG2      THR 102 -16.573  -5.545  -4.672
  815   3HG2  THR 102          3HG2      THR 102 -15.182  -4.491  -4.422
  816    H    ILE 103           H        ILE 103 -15.508  -2.487  -0.859
  817    HA   ILE 103           HA       ILE 103 -16.880  -3.347   1.668
  818    HB   ILE 103           HB       ILE 103 -15.163  -2.009   2.837
  819   1HG1  ILE 103          1HG1      ILE 103 -13.205  -1.669   0.837
  820   2HG1  ILE 103          2HG1      ILE 103 -14.707  -1.039   0.162
  821   1HG2  ILE 103          1HG2      ILE 103 -13.377  -3.611   1.151
  822   2HG2  ILE 103          2HG2      ILE 103 -14.823  -4.487   1.652
  823   3HG2  ILE 103          3HG2      ILE 103 -13.751  -3.787   2.865
  824   1HD1  ILE 103          1HD1      ILE 103 -15.029   0.283   2.270
  825   2HD1  ILE 103          2HD1      ILE 103 -13.591   0.754   1.365
  826   3HD1  ILE 103          3HD1      ILE 103 -13.437  -0.256   2.802
  827    H    SER 104           H        SER 104 -17.209  -1.358  -0.899
  828    HA   SER 104           HA       SER 104 -18.389   0.651  -1.265
  829   1HB   SER 104          1HB       SER 104 -20.350   0.694  -0.017
  830   2HB   SER 104          2HB       SER 104 -19.800  -0.926   0.389
  831    HG   SER 104           HG       SER 104 -20.274   1.028   2.041
  832    H    TYR 105           H        TYR 105 -19.162   2.536   0.862
  833    HA   TYR 105           HA       TYR 105 -16.465   3.415   1.822
  834   1HB   TYR 105          1HB       TYR 105 -18.619   5.085   0.474
  835   2HB   TYR 105          2HB       TYR 105 -17.062   5.684   1.045
  836    HD1  TYR 105           HD1      TYR 105 -15.163   3.651   0.254
  837    HD2  TYR 105           HD2      TYR 105 -18.612   5.094  -1.859
  838    HE1  TYR 105           HE1      TYR 105 -14.130   2.972  -1.897
  839    HE2  TYR 105           HE2      TYR 105 -17.580   4.416  -4.009
  840    HH   TYR 105           HH       TYR 105 -15.571   2.416  -4.532
  841    H    GLY 106           H        GLY 106 -19.683   4.984   2.041
  842   1HA   GLY 106          1HA       GLY 106 -20.191   4.171   4.750
  843   2HA   GLY 106          2HA       GLY 106 -19.398   5.745   4.741
  844    H    ASP 107           H        ASP 107 -21.443   6.578   5.646
  845    HA   ASP 107           HA       ASP 107 -23.807   6.563   3.869
  846   1HB   ASP 107          1HB       ASP 107 -23.145   7.667   6.618
  847   2HB   ASP 107          2HB       ASP 107 -24.715   7.904   5.851
  848    H    ASP 108           H        ASP 108 -21.119   8.111   3.386
  849    HA   ASP 108           HA       ASP 108 -22.461  10.688   2.677
  850   1HB   ASP 108          1HB       ASP 108 -20.505  10.218   4.694
  851   2HB   ASP 108          2HB       ASP 108 -19.688  11.068   3.384
  852    H    TYR 109           H        TYR 109 -19.393   8.862   2.306
  853    HA   TYR 109           HA       TYR 109 -18.604  10.020  -0.169
  854   1HB   TYR 109          1HB       TYR 109 -17.704   8.121   1.661
  855   2HB   TYR 109          2HB       TYR 109 -17.963   7.179   0.194
  856    HD1  TYR 109           HD1      TYR 109 -16.828  10.708   0.777
  857    HD2  TYR 109           HD2      TYR 109 -15.927   6.855  -0.895
  858    HE1  TYR 109           HE1      TYR 109 -14.727  11.614  -0.181
  859    HE2  TYR 109           HE2      TYR 109 -13.827   7.761  -1.853
  860    HH   TYR 109           HH       TYR 109 -12.255  10.030  -1.012
  861    H    TRP 110           H        TRP 110 -19.716   9.931  -2.068
  862    HA   TRP 110           HA       TRP 110 -21.040   9.118  -3.835
  863   1HB   TRP 110          1HB       TRP 110 -19.545   6.825  -2.667
  864   2HB   TRP 110          2HB       TRP 110 -20.883   6.405  -3.736
  865    HD1  TRP 110           HD1      TRP 110 -17.735   8.643  -3.726
  866    HE1  TRP 110           HE1      TRP 110 -16.863   8.817  -6.145
  867    HE3  TRP 110           HE3      TRP 110 -21.381   6.030  -6.167
  868    HZ2  TRP 110           HZ2      TRP 110 -17.613   7.961  -8.770
  869    HZ3  TRP 110           HZ3      TRP 110 -21.277   5.725  -8.624
  870    HH2  TRP 110           HH2      TRP 110 -19.400   6.686  -9.928
  871    H    LEU 111           H        LEU 111 -21.686   6.293  -1.792
  872    HA   LEU 111           HA       LEU 111 -24.513   6.457  -2.153
  873   1HB   LEU 111          1HB       LEU 111 -22.711   4.624  -1.283
  874   2HB   LEU 111          2HB       LEU 111 -23.388   5.121   0.263
  875    HG   LEU 111           HG       LEU 111 -25.654   4.621  -0.552
  876   1HD1  LEU 111          1HD1      LEU 111 -24.160   4.230  -3.113
  877   2HD1  LEU 111          2HD1      LEU 111 -25.732   4.981  -2.834
  878   3HD1  LEU 111          3HD1      LEU 111 -25.577   3.223  -2.813
  879   1HD2  LEU 111          1HD2      LEU 111 -25.464   2.208  -0.616
  880   2HD2  LEU 111          2HD2      LEU 111 -24.223   2.823   0.476
  881   3HD2  LEU 111          3HD2      LEU 111 -23.788   2.311  -1.154
  882    H    SER 112           H        SER 112 -25.188   5.977   0.738
  883    HA   SER 112           HA       SER 112 -24.658   8.437   2.190
  884   1HB   SER 112          1HB       SER 112 -26.635   8.345   0.096
  885   2HB   SER 112          2HB       SER 112 -27.454   8.592   1.643
  886    HG   SER 112           HG       SER 112 -25.898  10.287   2.031
  887    H    ARG 113           H        ARG 113 -27.047   5.826   1.651
  888    HA   ARG 113           HA       ARG 113 -27.093   5.406   4.618
  889   1HB   ARG 113          1HB       ARG 113 -29.306   5.744   2.599
  890   2HB   ARG 113          2HB       ARG 113 -29.593   4.792   4.056
  891   1HG   ARG 113          1HG       ARG 113 -28.260   7.407   4.477
  892   2HG   ARG 113          2HG       ARG 113 -29.938   7.485   3.939
  893   1HD   ARG 113          1HD       ARG 113 -29.956   5.484   5.893
  894   2HD   ARG 113          2HD       ARG 113 -28.884   6.733   6.555
  895    HE   ARG 113           HE       ARG 113 -31.746   7.029   6.042
  896   1HH1  ARG 113          1HH1      ARG 113 -28.678   8.661   6.239
  897   2HH1  ARG 113          2HH1      ARG 113 -29.392  10.196   6.591
  898   1HH2  ARG 113          1HH2      ARG 113 -32.651   9.032   6.501
  899   2HH2  ARG 113          2HH2      ARG 113 -31.625  10.407   6.739
  900    HA   PRO 114           HA       PRO 114 -26.365   1.243   3.287
  901   1HB   PRO 114          1HB       PRO 114 -26.623  -0.001   5.705
  902   2HB   PRO 114          2HB       PRO 114 -25.220   1.005   5.301
  903   1HG   PRO 114          1HG       PRO 114 -27.567   1.617   7.008
  904   2HG   PRO 114          2HG       PRO 114 -25.890   2.152   7.161
  905   1HD   PRO 114          1HD       PRO 114 -27.995   3.657   6.125
  906   2HD   PRO 114          2HD       PRO 114 -26.270   4.003   5.904
  907    H    ARG 115           H        ARG 115 -28.580   1.427   2.155
  908    HA   ARG 115           HA       ARG 115 -30.369  -0.656   3.223
  909   1HB   ARG 115          1HB       ARG 115 -32.301   0.867   3.234
  910   2HB   ARG 115          2HB       ARG 115 -31.044   1.453   4.325
  911   1HG   ARG 115          1HG       ARG 115 -30.191   2.852   2.377
  912   2HG   ARG 115          2HG       ARG 115 -31.677   2.413   1.548
  913   1HD   ARG 115          1HD       ARG 115 -31.562   3.776   4.259
  914   2HD   ARG 115          2HD       ARG 115 -31.895   4.607   2.728
  915    HE   ARG 115           HE       ARG 115 -33.747   2.863   4.161
  916   1HH1  ARG 115          1HH1      ARG 115 -32.759   4.052   1.042
  917   2HH1  ARG 115          2HH1      ARG 115 -34.306   3.773   0.323
  918   1HH2  ARG 115          1HH2      ARG 115 -35.748   2.510   3.204
  919   2HH2  ARG 115          2HH2      ARG 115 -35.987   2.907   1.535
  920    H    LEU 116           H        LEU 116 -30.936  -1.895   1.496
  921    HA   LEU 116           HA       LEU 116 -31.109  -0.566  -1.190
  922   1HB   LEU 116          1HB       LEU 116 -29.654  -2.902  -0.140
  923   2HB   LEU 116          2HB       LEU 116 -30.561  -3.256  -1.610
  924    HG   LEU 116           HG       LEU 116 -28.286  -2.471  -2.152
  925   1HD1  LEU 116          1HD1      LEU 116 -29.506  -0.083  -3.110
  926   2HD1  LEU 116          2HD1      LEU 116 -30.752  -1.330  -3.075
  927   3HD1  LEU 116          3HD1      LEU 116 -29.263  -1.597  -3.981
  928   1HD2  LEU 116          1HD2      LEU 116 -28.537  -0.867   0.035
  929   2HD2  LEU 116          2HD2      LEU 116 -28.857   0.294  -1.255
  930   3HD2  LEU 116          3HD2      LEU 116 -27.340  -0.606  -1.234
  931    H    THR 117           H        THR 117 -32.024  -3.728   0.229
  932    HA   THR 117           HA       THR 117 -34.737  -3.373  -0.997
  933    HB   THR 117           HB       THR 117 -33.197  -5.872  -0.194
  934    HG1  THR 117           HG1      THR 117 -32.357  -5.781  -2.104
  935   1HG2  THR 117          1HG2      THR 117 -35.680  -6.098  -0.194
  936   2HG2  THR 117          2HG2      THR 117 -34.920  -7.064  -1.459
  937   3HG2  THR 117          3HG2      THR 117 -35.707  -5.539  -1.867
  938    H    GLN 118           H        GLN 118 -32.975  -4.308   1.933
  939    HA   GLN 118           HA       GLN 118 -35.278  -3.618   3.604
  940   1HB   GLN 118          1HB       GLN 118 -35.172  -6.167   2.506
  941   2HB   GLN 118          2HB       GLN 118 -34.456  -6.401   4.101
  942   1HG   GLN 118          1HG       GLN 118 -36.391  -5.636   5.213
  943   2HG   GLN 118          2HG       GLN 118 -37.019  -4.848   3.765
  944   1HE2  GLN 118          1HE2      GLN 118 -39.026  -6.212   4.272
  945   2HE2  GLN 118          2HE2      GLN 118 -39.063  -7.813   3.710
  946    H    ASN 119           H        ASN 119 -34.348  -5.364   5.789
  947    HA   ASN 119           HA       ASN 119 -31.522  -4.890   6.260
  948   1HB   ASN 119          1HB       ASN 119 -32.850  -2.617   6.370
  949   2HB   ASN 119          2HB       ASN 119 -33.379  -3.213   7.944
  950   1HD2  ASN 119          1HD2      ASN 119 -32.069  -2.300   9.534
  951   2HD2  ASN 119          2HD2      ASN 119 -30.387  -2.105   9.419
  952   1H    GLY 201          1H        GLY 201 -18.287  20.783 -22.628
  953   2H    GLY 201          2H        GLY 201 -17.426  21.737 -23.737
  954   3H    GLY 201          3H        GLY 201 -17.901  22.391 -22.243
  955   1HA   GLY 201          1HA       GLY 201 -15.886  20.262 -22.702
  956   2HA   GLY 201          2HA       GLY 201 -15.586  21.897 -22.114
  957    H    LYS 202           H        LYS 202 -17.096  22.426 -20.109
  958    HA   LYS 202           HA       LYS 202 -17.452  21.975 -17.817
  959   1HB   LYS 202          1HB       LYS 202 -18.776  20.106 -19.499
  960   2HB   LYS 202          2HB       LYS 202 -18.132  19.181 -18.142
  961   1HG   LYS 202          1HG       LYS 202 -19.313  20.478 -16.551
  962   2HG   LYS 202          2HG       LYS 202 -19.618  21.773 -17.709
  963   1HD   LYS 202          1HD       LYS 202 -20.671  19.119 -18.488
  964   2HD   LYS 202          2HD       LYS 202 -21.441  19.844 -17.077
  965   1HE   LYS 202          1HE       LYS 202 -21.088  21.882 -19.081
  966   2HE   LYS 202          2HE       LYS 202 -21.909  20.487 -19.807
  967   1HZ   LYS 202          1HZ       LYS 202 -22.634  21.824 -17.247
  968   2HZ   LYS 202          2HZ       LYS 202 -23.388  20.434 -17.867
  969   3HZ   LYS 202          3HZ       LYS 202 -23.512  21.910 -18.698
  970    H    ALA 203           H        ALA 203 -17.017  19.804 -16.223
  971    HA   ALA 203           HA       ALA 203 -14.642  18.290 -16.737
  972   1HB   ALA 203          1HB       ALA 203 -13.092  19.928 -16.497
  973   2HB   ALA 203          2HB       ALA 203 -13.571  20.044 -14.803
  974   3HB   ALA 203          3HB       ALA 203 -14.327  21.088 -16.007
  975    HA   PRO 204           HA       PRO 204 -15.521  18.115 -12.036
  976   1HB   PRO 204          1HB       PRO 204 -17.470  19.829 -11.062
  977   2HB   PRO 204          2HB       PRO 204 -15.733  20.179 -11.023
  978   1HG   PRO 204          1HG       PRO 204 -17.825  21.149 -12.896
  979   2HG   PRO 204          2HG       PRO 204 -16.412  21.992 -12.248
  980   1HD   PRO 204          1HD       PRO 204 -16.533  20.983 -14.772
  981   2HD   PRO 204          2HD       PRO 204 -15.019  21.156 -13.863
  982    H    ARG 205           H        ARG 205 -18.093  18.830 -14.300
  983    HA   ARG 205           HA       ARG 205 -20.116  17.716 -14.765
  984   1HB   ARG 205          1HB       ARG 205 -18.219  15.739 -13.596
  985   2HB   ARG 205          2HB       ARG 205 -19.908  15.239 -13.666
  986   1HG   ARG 205          1HG       ARG 205 -19.250  16.516 -16.142
  987   2HG   ARG 205          2HG       ARG 205 -18.008  15.314 -15.795
  988   1HD   ARG 205          1HD       ARG 205 -19.515  13.836 -16.692
  989   2HD   ARG 205          2HD       ARG 205 -20.322  13.963 -15.117
  990    HE   ARG 205           HE       ARG 205 -21.093  16.181 -16.765
  991   1HH1  ARG 205          1HH1      ARG 205 -21.539  12.745 -16.433
  992   2HH1  ARG 205          2HH1      ARG 205 -23.106  12.767 -17.165
  993   1HH2  ARG 205          1HH2      ARG 205 -23.128  16.184 -17.711
  994   2HH2  ARG 205          2HH2      ARG 205 -24.001  14.698 -17.884
  995    H    LYS 206           H        LYS 206 -19.637  15.973 -11.717
  996    HA   LYS 206           HA       LYS 206 -21.482  17.756 -10.262
  997   1HB   LYS 206          1HB       LYS 206 -22.191  15.126 -11.504
  998   2HB   LYS 206          2HB       LYS 206 -22.875  15.482  -9.918
  999   1HG   LYS 206          1HG       LYS 206 -23.261  17.859 -11.248
 1000   2HG   LYS 206          2HG       LYS 206 -23.488  16.679 -12.539
 1001   1HD   LYS 206          1HD       LYS 206 -24.886  16.603  -9.847
 1002   2HD   LYS 206          2HD       LYS 206 -25.614  17.170 -11.350
 1003   1HE   LYS 206          1HE       LYS 206 -24.459  14.608 -11.876
 1004   2HE   LYS 206          2HE       LYS 206 -25.432  14.474 -10.398
 1005   1HZ   LYS 206          1HZ       LYS 206 -26.702  14.254 -12.547
 1006   2HZ   LYS 206          2HZ       LYS 206 -26.364  15.893 -12.836
 1007   3HZ   LYS 206          3HZ       LYS 206 -27.285  15.441 -11.482
 1008    H    GLN 207           H        GLN 207 -20.465  14.317 -10.090
 1009    HA   GLN 207           HA       GLN 207 -19.359  14.904  -7.362
 1010   1HB   GLN 207          1HB       GLN 207 -21.495  13.343  -8.013
 1011   2HB   GLN 207          2HB       GLN 207 -20.199  12.153  -8.126
 1012   1HG   GLN 207          1HG       GLN 207 -20.535  11.956  -5.878
 1013   2HG   GLN 207          2HG       GLN 207 -19.524  13.399  -5.802
 1014   1HE2  GLN 207          1HE2      GLN 207 -22.996  12.476  -6.171
 1015   2HE2  GLN 207          2HE2      GLN 207 -23.593  13.816  -5.318
 1016    H    LEU 208           H        LEU 208 -17.705  15.209  -9.627
 1017    HA   LEU 208           HA       LEU 208 -16.225  12.709 -10.089
 1018   1HB   LEU 208          1HB       LEU 208 -16.275  15.532 -11.048
 1019   2HB   LEU 208          2HB       LEU 208 -14.731  14.692 -11.185
 1020    HG   LEU 208           HG       LEU 208 -16.094  14.396 -13.228
 1021   1HD1  LEU 208          1HD1      LEU 208 -14.739  12.455 -11.829
 1022   2HD1  LEU 208          2HD1      LEU 208 -15.367  12.255 -13.465
 1023   3HD1  LEU 208          3HD1      LEU 208 -16.307  11.688 -12.085
 1024   1HD2  LEU 208          1HD2      LEU 208 -18.265  14.482 -11.733
 1025   2HD2  LEU 208          2HD2      LEU 208 -18.033  12.736 -11.648
 1026   3HD2  LEU 208          3HD2      LEU 208 -18.255  13.520 -13.212
 1027    H    ALA 209           H        ALA 209 -15.379  15.919  -8.717
 1028    HA   ALA 209           HA       ALA 209 -13.073  14.646  -7.318
 1029   1HB   ALA 209          1HB       ALA 209 -12.300  16.966  -7.123
 1030   2HB   ALA 209          2HB       ALA 209 -13.862  17.559  -7.689
 1031   3HB   ALA 209          3HB       ALA 209 -12.806  16.669  -8.787
 1032    H    THR 210           H        THR 210 -14.275  13.661  -5.565
 1033    HA   THR 210           HA       THR 210 -16.062  15.269  -3.897
 1034    HB   THR 210           HB       THR 210 -15.743  13.085  -2.470
 1035    HG1  THR 210           HG1      THR 210 -14.706  11.474  -3.476
 1036   1HG2  THR 210          1HG2      THR 210 -17.750  12.877  -3.499
 1037   2HG2  THR 210          2HG2      THR 210 -16.898  11.903  -4.697
 1038   3HG2  THR 210          3HG2      THR 210 -17.154  13.624  -4.982
 1039    H    LYS 211           H        LYS 211 -15.015  16.922  -2.789
 1040    HA   LYS 211           HA       LYS 211 -12.371  16.422  -1.546
 1041   1HB   LYS 211          1HB       LYS 211 -13.873  18.621  -2.615
 1042   2HB   LYS 211          2HB       LYS 211 -13.505  18.981  -0.928
 1043   1HG   LYS 211          1HG       LYS 211 -11.196  18.898  -1.278
 1044   2HG   LYS 211          2HG       LYS 211 -11.350  17.885  -2.713
 1045   1HD   LYS 211          1HD       LYS 211 -12.760  20.336  -3.181
 1046   2HD   LYS 211          2HD       LYS 211 -11.145  20.727  -2.589
 1047   1HE   LYS 211          1HE       LYS 211 -10.481  18.782  -4.336
 1048   2HE   LYS 211          2HE       LYS 211 -11.955  19.378  -5.123
 1049   1HZ   LYS 211          1HZ       LYS 211 -11.112  21.628  -4.946
 1050   2HZ   LYS 211          2HZ       LYS 211  -9.983  20.667  -5.775
 1051   3HZ   LYS 211          3HZ       LYS 211  -9.715  21.081  -4.149
 1052    H    ALA 212           H        ALA 212 -15.399  17.947  -0.370
 1053    HA   ALA 212           HA       ALA 212 -14.819  17.556   2.402
 1054   1HB   ALA 212          1HB       ALA 212 -17.422  17.877   2.463
 1055   2HB   ALA 212          2HB       ALA 212 -17.270  18.089   0.719
 1056   3HB   ALA 212          3HB       ALA 212 -16.431  19.184   1.818
 1057    H    ALA 213           H        ALA 213 -15.826  16.024   3.883
 1058    HA   ALA 213           HA       ALA 213 -16.501  13.869   4.563
 1059   1HB   ALA 213          1HB       ALA 213 -18.463  13.229   3.545
 1060   2HB   ALA 213          2HB       ALA 213 -17.769  13.330   1.927
 1061   3HB   ALA 213          3HB       ALA 213 -18.309  14.794   2.747
 1062    H    ARG 214           H        ARG 214 -15.810  11.680   4.332
 1063    HA   ARG 214           HA       ARG 214 -14.188  11.011   1.919
 1064   1HB   ARG 214          1HB       ARG 214 -13.337  11.350   4.775
 1065   2HB   ARG 214          2HB       ARG 214 -12.554  10.087   3.826
 1066   1HG   ARG 214          1HG       ARG 214 -11.914  11.727   2.122
 1067   2HG   ARG 214          2HG       ARG 214 -12.761  13.000   3.002
 1068   1HD   ARG 214          1HD       ARG 214 -11.241  12.543   4.972
 1069   2HD   ARG 214          2HD       ARG 214 -10.313  11.456   3.922
 1070    HE   ARG 214           HE       ARG 214  -9.471  13.366   2.806
 1071   1HH1  ARG 214          1HH1      ARG 214 -12.355  14.151   4.591
 1072   2HH1  ARG 214          2HH1      ARG 214 -12.237  15.843   4.252
 1073   1HH2  ARG 214          1HH2      ARG 214  -9.339  15.566   2.379
 1074   2HH2  ARG 214          2HH2      ARG 214 -10.543  16.640   3.009
 1075   1HN   MLZ 215          1HN       MLZ 215 -13.192   8.578   2.776
 1076    HA   MLZ 215           HA       MLZ 215 -15.399   6.799   2.519
 1077   1HB   MLZ 215          1HB       MLZ 215 -12.518   6.755   2.884
 1078   2HB   MLZ 215          2HB       MLZ 215 -13.271   5.472   3.832
 1079   1HG   MLZ 215          1HG       MLZ 215 -14.635   5.405   1.397
 1080   2HG   MLZ 215          2HG       MLZ 215 -13.379   4.281   1.915
 1081   1HD   MLZ 215          1HD       MLZ 215 -12.812   6.909   0.516
 1082   2HD   MLZ 215          2HD       MLZ 215 -11.657   5.626   0.874
 1083   1HE   MLZ 215          1HE       MLZ 215 -13.913   5.607  -1.142
 1084   2HE   MLZ 215          2HE       MLZ 215 -13.179   4.101  -0.559
 1085    HZ   MLZ 215           HZ       MLZ 215 -11.036   4.857  -1.220
 1086   1HCM  MLZ 215          1HCM      MLZ 215 -11.337   5.223  -3.626
 1087   2HCM  MLZ 215          2HCM      MLZ 215 -13.055   5.450  -3.319
 1088   3HCM  MLZ 215          3HCM      MLZ 215 -12.302   3.893  -2.997
 1089    H    SER 216           H        SER 216 -16.915   6.252   4.024
 1090    HA   SER 216           HA       SER 216 -17.905   5.789   6.118
 1091   1HB   SER 216          1HB       SER 216 -17.314   8.359   5.945
 1092   2HB   SER 216          2HB       SER 216 -17.847   7.694   7.489
 1093    HG   SER 216           HG       SER 216 -15.774   7.646   8.197
 1094    H    ALA 217           H        ALA 217 -17.164   5.623   8.639
 1095    HA   ALA 217           HA       ALA 217 -14.539   4.172   8.695
 1096   1HB   ALA 217          1HB       ALA 217 -14.185   5.710  10.339
 1097   2HB   ALA 217          2HB       ALA 217 -15.313   4.761  11.307
 1098   3HB   ALA 217          3HB       ALA 217 -15.892   6.152  10.390
 1099    HA   PRO 218           HA       PRO 218 -16.568   0.469   9.876
 1100   1HB   PRO 218          1HB       PRO 218 -15.100  -0.373  12.080
 1101   2HB   PRO 218          2HB       PRO 218 -14.587  -0.583  10.398
 1102   1HG   PRO 218          1HG       PRO 218 -13.727   1.421  12.403
 1103   2HG   PRO 218          2HG       PRO 218 -12.806   0.657  11.107
 1104   1HD   PRO 218          1HD       PRO 218 -13.764   3.214  11.013
 1105   2HD   PRO 218          2HD       PRO 218 -13.449   2.217   9.583
 1106    H    ALA 219           H        ALA 219 -15.533   1.585  13.110
 1107    HA   ALA 219           HA       ALA 219 -18.403   1.983  13.842
 1108   1HB   ALA 219          1HB       ALA 219 -16.658  -0.193  14.542
 1109   2HB   ALA 219          2HB       ALA 219 -18.328   0.066  15.048
 1110   3HB   ALA 219          3HB       ALA 219 -17.004   0.735  16.002
 1111    H    THR 220           H        THR 220 -18.338   4.155  14.373
 1112    HA   THR 220           HA       THR 220 -16.923   5.023  16.736
 1113    HB   THR 220           HB       THR 220 -15.042   4.840  15.136
 1114    HG1  THR 220           HG1      THR 220 -14.781   6.496  16.535
 1115   1HG2  THR 220          1HG2      THR 220 -15.062   5.770  13.018
 1116   2HG2  THR 220          2HG2      THR 220 -16.176   7.057  13.481
 1117   3HG2  THR 220          3HG2      THR 220 -16.782   5.425  13.199
 1118    H    GLY 221           H        GLY 221 -19.618   5.192  15.657
 1119   1HA   GLY 221          1HA       GLY 221 -19.954   8.024  14.876
 1120   2HA   GLY 221          2HA       GLY 221 -21.235   6.813  14.944
 1121   1H    MET   1          1H        MET   1   2.767  -7.288   5.345
 1122   2H    MET   1          2H        MET   1   2.787  -8.614   4.283
 1123   3H    MET   1          3H        MET   1   4.112  -8.324   5.304
 1124    HA   MET   1           HA       MET   1   2.424  -8.598   7.216
 1125   1HB   MET   1          1HB       MET   1   1.071  -9.775   4.767
 1126   2HB   MET   1          2HB       MET   1   0.552 -10.114   6.416
 1127   1HG   MET   1          1HG       MET   1   0.819  -7.302   5.348
 1128   2HG   MET   1          2HG       MET   1  -0.682  -8.219   5.232
 1129   1HE   MET   1          1HE       MET   1   1.600  -6.135   8.077
 1130   2HE   MET   1          2HE       MET   1   0.040  -5.315   8.001
 1131   3HE   MET   1          3HE       MET   1   0.887  -5.740   6.513
 1132    H    PHE   2           H        PHE   2   1.726 -11.308   7.393
 1133    HA   PHE   2           HA       PHE   2   4.406 -12.556   7.277
 1134   1HB   PHE   2          1HB       PHE   2   3.233 -14.321   8.640
 1135   2HB   PHE   2          2HB       PHE   2   3.133 -12.711   9.345
 1136    HD1  PHE   2           HD1      PHE   2   1.266 -15.228   7.333
 1137    HD2  PHE   2           HD2      PHE   2   1.036 -11.639   9.682
 1138    HE1  PHE   2           HE1      PHE   2  -1.209 -15.380   7.324
 1139    HE2  PHE   2           HE2      PHE   2  -1.439 -11.792   9.673
 1140    HZ   PHE   2           HZ       PHE   2  -2.561 -13.662   8.493
 1141    H    ASN   3           H        ASN   3   4.951 -14.127   5.827
 1142    HA   ASN   3           HA       ASN   3   2.847 -15.603   4.352
 1143   1HB   ASN   3          1HB       ASN   3   3.989 -13.233   3.384
 1144   2HB   ASN   3          2HB       ASN   3   4.876 -14.509   2.550
 1145   1HD2  ASN   3          1HD2      ASN   3   3.039 -16.460   2.052
 1146   2HD2  ASN   3          2HD2      ASN   3   1.719 -15.864   1.165
 1147    H    ASP   4           H        ASP   4   3.593 -17.635   3.720
 1148    HA   ASP   4           HA       ASP   4   5.759 -18.892   4.925
 1149   1HB   ASP   4          1HB       ASP   4   3.766 -19.718   3.440
 1150   2HB   ASP   4          2HB       ASP   4   4.905 -19.545   2.104
 1151    H    ARG   5           H        ARG   5   5.762 -17.362   1.683
 1152    HA   ARG   5           HA       ARG   5   8.568 -17.941   1.201
 1153   1HB   ARG   5          1HB       ARG   5   6.491 -16.098  -0.025
 1154   2HB   ARG   5          2HB       ARG   5   8.115 -16.279  -0.690
 1155   1HG   ARG   5          1HG       ARG   5   7.231 -18.903  -0.291
 1156   2HG   ARG   5          2HG       ARG   5   5.819 -18.057  -0.923
 1157   1HD   ARG   5          1HD       ARG   5   8.487 -17.611  -2.240
 1158   2HD   ARG   5          2HD       ARG   5   7.569 -19.082  -2.612
 1159    HE   ARG   5           HE       ARG   5   6.858 -16.401  -3.446
 1160   1HH1  ARG   5          1HH1      ARG   5   5.549 -19.431  -2.341
 1161   2HH1  ARG   5          2HH1      ARG   5   4.029 -19.188  -3.129
 1162   1HH2  ARG   5          1HH2      ARG   5   4.877 -16.108  -4.460
 1163   2HH2  ARG   5          2HH2      ARG   5   3.649 -17.322  -4.321
 1164    H    VAL   6           H        VAL   6   6.768 -15.181   2.511
 1165    HA   VAL   6           HA       VAL   6   9.305 -14.051   3.537
 1166    HB   VAL   6           HB       VAL   6   7.424 -12.622   1.620
 1167   1HG1  VAL   6          1HG1      VAL   6   9.503 -11.673   3.512
 1168   2HG1  VAL   6          2HG1      VAL   6   8.110 -10.819   2.848
 1169   3HG1  VAL   6          3HG1      VAL   6   9.579 -10.992   1.887
 1170   1HG2  VAL   6          1HG2      VAL   6  10.249 -13.677   1.392
 1171   2HG2  VAL   6          2HG2      VAL   6   9.609 -12.459   0.289
 1172   3HG2  VAL   6          3HG2      VAL   6   8.863 -14.055   0.369
 1173    H    ILE   7           H        ILE   7   8.932 -13.131   5.524
 1174    HA   ILE   7           HA       ILE   7   6.078 -12.620   6.286
 1175    HB   ILE   7           HB       ILE   7   7.091 -14.530   7.418
 1176   1HG1  ILE   7          1HG1      ILE   7   7.166 -12.174   9.322
 1177   2HG1  ILE   7          2HG1      ILE   7   5.672 -12.910   8.742
 1178   1HG2  ILE   7          1HG2      ILE   7   9.371 -12.616   7.707
 1179   2HG2  ILE   7          2HG2      ILE   7   9.393 -14.334   7.309
 1180   3HG2  ILE   7          3HG2      ILE   7   9.132 -13.817   8.975
 1181   1HD1  ILE   7          1HD1      ILE   7   5.849 -14.412  10.411
 1182   2HD1  ILE   7          2HD1      ILE   7   7.450 -13.812  10.844
 1183   3HD1  ILE   7          3HD1      ILE   7   7.279 -15.056   9.605
 1184    H    VAL   8           H        VAL   8   5.708 -10.813   7.739
 1185    HA   VAL   8           HA       VAL   8   7.546  -8.561   7.234
 1186    HB   VAL   8           HB       VAL   8   5.052  -8.445   6.993
 1187   1HG1  VAL   8          1HG1      VAL   8   4.933  -9.909   9.264
 1188   2HG1  VAL   8          2HG1      VAL   8   3.602  -8.893   8.715
 1189   3HG1  VAL   8          3HG1      VAL   8   4.716  -8.297   9.944
 1190   1HG2  VAL   8          1HG2      VAL   8   6.591  -6.681   8.864
 1191   2HG2  VAL   8          2HG2      VAL   8   4.857  -6.406   8.682
 1192   3HG2  VAL   8          3HG2      VAL   8   5.916  -6.311   7.275
 1193    H    LYS   9           H        LYS   9   9.108  -8.020   8.679
 1194    HA   LYS   9           HA       LYS   9   8.577  -8.282  11.569
 1195   1HB   LYS   9          1HB       LYS   9  10.625  -9.783   9.970
 1196   2HB   LYS   9          2HB       LYS   9  10.893  -9.466  11.684
 1197   1HG   LYS   9          1HG       LYS   9   8.639 -10.492  12.145
 1198   2HG   LYS   9          2HG       LYS   9   8.553 -10.946  10.444
 1199   1HD   LYS   9          1HD       LYS   9  10.261 -12.515  10.639
 1200   2HD   LYS   9          2HD       LYS   9  10.976 -11.714  12.039
 1201   1HE   LYS   9          1HE       LYS   9   9.555 -12.764  13.521
 1202   2HE   LYS   9          2HE       LYS   9   8.201 -12.766  12.374
 1203   1HZ   LYS   9          1HZ       LYS   9   9.129 -14.998  12.649
 1204   2HZ   LYS   9          2HZ       LYS   9  10.658 -14.436  12.166
 1205   3HZ   LYS   9          3HZ       LYS   9   9.365 -14.436  11.064
 1206    H    LYS  10           H        LYS  10  10.629  -5.340  11.730
 1207    HA   LYS  10           HA       LYS  10   9.039  -5.301  13.422
 1208   1HB   LYS  10          1HB       LYS  10   7.808  -6.071  11.013
 1209   2HB   LYS  10          2HB       LYS  10   7.153  -7.160  12.236
 1210   1HG   LYS  10          1HG       LYS  10   7.218  -4.131  12.403
 1211   2HG   LYS  10          2HG       LYS  10   5.791  -5.122  12.102
 1212   1HD   LYS  10          1HD       LYS  10   7.504  -5.331  14.596
 1213   2HD   LYS  10          2HD       LYS  10   6.013  -4.395  14.497
 1214   1HE   LYS  10          1HE       LYS  10   5.661  -7.116  13.478
 1215   2HE   LYS  10          2HE       LYS  10   6.179  -7.091  15.174
 1216   1HZ   LYS  10          1HZ       LYS  10   4.463  -5.478  15.656
 1217   2HZ   LYS  10          2HZ       LYS  10   3.752  -6.842  14.936
 1218   3HZ   LYS  10          3HZ       LYS  10   3.993  -5.429  14.025
 1219    H    SER  11           H        SER  11  10.847  -6.724  14.468
 1220    HA   SER  11           HA       SER  11   9.497  -8.871  15.872
 1221   1HB   SER  11          1HB       SER  11  11.330  -9.411  13.587
 1222   2HB   SER  11          2HB       SER  11  11.501 -10.454  15.000
 1223    HG   SER  11           HG       SER  11   9.263 -10.874  14.862
 1224    HA   PRO  12           HA       PRO  12  13.890  -8.503  17.658
 1225   1HB   PRO  12          1HB       PRO  12  15.768  -7.067  16.261
 1226   2HB   PRO  12          2HB       PRO  12  15.482  -8.797  15.982
 1227   1HG   PRO  12          1HG       PRO  12  14.439  -6.434  14.467
 1228   2HG   PRO  12          2HG       PRO  12  15.125  -7.943  13.848
 1229   1HD   PRO  12          1HD       PRO  12  12.489  -7.501  13.931
 1230   2HD   PRO  12          2HD       PRO  12  13.180  -9.115  14.195
 1231    H    LEU  13           H        LEU  13  11.836  -6.692  18.133
 1232    HA   LEU  13           HA       LEU  13  11.342  -4.527  18.948
 1233   1HB   LEU  13          1HB       LEU  13  13.644  -5.694  20.086
 1234   2HB   LEU  13          2HB       LEU  13  14.068  -4.003  19.815
 1235    HG   LEU  13           HG       LEU  13  11.560  -3.714  20.819
 1236   1HD1  LEU  13          1HD1      LEU  13  10.875  -5.441  22.114
 1237   2HD1  LEU  13          2HD1      LEU  13  12.489  -5.683  22.782
 1238   3HD1  LEU  13          3HD1      LEU  13  12.058  -6.410  21.235
 1239   1HD2  LEU  13          1HD2      LEU  13  12.618  -2.896  22.764
 1240   2HD2  LEU  13          2HD2      LEU  13  13.870  -2.767  21.528
 1241   3HD2  LEU  13          3HD2      LEU  13  13.902  -4.102  22.679
 1242    H    GLY  14           H        GLY  14  12.502  -4.712  16.126
 1243   1HA   GLY  14          1HA       GLY  14  13.947  -2.124  15.955
 1244   2HA   GLY  14          2HA       GLY  14  13.800  -3.303  14.652
 1245    H    GLY  15           H        GLY  15  12.686  -2.301  13.036
 1246   1HA   GLY  15          1HA       GLY  15  10.175  -0.859  13.795
 1247   2HA   GLY  15          2HA       GLY  15  11.217  -0.315  12.480
 1248    H    TYR  16           H        TYR  16  10.887  -1.192  10.457
 1249    HA   TYR  16           HA       TYR  16   9.197  -3.649  10.246
 1250   1HB   TYR  16          1HB       TYR  16   8.559  -0.873   9.617
 1251   2HB   TYR  16          2HB       TYR  16   8.405  -1.898   8.191
 1252    HD1  TYR  16           HD1      TYR  16   7.257  -1.379  11.677
 1253    HD2  TYR  16           HD2      TYR  16   6.692  -3.580   8.032
 1254    HE1  TYR  16           HE1      TYR  16   5.105  -2.257  12.541
 1255    HE2  TYR  16           HE2      TYR  16   4.540  -4.458   8.896
 1256    HH   TYR  16           HH       TYR  16   3.683  -4.603  11.882
 1257    H    GLY  17           H        GLY  17  10.596  -5.018   9.187
 1258   1HA   GLY  17          1HA       GLY  17  11.803  -4.026   6.642
 1259   2HA   GLY  17          2HA       GLY  17  12.779  -4.968   7.772
 1260    H    VAL  18           H        VAL  18  12.565  -6.118   5.339
 1261    HA   VAL  18           HA       VAL  18  10.233  -7.970   5.400
 1262    HB   VAL  18           HB       VAL  18  12.442  -7.395   3.391
 1263   1HG1  VAL  18          1HG1      VAL  18  11.162  -8.816   1.845
 1264   2HG1  VAL  18          2HG1      VAL  18   9.992  -9.167   3.118
 1265   3HG1  VAL  18          3HG1      VAL  18  11.651  -9.748   3.260
 1266   1HG2  VAL  18          1HG2      VAL  18   9.593  -6.524   3.748
 1267   2HG2  VAL  18          2HG2      VAL  18  10.259  -6.649   2.120
 1268   3HG2  VAL  18          3HG2      VAL  18  11.003  -5.566   3.297
 1269    H    PHE  19           H        PHE  19  10.544  -9.854   6.534
 1270    HA   PHE  19           HA       PHE  19  13.285 -10.842   7.032
 1271   1HB   PHE  19          1HB       PHE  19  10.612 -11.042   8.179
 1272   2HB   PHE  19          2HB       PHE  19  11.370 -12.630   8.049
 1273    HD1  PHE  19           HD1      PHE  19  12.810  -9.224   8.667
 1274    HD2  PHE  19           HD2      PHE  19  12.204 -13.204  10.163
 1275    HE1  PHE  19           HE1      PHE  19  14.223  -8.699  10.636
 1276    HE2  PHE  19           HE2      PHE  19  13.618 -12.680  12.132
 1277    HZ   PHE  19           HZ       PHE  19  14.627 -10.426  12.369
 1278    H    ALA  20           H        ALA  20  14.208 -12.393   5.770
 1279    HA   ALA  20           HA       ALA  20  12.591 -13.671   3.654
 1280   1HB   ALA  20          1HB       ALA  20  15.325 -14.514   3.704
 1281   2HB   ALA  20          2HB       ALA  20  15.291 -12.797   4.102
 1282   3HB   ALA  20          3HB       ALA  20  14.569 -13.368   2.599
 1283    H    ARG  21           H        ARG  21  11.362 -15.178   5.007
 1284    HA   ARG  21           HA       ARG  21  12.506 -17.095   6.786
 1285   1HB   ARG  21          1HB       ARG  21  10.058 -16.427   6.282
 1286   2HB   ARG  21          2HB       ARG  21  10.163 -17.548   4.926
 1287   1HG   ARG  21          1HG       ARG  21  10.249 -19.402   6.289
 1288   2HG   ARG  21          2HG       ARG  21  11.088 -18.542   7.580
 1289   1HD   ARG  21          1HD       ARG  21   9.068 -18.463   8.633
 1290   2HD   ARG  21          2HD       ARG  21   8.602 -17.261   7.414
 1291    HE   ARG  21           HE       ARG  21   7.360 -18.948   6.305
 1292   1HH1  ARG  21          1HH1      ARG  21   9.590 -20.338   8.589
 1293   2HH1  ARG  21          2HH1      ARG  21   8.969 -21.940   8.387
 1294   1HH2  ARG  21          1HH2      ARG  21   6.572 -21.037   6.061
 1295   2HH2  ARG  21          2HH2      ARG  21   7.274 -22.335   6.968
 1296    H    LYS  22           H        LYS  22  12.606 -16.799   3.331
 1297    HA   LYS  22           HA       LYS  22  13.599 -19.601   3.012
 1298   1HB   LYS  22          1HB       LYS  22  12.727 -17.473   1.012
 1299   2HB   LYS  22          2HB       LYS  22  13.093 -19.151   0.626
 1300   1HG   LYS  22          1HG       LYS  22  11.160 -18.967   2.787
 1301   2HG   LYS  22          2HG       LYS  22  10.592 -18.138   1.337
 1302   1HD   LYS  22          1HD       LYS  22  11.409 -20.278   0.087
 1303   2HD   LYS  22          2HD       LYS  22  11.355 -21.032   1.679
 1304   1HE   LYS  22          1HE       LYS  22   9.029 -19.613   0.327
 1305   2HE   LYS  22          2HE       LYS  22   9.206 -21.368   0.510
 1306   1HZ   LYS  22          1HZ       LYS  22   9.503 -20.911   2.953
 1307   2HZ   LYS  22          2HZ       LYS  22   7.937 -20.637   2.354
 1308   3HZ   LYS  22          3HZ       LYS  22   8.974 -19.325   2.652
 1309    H    SER  23           H        SER  23  16.707 -18.362   1.411
 1310    HA   SER  23           HA       SER  23  14.482 -20.356   1.273
 1311   1HB   SER  23          1HB       SER  23  16.752 -21.103   1.957
 1312   2HB   SER  23          2HB       SER  23  16.295 -21.816   0.410
 1313    HG   SER  23           HG       SER  23  18.188 -19.863   0.993
 1314    H    PHE  24           H        PHE  24  16.305 -17.996  -0.552
 1315    HA   PHE  24           HA       PHE  24  14.692 -18.700  -2.980
 1316   1HB   PHE  24          1HB       PHE  24  15.709 -16.092  -1.807
 1317   2HB   PHE  24          2HB       PHE  24  15.031 -16.198  -3.431
 1318    HD1  PHE  24           HD1      PHE  24  12.846 -18.118  -3.125
 1319    HD2  PHE  24           HD2      PHE  24  14.123 -14.975  -0.491
 1320    HE1  PHE  24           HE1      PHE  24  10.558 -17.980  -2.179
 1321    HE2  PHE  24           HE2      PHE  24  11.836 -14.836   0.455
 1322    HZ   PHE  24           HZ       PHE  24  10.053 -16.339  -0.389
 1323    H    GLU  25           H        GLU  25  15.755 -18.366  -5.048
 1324    HA   GLU  25           HA       GLU  25  18.707 -18.758  -4.903
 1325   1HB   GLU  25          1HB       GLU  25  16.817 -20.187  -6.144
 1326   2HB   GLU  25          2HB       GLU  25  17.062 -18.977  -7.403
 1327   1HG   GLU  25          1HG       GLU  25  19.650 -19.658  -6.627
 1328   2HG   GLU  25          2HG       GLU  25  18.787 -21.196  -6.606
 1329    H    LYS  26           H        LYS  26  19.998 -17.615  -6.618
 1330    HA   LYS  26           HA       LYS  26  19.584 -14.790  -6.583
 1331   1HB   LYS  26          1HB       LYS  26  21.724 -16.094  -6.915
 1332   2HB   LYS  26          2HB       LYS  26  21.176 -16.476  -8.545
 1333   1HG   LYS  26          1HG       LYS  26  20.917 -13.942  -8.878
 1334   2HG   LYS  26          2HG       LYS  26  21.858 -13.770  -7.397
 1335   1HD   LYS  26          1HD       LYS  26  23.675 -15.115  -8.400
 1336   2HD   LYS  26          2HD       LYS  26  22.738 -15.260  -9.887
 1337   1HE   LYS  26          1HE       LYS  26  23.182 -13.093 -10.526
 1338   2HE   LYS  26          2HE       LYS  26  23.158 -12.492  -8.857
 1339   1HZ   LYS  26          1HZ       LYS  26  25.255 -14.333  -9.865
 1340   2HZ   LYS  26          2HZ       LYS  26  25.275 -13.406  -8.442
 1341   3HZ   LYS  26          3HZ       LYS  26  25.422 -12.645  -9.953
 1342    H    GLY  27           H        GLY  27  17.337 -14.566  -7.365
 1343   1HA   GLY  27          1HA       GLY  27  16.635 -13.468  -9.602
 1344   2HA   GLY  27          2HA       GLY  27  17.035 -15.038 -10.299
 1345    H    GLU  28           H        GLU  28  15.361 -14.270  -7.239
 1346    HA   GLU  28           HA       GLU  28  13.021 -15.841  -8.274
 1347   1HB   GLU  28          1HB       GLU  28  14.582 -15.785  -5.732
 1348   2HB   GLU  28          2HB       GLU  28  12.842 -16.027  -5.577
 1349   1HG   GLU  28          1HG       GLU  28  13.276 -17.759  -7.559
 1350   2HG   GLU  28          2HG       GLU  28  14.896 -17.777  -6.863
 1351    H    LEU  29           H        LEU  29  11.410 -14.383  -8.732
 1352    HA   LEU  29           HA       LEU  29  11.161 -11.737  -7.814
 1353   1HB   LEU  29          1HB       LEU  29   9.937 -13.067  -9.663
 1354   2HB   LEU  29          2HB       LEU  29   8.852 -13.620  -8.390
 1355    HG   LEU  29           HG       LEU  29   7.997 -11.611  -9.624
 1356   1HD1  LEU  29          1HD1      LEU  29   8.557 -10.620  -6.873
 1357   2HD1  LEU  29          2HD1      LEU  29   7.760 -12.188  -7.012
 1358   3HD1  LEU  29          3HD1      LEU  29   7.022 -10.756  -7.730
 1359   1HD2  LEU  29          1HD2      LEU  29   9.726  -9.716  -8.239
 1360   2HD2  LEU  29          2HD2      LEU  29   9.261  -9.771  -9.939
 1361   3HD2  LEU  29          3HD2      LEU  29  10.629 -10.725  -9.368
 1362    H    VAL  30           H        VAL  30  11.004 -11.085  -5.713
 1363    HA   VAL  30           HA       VAL  30   9.815 -12.856  -3.668
 1364    HB   VAL  30           HB       VAL  30  11.050 -10.078  -3.553
 1365   1HG1  VAL  30          1HG1      VAL  30   9.505 -11.092  -1.639
 1366   2HG1  VAL  30          2HG1      VAL  30  10.990 -10.227  -1.241
 1367   3HG1  VAL  30          3HG1      VAL  30  10.973 -11.990  -1.252
 1368   1HG2  VAL  30          1HG2      VAL  30  12.180 -12.864  -3.398
 1369   2HG2  VAL  30          2HG2      VAL  30  12.972 -11.537  -2.547
 1370   3HG2  VAL  30          3HG2      VAL  30  12.783 -11.473  -4.299
 1371    H    GLU  31           H        GLU  31   7.680 -12.484  -5.058
 1372    HA   GLU  31           HA       GLU  31   5.504 -11.570  -5.101
 1373   1HB   GLU  31          1HB       GLU  31   6.247 -11.804  -2.542
 1374   2HB   GLU  31          2HB       GLU  31   6.163 -10.043  -2.603
 1375   1HG   GLU  31          1HG       GLU  31   3.875 -10.030  -2.992
 1376   2HG   GLU  31          2HG       GLU  31   3.891 -11.622  -3.752
 1377    H    GLU  32           H        GLU  32   4.345  -9.448  -5.327
 1378    HA   GLU  32           HA       GLU  32   6.116  -7.080  -5.660
 1379   1HB   GLU  32          1HB       GLU  32   5.295  -6.824  -7.992
 1380   2HB   GLU  32          2HB       GLU  32   6.132  -8.362  -7.784
 1381   1HG   GLU  32          1HG       GLU  32   3.676  -9.201  -7.169
 1382   2HG   GLU  32          2HG       GLU  32   3.216  -7.823  -8.170
 1383    H    CYS  33           H        CYS  33   4.739  -5.097  -6.162
 1384    HA   CYS  33           HA       CYS  33   1.874  -5.352  -5.425
 1385   1HB   CYS  33          1HB       CYS  33   2.211  -3.713  -3.573
 1386   2HB   CYS  33          2HB       CYS  33   3.135  -5.192  -3.307
 1387    HG   CYS  33           HG       CYS  33   4.536  -2.700  -4.568
 1388    H    LEU  34           H        LEU  34   0.978  -2.920  -5.334
 1389    HA   LEU  34           HA       LEU  34   1.853  -1.650  -7.874
 1390   1HB   LEU  34          1HB       LEU  34  -0.508  -1.188  -6.011
 1391   2HB   LEU  34          2HB       LEU  34  -0.312  -0.459  -7.605
 1392    HG   LEU  34           HG       LEU  34  -0.020  -3.395  -7.563
 1393   1HD1  LEU  34          1HD1      LEU  34  -1.940  -2.633  -5.884
 1394   2HD1  LEU  34          2HD1      LEU  34  -2.188  -3.983  -6.992
 1395   3HD1  LEU  34          3HD1      LEU  34  -2.834  -2.389  -7.385
 1396   1HD2  LEU  34          1HD2      LEU  34  -0.909  -3.201  -9.685
 1397   2HD2  LEU  34          2HD2      LEU  34  -0.294  -1.559  -9.491
 1398   3HD2  LEU  34          3HD2      LEU  34  -2.003  -1.898  -9.220
 1399    H    CYS  35           H        CYS  35   1.439   0.936  -7.651
 1400    HA   CYS  35           HA       CYS  35   2.577   1.981  -5.114
 1401   1HB   CYS  35          1HB       CYS  35   3.856   2.042  -7.862
 1402   2HB   CYS  35          2HB       CYS  35   4.320   3.180  -6.599
 1403    HG   CYS  35           HG       CYS  35   5.863   1.336  -5.937
 1404    H    ILE  36           H        ILE  36   2.809   4.509  -5.412
 1405    HA   ILE  36           HA       ILE  36   0.354   5.458  -6.849
 1406    HB   ILE  36           HB       ILE  36   1.920   6.559  -4.484
 1407   1HG1  ILE  36          1HG1      ILE  36  -0.827   5.282  -4.652
 1408   2HG1  ILE  36          2HG1      ILE  36   0.619   4.503  -4.009
 1409   1HG2  ILE  36          1HG2      ILE  36  -0.779   7.501  -5.458
 1410   2HG2  ILE  36          2HG2      ILE  36   0.715   8.222  -6.056
 1411   3HG2  ILE  36          3HG2      ILE  36   0.322   8.305  -4.339
 1412   1HD1  ILE  36          1HD1      ILE  36  -0.192   7.169  -2.900
 1413   2HD1  ILE  36          2HD1      ILE  36   0.660   5.842  -2.110
 1414   3HD1  ILE  36          3HD1      ILE  36  -1.079   5.735  -2.387
 1415    H    VAL  37           H        VAL  37   0.571   7.173  -8.323
 1416    HA   VAL  37           HA       VAL  37   3.379   8.103  -8.830
 1417    HB   VAL  37           HB       VAL  37   1.024   7.784 -10.728
 1418   1HG1  VAL  37          1HG1      VAL  37   2.527   9.454 -11.574
 1419   2HG1  VAL  37          2HG1      VAL  37   2.894   7.964 -12.444
 1420   3HG1  VAL  37          3HG1      VAL  37   3.939   8.497 -11.126
 1421   1HG2  VAL  37          1HG2      VAL  37   2.843   5.962 -11.545
 1422   2HG2  VAL  37          2HG2      VAL  37   1.560   5.578 -10.396
 1423   3HG2  VAL  37          3HG2      VAL  37   3.181   5.955  -9.813
 1424    H    ARG  38           H        ARG  38   3.593  10.200  -8.169
 1425    HA   ARG  38           HA       ARG  38   1.486  12.156  -8.949
 1426   1HB   ARG  38          1HB       ARG  38   2.183  11.176  -6.258
 1427   2HB   ARG  38          2HB       ARG  38   2.198  12.934  -6.386
 1428   1HG   ARG  38          1HG       ARG  38  -0.095  11.207  -7.356
 1429   2HG   ARG  38          2HG       ARG  38  -0.046  11.955  -5.759
 1430   1HD   ARG  38          1HD       ARG  38   0.546  13.810  -7.988
 1431   2HD   ARG  38          2HD       ARG  38  -1.110  13.174  -7.970
 1432    HE   ARG  38           HE       ARG  38  -0.405  13.860  -5.299
 1433   1HH1  ARG  38          1HH1      ARG  38  -0.983  15.385  -8.375
 1434   2HH1  ARG  38          2HH1      ARG  38  -1.533  16.862  -7.663
 1435   1HH2  ARG  38          1HH2      ARG  38  -1.121  15.787  -4.399
 1436   2HH2  ARG  38          2HH2      ARG  38  -1.611  17.090  -5.429
 1437    H    HIS  39           H        HIS  39   2.310  14.372  -8.955
 1438    HA   HIS  39           HA       HIS  39   5.161  14.528  -9.627
 1439   1HB   HIS  39          1HB       HIS  39   2.680  16.122  -9.854
 1440   2HB   HIS  39          2HB       HIS  39   4.138  17.088  -9.631
 1441    HD1  HIS  39           HD1      HIS  39   3.975  17.889 -12.136
 1442    HD2  HIS  39           HD2      HIS  39   4.527  13.783 -11.672
 1443    HE1  HIS  39           HE1      HIS  39   4.643  16.995 -14.409
 1444    H    ASN  40           H        ASN  40   6.310  16.612  -8.674
 1445    HA   ASN  40           HA       ASN  40   6.721  16.202  -5.871
 1446   1HB   ASN  40          1HB       ASN  40   8.138  18.242  -6.159
 1447   2HB   ASN  40          2HB       ASN  40   8.381  17.081  -7.462
 1448   1HD2  ASN  40          1HD2      ASN  40   8.907  18.580  -9.141
 1449   2HD2  ASN  40          2HD2      ASN  40   7.817  19.750  -9.710
 1450    H    ASP  41           H        ASP  41   6.707  19.362  -5.538
 1451    HA   ASP  41           HA       ASP  41   5.253  20.972  -4.625
 1452   1HB   ASP  41          1HB       ASP  41   4.036  20.038  -6.837
 1453   2HB   ASP  41          2HB       ASP  41   2.874  19.468  -5.640
 1454    H    ASP  42           H        ASP  42   2.479  20.287  -3.731
 1455    HA   ASP  42           HA       ASP  42   2.845  19.721  -1.042
 1456   1HB   ASP  42          1HB       ASP  42   0.445  18.971  -1.152
 1457   2HB   ASP  42          2HB       ASP  42   0.741  20.457  -2.053
 1458    H    TRP  43           H        TRP  43   2.389  17.329  -3.653
 1459    HA   TRP  43           HA       TRP  43   2.285  14.990  -2.016
 1460   1HB   TRP  43          1HB       TRP  43   1.667  15.006  -4.367
 1461   2HB   TRP  43          2HB       TRP  43   3.274  15.558  -4.833
 1462    HD1  TRP  43           HD1      TRP  43   5.028  13.767  -5.340
 1463    HE1  TRP  43           HE1      TRP  43   5.140  11.203  -5.109
 1464    HE3  TRP  43           HE3      TRP  43   0.718  12.927  -2.733
 1465    HZ2  TRP  43           HZ2      TRP  43   3.608   9.079  -3.970
 1466    HZ3  TRP  43           HZ3      TRP  43   0.070  10.624  -2.088
 1467    HH2  TRP  43           HH2      TRP  43   1.507   8.700  -2.702
 1468    H    GLY  44           H        GLY  44   5.003  16.872  -3.306
 1469   1HA   GLY  44          1HA       GLY  44   7.068  15.007  -2.616
 1470   2HA   GLY  44          2HA       GLY  44   7.305  16.735  -2.875
 1471    H    THR  45           H        THR  45   5.449  17.584  -0.802
 1472    HA   THR  45           HA       THR  45   7.244  17.290   1.504
 1473    HB   THR  45           HB       THR  45   4.618  18.753   1.049
 1474    HG1  THR  45           HG1      THR  45   5.830  20.238   0.219
 1475   1HG2  THR  45          1HG2      THR  45   4.657  19.347   3.223
 1476   2HG2  THR  45          2HG2      THR  45   6.347  19.839   3.104
 1477   3HG2  THR  45          3HG2      THR  45   5.940  18.162   3.467
 1478    H    ALA  46           H        ALA  46   3.709  16.794   1.059
 1479    HA   ALA  46           HA       ALA  46   3.109  15.552   3.485
 1480   1HB   ALA  46          1HB       ALA  46   1.537  16.196   1.647
 1481   2HB   ALA  46          2HB       ALA  46   1.239  14.557   2.228
 1482   3HB   ALA  46          3HB       ALA  46   2.102  14.812   0.712
 1483    H    LEU  47           H        LEU  47   3.884  13.765   0.468
 1484    HA   LEU  47           HA       LEU  47   4.535  11.365   2.085
 1485   1HB   LEU  47          1HB       LEU  47   4.290  11.965  -0.886
 1486   2HB   LEU  47          2HB       LEU  47   4.727  10.380  -0.260
 1487    HG   LEU  47           HG       LEU  47   2.372  10.306  -0.658
 1488   1HD1  LEU  47          1HD1      LEU  47   2.113  10.952   2.213
 1489   2HD1  LEU  47          2HD1      LEU  47   3.398   9.809   1.821
 1490   3HD1  LEU  47          3HD1      LEU  47   1.734   9.460   1.353
 1491   1HD2  LEU  47          1HD2      LEU  47   0.905  12.034  -0.340
 1492   2HD2  LEU  47          2HD2      LEU  47   2.382  12.984  -0.481
 1493   3HD2  LEU  47          3HD2      LEU  47   1.725  12.607   1.112
 1494    H    GLU  48           H        GLU  48   6.295  13.827   2.040
 1495    HA   GLU  48           HA       GLU  48   8.564  13.677   0.467
 1496   1HB   GLU  48          1HB       GLU  48   9.728  14.615   2.518
 1497   2HB   GLU  48          2HB       GLU  48   8.218  15.420   2.103
 1498   1HG   GLU  48          1HG       GLU  48   8.087  15.086   4.444
 1499   2HG   GLU  48          2HG       GLU  48   7.100  13.794   3.770
 1500    H    ASP  49           H        ASP  49   7.624  11.377   2.942
 1501    HA   ASP  49           HA       ASP  49  10.273  10.017   2.650
 1502   1HB   ASP  49          1HB       ASP  49   9.577   8.955   4.821
 1503   2HB   ASP  49          2HB       ASP  49   9.672  10.712   4.924
 1504    H    TYR  50           H        TYR  50  10.081   7.576   2.728
 1505    HA   TYR  50           HA       TYR  50   9.271   5.592   1.727
 1506   1HB   TYR  50          1HB       TYR  50   6.642   6.912   2.510
 1507   2HB   TYR  50          2HB       TYR  50   6.907   5.187   2.274
 1508    HD1  TYR  50           HD1      TYR  50   9.171   4.368   3.646
 1509    HD2  TYR  50           HD2      TYR  50   6.524   7.571   4.732
 1510    HE1  TYR  50           HE1      TYR  50   9.892   4.163   6.010
 1511    HE2  TYR  50           HE2      TYR  50   7.244   7.366   7.096
 1512    HH   TYR  50           HH       TYR  50   9.346   4.747   8.156
 1513    H    LEU  51           H        LEU  51   9.557   8.066   0.035
 1514    HA   LEU  51           HA       LEU  51   7.470   7.478  -2.035
 1515   1HB   LEU  51          1HB       LEU  51   7.959   9.786  -0.731
 1516   2HB   LEU  51          2HB       LEU  51   9.132   9.967  -2.032
 1517    HG   LEU  51           HG       LEU  51   7.356   9.633  -3.701
 1518   1HD1  LEU  51          1HD1      LEU  51   5.485   8.538  -3.093
 1519   2HD1  LEU  51          2HD1      LEU  51   5.015   9.941  -2.134
 1520   3HD1  LEU  51          3HD1      LEU  51   5.943   8.636  -1.393
 1521   1HD2  LEU  51          1HD2      LEU  51   6.866  11.836  -3.602
 1522   2HD2  LEU  51          2HD2      LEU  51   7.703  11.860  -2.049
 1523   3HD2  LEU  51          3HD2      LEU  51   5.955  11.631  -2.105
 1524    H    PHE  52           H        PHE  52   8.306   6.306  -3.706
 1525    HA   PHE  52           HA       PHE  52  11.204   6.393  -4.317
 1526   1HB   PHE  52          1HB       PHE  52   8.787   4.803  -5.211
 1527   2HB   PHE  52          2HB       PHE  52  10.328   4.662  -6.056
 1528    HD1  PHE  52           HD1      PHE  52   9.080   4.751  -2.509
 1529    HD2  PHE  52           HD2      PHE  52  11.731   2.944  -5.366
 1530    HE1  PHE  52           HE1      PHE  52   9.893   3.188  -0.765
 1531    HE2  PHE  52           HE2      PHE  52  12.544   1.380  -3.621
 1532    HZ   PHE  52           HZ       PHE  52  11.624   1.502  -1.321
 1533    H    SER  53           H        SER  53  11.742   8.231  -5.499
 1534    HA   SER  53           HA       SER  53   9.831   9.146  -7.602
 1535   1HB   SER  53          1HB       SER  53  10.597  10.665  -5.747
 1536   2HB   SER  53          2HB       SER  53  12.245  10.509  -6.356
 1537    HG   SER  53           HG       SER  53  11.652  12.169  -7.512
 1538    H    ARG  54           H        ARG  54  10.628   9.668  -9.705
 1539    HA   ARG  54           HA       ARG  54  13.314   8.532 -10.394
 1540   1HB   ARG  54          1HB       ARG  54  12.180   7.651 -12.456
 1541   2HB   ARG  54          2HB       ARG  54  11.523   6.952 -10.975
 1542   1HG   ARG  54          1HG       ARG  54   9.571   8.275 -11.077
 1543   2HG   ARG  54          2HG       ARG  54  10.304   9.426 -12.194
 1544   1HD   ARG  54          1HD       ARG  54   9.834   6.527 -12.948
 1545   2HD   ARG  54          2HD       ARG  54   8.637   7.801 -13.253
 1546    HE   ARG  54           HE       ARG  54  11.127   8.778 -14.170
 1547   1HH1  ARG  54          1HH1      ARG  54   8.917   6.185 -14.883
 1548   2HH1  ARG  54          2HH1      ARG  54   9.362   6.117 -16.553
 1549   1HH2  ARG  54          1HH2      ARG  54  11.688   8.670 -16.340
 1550   2HH2  ARG  54          2HH2      ARG  54  10.920   7.513 -17.374
 1551    H    LYS  55           H        LYS  55  13.595   9.236 -12.945
 1552    HA   LYS  55           HA       LYS  55  13.698  12.148 -12.879
 1553   1HB   LYS  55          1HB       LYS  55  14.726   9.875 -14.432
 1554   2HB   LYS  55          2HB       LYS  55  14.355  11.275 -15.439
 1555   1HG   LYS  55          1HG       LYS  55  15.906  11.594 -12.873
 1556   2HG   LYS  55          2HG       LYS  55  16.722  11.126 -14.365
 1557   1HD   LYS  55          1HD       LYS  55  15.243  13.193 -15.290
 1558   2HD   LYS  55          2HD       LYS  55  15.470  13.717 -13.621
 1559   1HE   LYS  55          1HE       LYS  55  17.749  12.822 -15.422
 1560   2HE   LYS  55          2HE       LYS  55  17.295  14.517 -15.166
 1561   1HZ   LYS  55          1HZ       LYS  55  17.413  13.980 -12.713
 1562   2HZ   LYS  55          2HZ       LYS  55  18.903  14.033 -13.526
 1563   3HZ   LYS  55          3HZ       LYS  55  18.195  12.536 -13.147
 1564    H    ASN  56           H        ASN  56  11.326  12.468 -12.723
 1565    HA   ASN  56           HA       ASN  56   9.628  11.757 -14.996
 1566   1HB   ASN  56          1HB       ASN  56   9.967  14.693 -14.653
 1567   2HB   ASN  56          2HB       ASN  56  11.317  13.840 -15.398
 1568   1HD2  ASN  56          1HD2      ASN  56   7.706  13.739 -15.644
 1569   2HD2  ASN  56          2HD2      ASN  56   7.683  13.678 -17.340
 1570    H    MET  57           H        MET  57   9.705  11.725 -11.954
 1571    HA   MET  57           HA       MET  57   7.824  13.672 -10.957
 1572   1HB   MET  57          1HB       MET  57   5.821  12.228 -10.967
 1573   2HB   MET  57          2HB       MET  57   6.407  12.468 -12.611
 1574   1HG   MET  57          1HG       MET  57   7.810  10.230 -11.659
 1575   2HG   MET  57          2HG       MET  57   6.155  10.007 -11.095
 1576   1HE   MET  57          1HE       MET  57   3.980  10.339 -14.102
 1577   2HE   MET  57          2HE       MET  57   4.845  11.872 -13.999
 1578   3HE   MET  57          3HE       MET  57   4.338  11.046 -12.526
 1579    H    SER  58           H        SER  58   6.462  12.157  -9.066
 1580    HA   SER  58           HA       SER  58   8.590  10.627  -7.622
 1581   1HB   SER  58          1HB       SER  58   6.757  12.691  -6.365
 1582   2HB   SER  58          2HB       SER  58   8.199  11.960  -5.659
 1583    HG   SER  58           HG       SER  58   9.026  13.769  -6.407
 1584    H    ALA  59           H        ALA  59   7.670   8.609  -7.419
 1585    HA   ALA  59           HA       ALA  59   4.734   8.404  -6.913
 1586   1HB   ALA  59          1HB       ALA  59   6.924   6.601  -7.955
 1587   2HB   ALA  59          2HB       ALA  59   5.418   7.071  -8.745
 1588   3HB   ALA  59          3HB       ALA  59   5.392   5.916  -7.413
 1589    H    MET  60           H        MET  60   4.201   6.452  -5.392
 1590    HA   MET  60           HA       MET  60   5.970   6.639  -2.974
 1591   1HB   MET  60          1HB       MET  60   3.307   7.278  -3.325
 1592   2HB   MET  60          2HB       MET  60   3.200   5.626  -2.723
 1593   1HG   MET  60          1HG       MET  60   5.154   6.843  -1.120
 1594   2HG   MET  60          2HG       MET  60   3.892   8.062  -1.291
 1595   1HE   MET  60          1HE       MET  60   2.224   7.595   1.505
 1596   2HE   MET  60          2HE       MET  60   3.762   8.165   0.857
 1597   3HE   MET  60          3HE       MET  60   3.731   6.840   2.021
 1598    H    ALA  61           H        ALA  61   6.072   4.631  -1.658
 1599    HA   ALA  61           HA       ALA  61   6.297   2.222  -3.339
 1600   1HB   ALA  61          1HB       ALA  61   6.642   1.727  -0.537
 1601   2HB   ALA  61          2HB       ALA  61   7.363   3.297  -0.894
 1602   3HB   ALA  61          3HB       ALA  61   7.897   1.861  -1.770
 1603    H    LEU  62           H        LEU  62   4.040   1.917  -3.849
 1604    HA   LEU  62           HA       LEU  62   1.952   0.861  -3.510
 1605   1HB   LEU  62          1HB       LEU  62   2.109   2.601  -1.038
 1606   2HB   LEU  62          2HB       LEU  62   1.912   3.266  -2.652
 1607    HG   LEU  62           HG       LEU  62   0.030   1.333  -1.271
 1608   1HD1  LEU  62          1HD1      LEU  62  -1.132   3.796  -2.217
 1609   2HD1  LEU  62          2HD1      LEU  62   0.260   4.163  -1.195
 1610   3HD1  LEU  62          3HD1      LEU  62  -1.058   3.176  -0.568
 1611   1HD2  LEU  62          1HD2      LEU  62   0.447   2.091  -4.065
 1612   2HD2  LEU  62          2HD2      LEU  62  -1.208   2.349  -3.515
 1613   3HD2  LEU  62          3HD2      LEU  62  -0.477   0.749  -3.393
 1614    H    GLY  63           H        GLY  63   2.851  -1.299  -2.997
 1615   1HA   GLY  63          1HA       GLY  63   1.819  -2.362  -0.557
 1616   2HA   GLY  63          2HA       GLY  63   2.882  -3.227  -1.665
 1617    H    PHE  64           H        PHE  64   4.520  -4.022  -0.427
 1618    HA   PHE  64           HA       PHE  64   5.533  -2.561   1.908
 1619   1HB   PHE  64          1HB       PHE  64   6.447  -5.104   0.509
 1620   2HB   PHE  64          2HB       PHE  64   6.906  -4.603   2.135
 1621    HD1  PHE  64           HD1      PHE  64   4.941  -4.139   3.805
 1622    HD2  PHE  64           HD2      PHE  64   4.553  -6.446   0.202
 1623    HE1  PHE  64           HE1      PHE  64   2.897  -5.211   4.711
 1624    HE2  PHE  64           HE2      PHE  64   2.509  -7.518   1.109
 1625    HZ   PHE  64           HZ       PHE  64   1.681  -6.901   3.364
 1626    H    GLY  65           H        GLY  65   5.985  -0.917  -0.268
 1627   1HA   GLY  65          1HA       GLY  65   8.749  -1.391  -1.209
 1628   2HA   GLY  65          2HA       GLY  65   7.682  -0.095  -1.752
 1629    H    ALA  66           H        ALA  66   7.003   0.474   1.155
 1630    HA   ALA  66           HA       ALA  66   9.269   2.316   1.627
 1631   1HB   ALA  66          1HB       ALA  66   7.576   3.019   3.488
 1632   2HB   ALA  66          2HB       ALA  66   6.465   1.913   2.681
 1633   3HB   ALA  66          3HB       ALA  66   7.119   3.299   1.808
 1634    H    ILE  67           H        ILE  67   7.673  -0.450   3.198
 1635    HA   ILE  67           HA       ILE  67   8.958  -0.359   5.715
 1636    HB   ILE  67           HB       ILE  67   8.497  -2.844   5.663
 1637   1HG1  ILE  67          1HG1      ILE  67   7.010  -3.041   3.288
 1638   2HG1  ILE  67          2HG1      ILE  67   8.532  -2.286   2.815
 1639   1HG2  ILE  67          1HG2      ILE  67   6.687  -1.505   6.384
 1640   2HG2  ILE  67          2HG2      ILE  67   5.995  -2.514   5.113
 1641   3HG2  ILE  67          3HG2      ILE  67   6.427  -0.838   4.772
 1642   1HD1  ILE  67          1HD1      ILE  67   8.141  -4.916   4.260
 1643   2HD1  ILE  67          2HD1      ILE  67   9.704  -4.106   4.163
 1644   3HD1  ILE  67          3HD1      ILE  67   8.899  -4.649   2.691
 1645    H    PHE  68           H        PHE  68  10.270  -1.156   2.589
 1646    HA   PHE  68           HA       PHE  68  12.425  -2.856   3.280
 1647   1HB   PHE  68          1HB       PHE  68  11.934  -0.710   1.214
 1648   2HB   PHE  68          2HB       PHE  68  13.479  -1.558   1.264
 1649    HD1  PHE  68           HD1      PHE  68  12.818  -4.270   1.993
 1650    HD2  PHE  68           HD2      PHE  68  10.676  -1.567  -0.568
 1651    HE1  PHE  68           HE1      PHE  68  11.806  -6.197   0.806
 1652    HE2  PHE  68           HE2      PHE  68   9.663  -3.495  -1.755
 1653    HZ   PHE  68           HZ       PHE  68  10.228  -5.810  -1.067
 1654    H    ASN  69           H        ASN  69  14.065  -2.491   4.707
 1655    HA   ASN  69           HA       ASN  69  14.637   0.251   5.639
 1656   1HB   ASN  69          1HB       ASN  69  15.760  -2.478   6.377
 1657   2HB   ASN  69          2HB       ASN  69  16.000  -0.991   7.295
 1658   1HD2  ASN  69          1HD2      ASN  69  14.767  -3.061   8.665
 1659   2HD2  ASN  69          2HD2      ASN  69  13.108  -2.749   8.849
 1660    H    HIS  70           H        HIS  70  17.148   0.623   6.015
 1661    HA   HIS  70           HA       HIS  70  18.436   0.323   3.348
 1662   1HB   HIS  70          1HB       HIS  70  18.091   2.527   4.614
 1663   2HB   HIS  70          2HB       HIS  70  19.305   1.952   5.757
 1664    HD1  HIS  70           HD1      HIS  70  18.971   2.445   1.983
 1665    HD2  HIS  70           HD2      HIS  70  21.879   2.561   4.968
 1666    HE1  HIS  70           HE1      HIS  70  21.117   3.192   0.864
 1667    H    SER  71           H        SER  71  19.699  -1.500   3.200
 1668    HA   SER  71           HA       SER  71  21.338  -2.267   5.594
 1669   1HB   SER  71          1HB       SER  71  19.677  -3.933   4.992
 1670   2HB   SER  71          2HB       SER  71  20.139  -3.848   3.292
 1671    HG   SER  71           HG       SER  71  21.299  -5.516   3.928
 1672    H    LYS  72           H        LYS  72  23.520  -3.051   5.120
 1673    HA   LYS  72           HA       LYS  72  24.884  -1.506   3.079
 1674   1HB   LYS  72          1HB       LYS  72  25.721  -3.789   4.906
 1675   2HB   LYS  72          2HB       LYS  72  26.845  -2.802   3.972
 1676   1HG   LYS  72          1HG       LYS  72  24.964  -1.174   5.503
 1677   2HG   LYS  72          2HG       LYS  72  25.918  -2.236   6.538
 1678   1HD   LYS  72          1HD       LYS  72  27.887  -1.175   6.036
 1679   2HD   LYS  72          2HD       LYS  72  27.400  -0.837   4.375
 1680   1HE   LYS  72          1HE       LYS  72  25.679   0.808   5.503
 1681   2HE   LYS  72          2HE       LYS  72  26.800   0.726   6.876
 1682   1HZ   LYS  72          1HZ       LYS  72  28.619   1.271   5.402
 1683   2HZ   LYS  72          2HZ       LYS  72  27.422   2.468   5.269
 1684   3HZ   LYS  72          3HZ       LYS  72  27.580   1.287   4.058
 1685    H    ASP  73           H        ASP  73  23.523  -4.719   3.219
 1686    HA   ASP  73           HA       ASP  73  24.595  -5.239   0.468
 1687   1HB   ASP  73          1HB       ASP  73  24.282  -7.169   2.800
 1688   2HB   ASP  73          2HB       ASP  73  24.864  -7.601   1.192
 1689    HA   PRO  74           HA       PRO  74  19.942  -5.558   0.749
 1690   1HB   PRO  74          1HB       PRO  74  19.552  -4.304  -1.703
 1691   2HB   PRO  74          2HB       PRO  74  19.530  -3.471  -0.139
 1692   1HG   PRO  74          1HG       PRO  74  21.696  -3.648  -2.168
 1693   2HG   PRO  74          2HG       PRO  74  21.237  -2.298  -1.121
 1694   1HD   PRO  74          1HD       PRO  74  23.395  -3.874  -0.646
 1695   2HD   PRO  74          2HD       PRO  74  22.467  -3.091   0.651
 1696    H    ASN  75           H        ASN  75  20.143  -7.836   0.377
 1697    HA   ASN  75           HA       ASN  75  21.057  -8.970  -2.117
 1698   1HB   ASN  75          1HB       ASN  75  19.256 -10.084   0.067
 1699   2HB   ASN  75          2HB       ASN  75  20.176 -11.035  -1.098
 1700   1HD2  ASN  75          1HD2      ASN  75  22.590  -9.338  -0.994
 1701   2HD2  ASN  75          2HD2      ASN  75  23.303  -9.600   0.524
 1702    H    ALA  76           H        ALA  76  18.103  -7.448  -1.212
 1703    HA   ALA  76           HA       ALA  76  16.695  -8.746  -3.519
 1704   1HB   ALA  76          1HB       ALA  76  15.418  -7.227  -1.239
 1705   2HB   ALA  76          2HB       ALA  76  15.889  -8.915  -1.046
 1706   3HB   ALA  76          3HB       ALA  76  14.698  -8.466  -2.267
 1707    H    ARG  77           H        ARG  77  16.632  -7.399  -5.267
 1708    HA   ARG  77           HA       ARG  77  16.791  -4.454  -4.843
 1709   1HB   ARG  77          1HB       ARG  77  17.981  -6.260  -6.592
 1710   2HB   ARG  77          2HB       ARG  77  16.725  -5.520  -7.585
 1711   1HG   ARG  77          1HG       ARG  77  17.755  -3.334  -6.286
 1712   2HG   ARG  77          2HG       ARG  77  19.193  -4.337  -6.481
 1713   1HD   ARG  77          1HD       ARG  77  18.936  -4.408  -8.863
 1714   2HD   ARG  77          2HD       ARG  77  17.289  -3.754  -8.772
 1715    HE   ARG  77           HE       ARG  77  19.052  -1.929  -7.470
 1716   1HH1  ARG  77          1HH1      ARG  77  18.344  -3.164 -10.646
 1717   2HH1  ARG  77          2HH1      ARG  77  18.861  -1.720 -11.444
 1718   1HH2  ARG  77          1HH2      ARG  77  19.717  -0.064  -8.528
 1719   2HH2  ARG  77          2HH2      ARG  77  19.633   0.024 -10.255
 1720    H    HIS  78           H        HIS  78  15.382  -3.191  -6.525
 1721    HA   HIS  78           HA       HIS  78  12.648  -4.428  -6.575
 1722   1HB   HIS  78          1HB       HIS  78  11.868  -2.081  -6.267
 1723   2HB   HIS  78          2HB       HIS  78  12.944  -2.580  -4.963
 1724    HD1  HIS  78           HD1      HIS  78  15.187  -1.377  -4.746
 1725    HD2  HIS  78           HD2      HIS  78  13.080  -0.257  -8.164
 1726    HE1  HIS  78           HE1      HIS  78  16.408   0.617  -5.719
 1727    H    GLU  79           H        GLU  79  11.400  -4.087  -8.459
 1728    HA   GLU  79           HA       GLU  79  12.825  -2.821 -10.776
 1729   1HB   GLU  79          1HB       GLU  79  12.651  -5.430 -10.538
 1730   2HB   GLU  79          2HB       GLU  79  10.964  -5.190 -10.991
 1731   1HG   GLU  79          1HG       GLU  79  11.761  -3.919 -13.011
 1732   2HG   GLU  79          2HG       GLU  79  13.410  -4.379 -12.587
 1733    H    LEU  80           H        LEU  80  11.530  -1.476 -12.038
 1734    HA   LEU  80           HA       LEU  80   8.668  -1.212 -11.187
 1735   1HB   LEU  80          1HB       LEU  80  10.893   0.639 -11.852
 1736   2HB   LEU  80          2HB       LEU  80   9.310   1.113 -12.469
 1737    HG   LEU  80           HG       LEU  80   9.425   0.165  -9.647
 1738   1HD1  LEU  80          1HD1      LEU  80  11.426   1.734 -10.070
 1739   2HD1  LEU  80          2HD1      LEU  80  10.317   2.184  -8.774
 1740   3HD1  LEU  80          3HD1      LEU  80  10.223   2.996 -10.337
 1741   1HD2  LEU  80          1HD2      LEU  80   7.287   0.834 -10.267
 1742   2HD2  LEU  80          2HD2      LEU  80   7.884   2.098 -11.341
 1743   3HD2  LEU  80          3HD2      LEU  80   7.915   2.339  -9.594
 1744    H    THR  81           H        THR  81   7.122  -1.550 -12.735
 1745    HA   THR  81           HA       THR  81   7.678  -2.699 -15.265
 1746    HB   THR  81           HB       THR  81   5.257  -2.135 -15.666
 1747    HG1  THR  81           HG1      THR  81   5.328  -0.924 -13.123
 1748   1HG2  THR  81          1HG2      THR  81   6.396  -3.744 -13.645
 1749   2HG2  THR  81          2HG2      THR  81   4.795  -3.913 -14.364
 1750   3HG2  THR  81          3HG2      THR  81   5.009  -2.947 -12.905
 1751    H    ALA  82           H        ALA  82   6.262  -1.311 -17.182
 1752    HA   ALA  82           HA       ALA  82   8.163   0.729 -17.999
 1753   1HB   ALA  82          1HB       ALA  82   5.787  -0.719 -19.018
 1754   2HB   ALA  82          2HB       ALA  82   7.286  -0.306 -19.849
 1755   3HB   ALA  82          3HB       ALA  82   6.005   0.895 -19.694
 1756    H    GLY  83           H        GLY  83   7.422   1.817 -15.693
 1757   1HA   GLY  83          1HA       GLY  83   6.468   4.364 -16.183
 1758   2HA   GLY  83          2HA       GLY  83   5.003   3.433 -15.872
 1759    H    LEU  84           H        LEU  84   4.395   3.933 -13.815
 1760    HA   LEU  84           HA       LEU  84   6.318   3.393 -11.613
 1761   1HB   LEU  84          1HB       LEU  84   5.900   5.940 -12.634
 1762   2HB   LEU  84          2HB       LEU  84   4.764   5.880 -11.289
 1763    HG   LEU  84           HG       LEU  84   6.563   5.230  -9.760
 1764   1HD1  LEU  84          1HD1      LEU  84   8.086   5.042 -12.331
 1765   2HD1  LEU  84          2HD1      LEU  84   8.127   3.980 -10.924
 1766   3HD1  LEU  84          3HD1      LEU  84   8.956   5.535 -10.878
 1767   1HD2  LEU  84          1HD2      LEU  84   7.610   7.340  -9.621
 1768   2HD2  LEU  84          2HD2      LEU  84   6.113   7.683 -10.488
 1769   3HD2  LEU  84          3HD2      LEU  84   7.632   7.543 -11.373
 1770    H    LYS  85           H        LYS  85   3.743   2.225 -12.700
 1771    HA   LYS  85           HA       LYS  85   1.861   2.796 -10.463
 1772   1HB   LYS  85          1HB       LYS  85   1.648   1.294 -13.097
 1773   2HB   LYS  85          2HB       LYS  85   0.311   1.487 -11.963
 1774   1HG   LYS  85          1HG       LYS  85   0.805   4.023 -12.124
 1775   2HG   LYS  85          2HG       LYS  85   1.737   3.611 -13.563
 1776   1HD   LYS  85          1HD       LYS  85  -0.466   2.255 -14.178
 1777   2HD   LYS  85          2HD       LYS  85  -1.214   3.428 -13.095
 1778   1HE   LYS  85          1HE       LYS  85   0.198   5.170 -14.513
 1779   2HE   LYS  85          2HE       LYS  85   0.144   3.884 -15.734
 1780   1HZ   LYS  85          1HZ       LYS  85  -1.809   5.414 -15.784
 1781   2HZ   LYS  85          2HZ       LYS  85  -2.233   4.860 -14.236
 1782   3HZ   LYS  85          3HZ       LYS  85  -2.222   3.784 -15.550
 1783    H    ARG  86           H        ARG  86   3.696   0.119 -11.937
 1784    HA   ARG  86           HA       ARG  86   3.135  -1.476  -9.464
 1785   1HB   ARG  86          1HB       ARG  86   2.150  -1.884 -12.091
 1786   2HB   ARG  86          2HB       ARG  86   3.390  -3.112 -11.843
 1787   1HG   ARG  86          1HG       ARG  86   1.858  -2.936  -9.442
 1788   2HG   ARG  86          2HG       ARG  86   0.728  -3.047 -10.791
 1789   1HD   ARG  86          1HD       ARG  86   2.462  -4.942 -11.582
 1790   2HD   ARG  86          2HD       ARG  86   2.732  -5.043  -9.832
 1791    HE   ARG  86           HE       ARG  86  -0.045  -4.887 -10.138
 1792   1HH1  ARG  86          1HH1      ARG  86   2.505  -6.990 -11.231
 1793   2HH1  ARG  86          2HH1      ARG  86   1.479  -8.379 -11.300
 1794   1HH2  ARG  86          1HH2      ARG  86  -1.357  -6.704 -10.235
 1795   2HH2  ARG  86          2HH2      ARG  86  -0.692  -8.222 -10.740
 1796    H    MET  87           H        MET  87   4.866  -2.755  -8.770
 1797    HA   MET  87           HA       MET  87   7.281  -3.005 -10.469
 1798   1HB   MET  87          1HB       MET  87   8.586  -2.128  -8.363
 1799   2HB   MET  87          2HB       MET  87   7.848  -0.957  -9.451
 1800   1HG   MET  87          1HG       MET  87   6.188  -0.397  -7.946
 1801   2HG   MET  87          2HG       MET  87   6.210  -1.979  -7.164
 1802   1HE   MET  87          1HE       MET  87   8.266  -2.301  -4.710
 1803   2HE   MET  87          2HE       MET  87   9.654  -2.124  -5.784
 1804   3HE   MET  87          3HE       MET  87   8.191  -2.926  -6.358
 1805    H    ARG  88           H        ARG  88   8.594  -4.768  -9.828
 1806    HA   ARG  88           HA       ARG  88   7.395  -6.507  -7.698
 1807   1HB   ARG  88          1HB       ARG  88   9.127  -7.229 -10.091
 1808   2HB   ARG  88          2HB       ARG  88   8.254  -8.353  -9.052
 1809   1HG   ARG  88          1HG       ARG  88   6.633  -8.201 -10.645
 1810   2HG   ARG  88          2HG       ARG  88   6.233  -6.686  -9.836
 1811   1HD   ARG  88          1HD       ARG  88   7.037  -5.423 -11.568
 1812   2HD   ARG  88          2HD       ARG  88   8.436  -6.486 -11.808
 1813    HE   ARG  88           HE       ARG  88   5.879  -6.716 -13.172
 1814   1HH1  ARG  88          1HH1      ARG  88   8.561  -8.508 -11.862
 1815   2HH1  ARG  88          2HH1      ARG  88   8.326  -9.850 -12.928
 1816   1HH2  ARG  88          1HH2      ARG  88   5.594  -8.469 -14.543
 1817   2HH2  ARG  88          2HH2      ARG  88   6.660  -9.830 -14.435
 1818    H    ILE  89           H        ILE  89   8.986  -7.849  -6.489
 1819    HA   ILE  89           HA       ILE  89  11.579  -6.394  -6.125
 1820    HB   ILE  89           HB       ILE  89   9.876  -8.138  -4.307
 1821   1HG1  ILE  89          1HG1      ILE  89  10.653  -5.329  -3.675
 1822   2HG1  ILE  89          2HG1      ILE  89   9.453  -5.561  -4.946
 1823   1HG2  ILE  89          1HG2      ILE  89  11.524  -7.528  -2.543
 1824   2HG2  ILE  89          2HG2      ILE  89  12.530  -6.766  -3.775
 1825   3HG2  ILE  89          3HG2      ILE  89  12.250  -8.506  -3.818
 1826   1HD1  ILE  89          1HD1      ILE  89   7.956  -6.674  -3.482
 1827   2HD1  ILE  89          2HD1      ILE  89   8.579  -5.327  -2.529
 1828   3HD1  ILE  89          3HD1      ILE  89   9.213  -6.953  -2.276
 1829    H    PHE  90           H        PHE  90  13.449  -7.519  -6.563
 1830    HA   PHE  90           HA       PHE  90  13.196 -10.463  -7.093
 1831   1HB   PHE  90          1HB       PHE  90  14.701  -8.184  -8.377
 1832   2HB   PHE  90          2HB       PHE  90  15.288  -9.835  -8.567
 1833    HD1  PHE  90           HD1      PHE  90  14.154 -11.415  -9.972
 1834    HD2  PHE  90           HD2      PHE  90  12.418  -7.566  -9.183
 1835    HE1  PHE  90           HE1      PHE  90  12.478 -11.805 -11.758
 1836    HE2  PHE  90           HE2      PHE  90  10.742  -7.956 -10.970
 1837    HZ   PHE  90           HZ       PHE  90  10.772 -10.075 -12.257
 1838    H    THR  91           H        THR  91  15.635 -11.392  -7.042
 1839    HA   THR  91           HA       THR  91  16.923 -10.391  -4.524
 1840    HB   THR  91           HB       THR  91  17.368 -12.825  -4.086
 1841    HG1  THR  91           HG1      THR  91  16.284 -14.311  -5.405
 1842   1HG2  THR  91          1HG2      THR  91  14.421 -12.485  -4.602
 1843   2HG2  THR  91          2HG2      THR  91  15.231 -11.497  -3.387
 1844   3HG2  THR  91          3HG2      THR  91  15.222 -13.254  -3.232
 1845    H    ILE  92           H        ILE  92  18.776  -9.410  -5.332
 1846    HA   ILE  92           HA       ILE  92  20.185 -10.157  -7.693
 1847    HB   ILE  92           HB       ILE  92  21.964  -8.738  -6.674
 1848   1HG1  ILE  92          1HG1      ILE  92  20.298  -8.328  -4.237
 1849   2HG1  ILE  92          2HG1      ILE  92  21.264  -9.801  -4.309
 1850   1HG2  ILE  92          1HG2      ILE  92  20.719  -6.771  -6.768
 1851   2HG2  ILE  92          2HG2      ILE  92  19.363  -7.468  -5.883
 1852   3HG2  ILE  92          3HG2      ILE  92  19.626  -7.897  -7.573
 1853   1HD1  ILE  92          1HD1      ILE  92  22.127  -6.995  -4.015
 1854   2HD1  ILE  92          2HD1      ILE  92  23.061  -7.925  -5.187
 1855   3HD1  ILE  92          3HD1      ILE  92  22.938  -8.479  -3.517
 1856    H    LYS  93           H        LYS  93  20.077 -11.664  -4.584
 1857    HA   LYS  93           HA       LYS  93  22.115 -13.627  -5.475
 1858   1HB   LYS  93          1HB       LYS  93  23.337 -13.368  -3.339
 1859   2HB   LYS  93          2HB       LYS  93  23.289 -11.832  -4.205
 1860   1HG   LYS  93          1HG       LYS  93  22.313 -10.883  -2.414
 1861   2HG   LYS  93          2HG       LYS  93  20.936 -11.966  -2.618
 1862   1HD   LYS  93          1HD       LYS  93  21.616 -12.544  -0.470
 1863   2HD   LYS  93          2HD       LYS  93  22.540 -13.704  -1.424
 1864   1HE   LYS  93          1HE       LYS  93  23.915 -11.122  -1.128
 1865   2HE   LYS  93          2HE       LYS  93  23.637 -11.951   0.416
 1866   1HZ   LYS  93          1HZ       LYS  93  24.953 -13.016  -2.023
 1867   2HZ   LYS  93          2HZ       LYS  93  24.410 -14.024  -0.768
 1868   3HZ   LYS  93          3HZ       LYS  93  25.615 -12.866  -0.467
 1869    HA   PRO  94           HA       PRO  94  19.378 -16.486  -3.577
 1870   1HB   PRO  94          1HB       PRO  94  21.640 -17.916  -2.334
 1871   2HB   PRO  94          2HB       PRO  94  20.511 -18.478  -3.576
 1872   1HG   PRO  94          1HG       PRO  94  23.090 -17.907  -4.106
 1873   2HG   PRO  94          2HG       PRO  94  21.795 -17.677  -5.287
 1874   1HD   PRO  94          1HD       PRO  94  23.229 -15.657  -3.630
 1875   2HD   PRO  94          2HD       PRO  94  22.626 -15.534  -5.296
 1876    H    ILE  95           H        ILE  95  18.216 -16.288  -1.691
 1877    HA   ILE  95           HA       ILE  95  19.562 -15.020   0.641
 1878    HB   ILE  95           HB       ILE  95  16.641 -15.523  -0.035
 1879   1HG1  ILE  95          1HG1      ILE  95  18.367 -13.044  -0.330
 1880   2HG1  ILE  95          2HG1      ILE  95  17.753 -14.033  -1.655
 1881   1HG2  ILE  95          1HG2      ILE  95  17.043 -15.223   2.375
 1882   2HG2  ILE  95          2HG2      ILE  95  16.227 -13.811   1.706
 1883   3HG2  ILE  95          3HG2      ILE  95  17.955 -13.750   2.047
 1884   1HD1  ILE  95          1HD1      ILE  95  16.267 -12.148  -1.425
 1885   2HD1  ILE  95          2HD1      ILE  95  16.136 -12.395   0.316
 1886   3HD1  ILE  95          3HD1      ILE  95  15.418 -13.559  -0.797
 1887    H    ALA  96           H        ALA  96  19.199 -15.876   2.791
 1888    HA   ALA  96           HA       ALA  96  18.810 -18.843   2.809
 1889   1HB   ALA  96          1HB       ALA  96  20.994 -18.062   3.519
 1890   2HB   ALA  96          2HB       ALA  96  20.130 -18.575   4.968
 1891   3HB   ALA  96          3HB       ALA  96  20.270 -16.859   4.586
 1892    H    ILE  97           H        ILE  97  17.637 -19.768   4.614
 1893    HA   ILE  97           HA       ILE  97  15.183 -18.485   5.286
 1894    HB   ILE  97           HB       ILE  97  16.691 -20.712   6.710
 1895   1HG1  ILE  97          1HG1      ILE  97  14.721 -21.748   4.977
 1896   2HG1  ILE  97          2HG1      ILE  97  15.586 -20.532   4.040
 1897   1HG2  ILE  97          1HG2      ILE  97  14.314 -19.478   7.408
 1898   2HG2  ILE  97          2HG2      ILE  97  14.792 -21.108   7.881
 1899   3HG2  ILE  97          3HG2      ILE  97  13.771 -20.865   6.463
 1900   1HD1  ILE  97          1HD1      ILE  97  16.459 -23.091   4.351
 1901   2HD1  ILE  97          2HD1      ILE  97  17.285 -22.307   5.697
 1902   3HD1  ILE  97          3HD1      ILE  97  17.534 -21.726   4.050
 1903    H    GLY  98           H        GLY  98  15.283 -16.531   6.397
 1904   1HA   GLY  98          1HA       GLY  98  15.249 -15.583   8.670
 1905   2HA   GLY  98          2HA       GLY  98  16.640 -16.596   9.058
 1906    H    GLU  99           H        GLU  99  16.359 -14.827   6.034
 1907    HA   GLU  99           HA       GLU  99  18.776 -13.254   6.805
 1908   1HB   GLU  99          1HB       GLU  99  18.236 -14.825   4.668
 1909   2HB   GLU  99          2HB       GLU  99  17.634 -13.291   4.045
 1910   1HG   GLU  99          1HG       GLU  99  20.374 -13.590   5.297
 1911   2HG   GLU  99          2HG       GLU  99  20.090 -13.784   3.568
 1912    H    GLU 100           H        GLU 100  18.794 -10.934   6.341
 1913    HA   GLU 100           HA       GLU 100  16.145  -9.680   6.702
 1914   1HB   GLU 100          1HB       GLU 100  18.721  -9.223   7.601
 1915   2HB   GLU 100          2HB       GLU 100  18.537  -7.989   6.355
 1916   1HG   GLU 100          1HG       GLU 100  16.152  -8.229   8.027
 1917   2HG   GLU 100          2HG       GLU 100  17.585  -7.832   8.974
 1918    H    ILE 101           H        ILE 101  14.974  -9.151   4.912
 1919    HA   ILE 101           HA       ILE 101  16.361  -8.701   2.324
 1920    HB   ILE 101           HB       ILE 101  13.454  -9.021   3.153
 1921   1HG1  ILE 101          1HG1      ILE 101  15.382 -10.865   1.712
 1922   2HG1  ILE 101          2HG1      ILE 101  14.806 -11.062   3.367
 1923   1HG2  ILE 101          1HG2      ILE 101  14.581  -7.932   0.750
 1924   2HG2  ILE 101          2HG2      ILE 101  12.884  -8.241   1.117
 1925   3HG2  ILE 101          3HG2      ILE 101  13.869  -9.500   0.372
 1926   1HD1  ILE 101          1HD1      ILE 101  12.900 -12.035   2.655
 1927   2HD1  ILE 101          2HD1      ILE 101  13.589 -12.054   1.032
 1928   3HD1  ILE 101          3HD1      ILE 101  12.578 -10.703   1.545
 1929    H    THR 102           H        THR 102  16.631  -6.691   1.512
 1930    HA   THR 102           HA       THR 102  14.782  -4.490   2.197
 1931    HB   THR 102           HB       THR 102  16.791  -3.110   2.936
 1932    HG1  THR 102           HG1      THR 102  18.429  -4.350   2.093
 1933   1HG2  THR 102          1HG2      THR 102  16.611  -3.822   5.161
 1934   2HG2  THR 102          2HG2      THR 102  16.530  -5.525   4.710
 1935   3HG2  THR 102          3HG2      THR 102  15.138  -4.475   4.443
 1936    H    ILE 103           H        ILE 103  15.499  -2.468   0.885
 1937    HA   ILE 103           HA       ILE 103  16.899  -3.326  -1.628
 1938    HB   ILE 103           HB       ILE 103  15.188  -1.991  -2.824
 1939   1HG1  ILE 103          1HG1      ILE 103  13.213  -1.656  -0.837
 1940   2HG1  ILE 103          2HG1      ILE 103  14.706  -1.023  -0.145
 1941   1HG2  ILE 103          1HG2      ILE 103  13.395  -3.597  -1.148
 1942   2HG2  ILE 103          2HG2      ILE 103  14.849  -4.468  -1.633
 1943   3HG2  ILE 103          3HG2      ILE 103  13.789  -3.773  -2.858
 1944   1HD1  ILE 103          1HD1      ILE 103  15.048   0.303  -2.247
 1945   2HD1  ILE 103          2HD1      ILE 103  13.598   0.768  -1.358
 1946   3HD1  ILE 103          3HD1      ILE 103  13.463  -0.242  -2.798
 1947    H    SER 104           H        SER 104  17.205  -1.334   0.957
 1948    HA   SER 104           HA       SER 104  18.366   0.681   1.328
 1949   1HB   SER 104          1HB       SER 104  20.343   0.734   0.104
 1950   2HB   SER 104          2HB       SER 104  19.802  -0.891  -0.309
 1951    HG   SER 104           HG       SER 104  20.287   1.064  -1.956
 1952    H    TYR 105           H        TYR 105  19.156   2.568  -0.789
 1953    HA   TYR 105           HA       TYR 105  16.468   3.439  -1.781
 1954   1HB   TYR 105          1HB       TYR 105  18.600   5.115  -0.407
 1955   2HB   TYR 105          2HB       TYR 105  17.048   5.709  -0.995
 1956    HD1  TYR 105           HD1      TYR 105  15.147   3.669  -0.227
 1957    HD2  TYR 105           HD2      TYR 105  18.567   5.122   1.927
 1958    HE1  TYR 105           HE1      TYR 105  14.091   2.986   1.911
 1959    HE2  TYR 105           HE2      TYR 105  17.511   4.440   4.064
 1960    HH   TYR 105           HH       TYR 105  15.503   2.433   4.563
 1961    H    GLY 106           H        GLY 106  19.683   5.014  -1.964
 1962   1HA   GLY 106          1HA       GLY 106  20.226   4.208  -4.664
 1963   2HA   GLY 106          2HA       GLY 106  19.427   5.780  -4.664
 1964    H    ASP 107           H        ASP 107  21.480   6.620  -5.544
 1965    HA   ASP 107           HA       ASP 107  23.822   6.612  -3.739
 1966   1HB   ASP 107          1HB       ASP 107  23.190   7.715  -6.495
 1967   2HB   ASP 107          2HB       ASP 107  24.750   7.958  -5.710
 1968    H    ASP 108           H        ASP 108  21.125   8.151  -3.286
 1969    HA   ASP 108           HA       ASP 108  22.450  10.732  -2.560
 1970   1HB   ASP 108          1HB       ASP 108  20.519  10.257  -4.601
 1971   2HB   ASP 108          2HB       ASP 108  19.683  11.104  -3.299
 1972    H    TYR 109           H        TYR 109  19.386   8.895  -2.226
 1973    HA   TYR 109           HA       TYR 109  18.562  10.050   0.240
 1974   1HB   TYR 109          1HB       TYR 109  17.690   8.149  -1.602
 1975   2HB   TYR 109          2HB       TYR 109  17.935   7.207  -0.132
 1976    HD1  TYR 109           HD1      TYR 109  16.794  10.732  -0.727
 1977    HD2  TYR 109           HD2      TYR 109  15.887   6.876   0.933
 1978    HE1  TYR 109           HE1      TYR 109  14.680  11.631   0.208
 1979    HE2  TYR 109           HE2      TYR 109  13.773   7.774   1.867
 1980    HH   TYR 109           HH       TYR 109  12.204  10.039   1.009
 1981    H    TRP 110           H        TRP 110  19.652   9.964   2.152
 1982    HA   TRP 110           HA       TRP 110  20.958   9.153   3.934
 1983   1HB   TRP 110          1HB       TRP 110  19.484   6.856   2.747
 1984   2HB   TRP 110          2HB       TRP 110  20.811   6.440   3.830
 1985    HD1  TRP 110           HD1      TRP 110  17.656   8.668   3.785
 1986    HE1  TRP 110           HE1      TRP 110  16.755   8.837   6.195
 1987    HE3  TRP 110           HE3      TRP 110  21.282   6.065   6.267
 1988    HZ2  TRP 110           HZ2      TRP 110  17.477   7.982   8.827
 1989    HZ3  TRP 110           HZ3      TRP 110  21.150   5.758   8.723
 1990    HH2  TRP 110           HH2      TRP 110  19.255   6.712  10.005
 1991    H    LEU 111           H        LEU 111  21.636   6.332   1.897
 1992    HA   LEU 111           HA       LEU 111  24.459   6.504   2.290
 1993   1HB   LEU 111          1HB       LEU 111  22.670   4.663   1.400
 1994   2HB   LEU 111          2HB       LEU 111  23.366   5.166  -0.139
 1995    HG   LEU 111           HG       LEU 111  25.625   4.674   0.703
 1996   1HD1  LEU 111          1HD1      LEU 111  24.101   4.274   3.245
 1997   2HD1  LEU 111          2HD1      LEU 111  25.674   5.029   2.988
 1998   3HD1  LEU 111          3HD1      LEU 111  25.525   3.272   2.961
 1999   1HD2  LEU 111          1HD2      LEU 111  25.442   2.260   0.762
 2000   2HD2  LEU 111          2HD2      LEU 111  24.212   2.872  -0.344
 2001   3HD2  LEU 111          3HD2      LEU 111  23.759   2.357   1.280
 2002    H    SER 112           H        SER 112  25.169   6.029  -0.592
 2003    HA   SER 112           HA       SER 112  24.648   8.487  -2.049
 2004   1HB   SER 112          1HB       SER 112  26.607   8.409   0.064
 2005   2HB   SER 112          2HB       SER 112  27.438   8.654  -1.473
 2006    HG   SER 112           HG       SER 112  25.880  10.342  -1.876
 2007    H    ARG 113           H        ARG 113  27.039   5.884  -1.484
 2008    HA   ARG 113           HA       ARG 113  27.121   5.467  -4.450
 2009   1HB   ARG 113          1HB       ARG 113  29.309   5.810  -2.406
 2010   2HB   ARG 113          2HB       ARG 113  29.617   4.860  -3.859
 2011   1HG   ARG 113          1HG       ARG 113  28.280   7.471  -4.294
 2012   2HG   ARG 113          2HG       ARG 113  29.951   7.555  -3.737
 2013   1HD   ARG 113          1HD       ARG 113  29.999   5.555  -5.692
 2014   2HD   ARG 113          2HD       ARG 113  28.931   6.800  -6.366
 2015    HE   ARG 113           HE       ARG 113  31.786   7.106  -5.819
 2016   1HH1  ARG 113          1HH1      ARG 113  28.714   8.727  -6.050
 2017   2HH1  ARG 113          2HH1      ARG 113  29.427  10.265  -6.394
 2018   1HH2  ARG 113          1HH2      ARG 113  32.689   9.112  -6.266
 2019   2HH2  ARG 113          2HH2      ARG 113  31.661  10.484  -6.516
 2020    HA   PRO 114           HA       PRO 114  26.391   1.301  -3.131
 2021   1HB   PRO 114          1HB       PRO 114  26.682   0.059  -5.547
 2022   2HB   PRO 114          2HB       PRO 114  25.271   1.060  -5.158
 2023   1HG   PRO 114          1HG       PRO 114  27.636   1.680  -6.837
 2024   2HG   PRO 114          2HG       PRO 114  25.958   2.210  -7.010
 2025   1HD   PRO 114          1HD       PRO 114  28.045   3.722  -5.948
 2026   2HD   PRO 114          2HD       PRO 114  26.314   4.061  -5.748
 2027    H    ARG 115           H        ARG 115  28.594   1.490  -1.973
 2028    HA   ARG 115           HA       ARG 115  30.393  -0.600  -3.029
 2029   1HB   ARG 115          1HB       ARG 115  32.329   0.942  -3.007
 2030   2HB   ARG 115          2HB       ARG 115  31.084   1.526  -4.112
 2031   1HG   ARG 115          1HG       ARG 115  30.203   2.924  -2.173
 2032   2HG   ARG 115          2HG       ARG 115  31.685   2.504  -1.318
 2033   1HD   ARG 115          1HD       ARG 115  31.593   3.851  -4.042
 2034   2HD   ARG 115          2HD       ARG 115  31.904   4.684  -2.507
 2035    HE   ARG 115           HE       ARG 115  33.778   2.945  -3.918
 2036   1HH1  ARG 115          1HH1      ARG 115  32.749   4.129  -0.810
 2037   2HH1  ARG 115          2HH1      ARG 115  34.289   3.854  -0.073
 2038   1HH2  ARG 115          1HH2      ARG 115  35.769   2.598  -2.937
 2039   2HH2  ARG 115          2HH2      ARG 115  35.987   2.994  -1.265
 2040    H    LEU 116           H        LEU 116  30.951  -1.826  -1.288
 2041    HA   LEU 116           HA       LEU 116  31.089  -0.496   1.401
 2042   1HB   LEU 116          1HB       LEU 116  29.653  -2.836   0.332
 2043   2HB   LEU 116          2HB       LEU 116  30.545  -3.188   1.813
 2044    HG   LEU 116           HG       LEU 116  28.261  -2.411   2.329
 2045   1HD1  LEU 116          1HD1      LEU 116  29.462  -0.020   3.302
 2046   2HD1  LEU 116          2HD1      LEU 116  30.713  -1.263   3.281
 2047   3HD1  LEU 116          3HD1      LEU 116  29.214  -1.535   4.169
 2048   1HD2  LEU 116          1HD2      LEU 116  28.533  -0.804   0.146
 2049   2HD2  LEU 116          2HD2      LEU 116  28.833   0.356   1.440
 2050   3HD2  LEU 116          3HD2      LEU 116  27.319  -0.548   1.400
 2051    H    THR 117           H        THR 117  32.031  -3.654  -0.009
 2052    HA   THR 117           HA       THR 117  34.728  -3.291   1.248
 2053    HB   THR 117           HB       THR 117  33.206  -5.794   0.426
 2054    HG1  THR 117           HG1      THR 117  32.343  -5.707   2.326
 2055   1HG2  THR 117          1HG2      THR 117  35.689  -6.012   0.455
 2056   2HG2  THR 117          2HG2      THR 117  34.918  -6.982   1.711
 2057   3HG2  THR 117          3HG2      THR 117  35.695  -5.454   2.128
 2058    H    GLN 118           H        GLN 118  33.004  -4.230  -1.703
 2059    HA   GLN 118           HA       GLN 118  35.323  -3.531  -3.347
 2060   1HB   GLN 118          1HB       GLN 118  35.213  -6.081  -2.251
 2061   2HB   GLN 118          2HB       GLN 118  34.516  -6.317  -3.854
 2062   1HG   GLN 118          1HG       GLN 118  36.462  -5.544  -4.944
 2063   2HG   GLN 118          2HG       GLN 118  37.070  -4.756  -3.488
 2064   1HE2  GLN 118          1HE2      GLN 118  39.088  -6.113  -3.972
 2065   2HE2  GLN 118          2HE2      GLN 118  39.123  -7.714  -3.410
 2066    H    ASN 119           H        ASN 119  34.425  -5.279  -5.542
 2067    HA   ASN 119           HA       ASN 119  31.603  -4.814  -6.047
 2068   1HB   ASN 119          1HB       ASN 119  32.924  -2.537  -6.141
 2069   2HB   ASN 119          2HB       ASN 119  33.474  -3.130  -7.708
 2070   1HD2  ASN 119          1HD2      ASN 119  32.180  -2.220  -9.313
 2071   2HD2  ASN 119          2HD2      ASN 119  30.496  -2.031  -9.217
 2072   1H    GLY 201          1H        GLY 201  17.947  20.797  22.699
 2073   2H    GLY 201          2H        GLY 201  17.070  21.749  23.799
 2074   3H    GLY 201          3H        GLY 201  17.560  22.404  22.311
 2075   1HA   GLY 201          1HA       GLY 201  15.547  20.268  22.745
 2076   2HA   GLY 201          2HA       GLY 201  15.249  21.903  22.155
 2077    H    LYS 202           H        LYS 202  16.780  22.438  20.168
 2078    HA   LYS 202           HA       LYS 202  17.164  21.990  17.880
 2079   1HB   LYS 202          1HB       LYS 202  18.475  20.124  19.576
 2080   2HB   LYS 202          2HB       LYS 202  17.850  19.198  18.211
 2081   1HG   LYS 202          1HG       LYS 202  19.046  20.500  16.635
 2082   2HG   LYS 202          2HG       LYS 202  19.333  21.795  17.798
 2083   1HD   LYS 202          1HD       LYS 202  20.385  19.144  18.587
 2084   2HD   LYS 202          2HD       LYS 202  21.169  19.872  17.185
 2085   1HE   LYS 202          1HE       LYS 202  20.785  21.908  19.186
 2086   2HE   LYS 202          2HE       LYS 202  21.602  20.515  19.921
 2087   1HZ   LYS 202          1HZ       LYS 202  22.353  21.856  17.370
 2088   2HZ   LYS 202          2HZ       LYS 202  23.105  20.469  17.998
 2089   3HZ   LYS 202          3HZ       LYS 202  23.214  21.945  18.831
 2090    H    ALA 203           H        ALA 203  16.755  19.818  16.279
 2091    HA   ALA 203           HA       ALA 203  14.379  18.296  16.765
 2092   1HB   ALA 203          1HB       ALA 203  12.827  19.930  16.507
 2093   2HB   ALA 203          2HB       ALA 203  13.326  20.048  14.820
 2094   3HB   ALA 203          3HB       ALA 203  14.064  21.094  16.033
 2095    HA   PRO 204           HA       PRO 204  15.314  18.128  12.075
 2096   1HB   PRO 204          1HB       PRO 204  17.269  19.848  11.125
 2097   2HB   PRO 204          2HB       PRO 204  15.531  20.192  11.065
 2098   1HG   PRO 204          1HG       PRO 204  17.598  21.169  12.963
 2099   2HG   PRO 204          2HG       PRO 204  16.190  22.006  12.299
 2100   1HD   PRO 204          1HD       PRO 204  16.284  20.996  14.824
 2101   2HD   PRO 204          2HD       PRO 204  14.780  21.165  13.897
 2102    H    ARG 205           H        ARG 205  17.857  18.850  14.369
 2103    HA   ARG 205           HA       ARG 205  19.878  17.741  14.857
 2104   1HB   ARG 205          1HB       ARG 205  18.001  15.760  13.665
 2105   2HB   ARG 205          2HB       ARG 205  19.691  15.265  13.754
 2106   1HG   ARG 205          1HG       ARG 205  19.000  16.538  16.223
 2107   2HG   ARG 205          2HG       ARG 205  17.766  15.332  15.861
 2108   1HD   ARG 205          1HD       ARG 205  19.267  13.859  16.774
 2109   2HD   ARG 205          2HD       ARG 205  20.092  13.989  15.209
 2110    HE   ARG 205           HE       ARG 205  20.837  16.209  16.867
 2111   1HH1  ARG 205          1HH1      ARG 205  21.298  12.774  16.539
 2112   2HH1  ARG 205          2HH1      ARG 205  22.856  12.800  17.289
 2113   1HH2  ARG 205          1HH2      ARG 205  22.860  16.218  17.837
 2114   2HH2  ARG 205          2HH2      ARG 205  23.736  14.735  18.019
 2115    H    LYS 206           H        LYS 206  19.441  15.998  11.803
 2116    HA   LYS 206           HA       LYS 206  21.296  17.789  10.371
 2117   1HB   LYS 206          1HB       LYS 206  22.000  15.160  11.619
 2118   2HB   LYS 206          2HB       LYS 206  22.701  15.519  10.041
 2119   1HG   LYS 206          1HG       LYS 206  23.064  17.897  11.377
 2120   2HG   LYS 206          2HG       LYS 206  23.279  16.717  12.670
 2121   1HD   LYS 206          1HD       LYS 206  24.708  16.647   9.995
 2122   2HD   LYS 206          2HD       LYS 206  25.418  17.215  11.506
 2123   1HE   LYS 206          1HE       LYS 206  24.265  14.649  12.017
 2124   2HE   LYS 206          2HE       LYS 206  25.255  14.520  10.551
 2125   1HZ   LYS 206          1HZ       LYS 206  26.500  14.302  12.714
 2126   2HZ   LYS 206          2HZ       LYS 206  26.154  15.940  12.999
 2127   3HZ   LYS 206          3HZ       LYS 206  27.093  15.492  11.657
 2128    H    GLN 207           H        GLN 207  20.292  14.347  10.185
 2129    HA   GLN 207           HA       GLN 207  19.217  14.932   7.444
 2130   1HB   GLN 207          1HB       GLN 207  21.350  13.377   8.119
 2131   2HB   GLN 207          2HB       GLN 207  20.057  12.182   8.216
 2132   1HG   GLN 207          1HG       GLN 207  20.420  11.988   5.971
 2133   2HG   GLN 207          2HG       GLN 207  19.405  13.428   5.885
 2134   1HE2  GLN 207          1HE2      GLN 207  22.876  12.516   6.294
 2135   2HE2  GLN 207          2HE2      GLN 207  23.478  13.859   5.449
 2136    H    LEU 208           H        LEU 208  17.535  15.229   9.690
 2137    HA   LEU 208           HA       LEU 208  16.058  12.724  10.133
 2138   1HB   LEU 208          1HB       LEU 208  16.088  15.547  11.094
 2139   2HB   LEU 208          2HB       LEU 208  14.545  14.702  11.213
 2140    HG   LEU 208           HG       LEU 208  15.885  14.409  13.271
 2141   1HD1  LEU 208          1HD1      LEU 208  14.553  12.464  11.855
 2142   2HD1  LEU 208          2HD1      LEU 208  15.162  12.266  13.499
 2143   3HD1  LEU 208          3HD1      LEU 208  16.120  11.703  12.129
 2144   1HD2  LEU 208          1HD2      LEU 208  18.073  14.503  11.802
 2145   2HD2  LEU 208          2HD2      LEU 208  17.848  12.756  11.712
 2146   3HD2  LEU 208          3HD2      LEU 208  18.049  13.541  13.279
 2147    H    ALA 209           H        ALA 209  15.218  15.932   8.753
 2148    HA   ALA 209           HA       ALA 209  12.932  14.653   7.327
 2149   1HB   ALA 209          1HB       ALA 209  12.155  16.970   7.124
 2150   2HB   ALA 209          2HB       ALA 209  13.707  17.569   7.709
 2151   3HB   ALA 209          3HB       ALA 209  12.642  16.674   8.793
 2152    H    THR 210           H        THR 210  14.158  13.673   5.587
 2153    HA   THR 210           HA       THR 210  15.959  15.288   3.941
 2154    HB   THR 210           HB       THR 210  15.665  13.104   2.509
 2155    HG1  THR 210           HG1      THR 210  14.621  11.489   3.502
 2156   1HG2  THR 210          1HG2      THR 210  17.659  12.902   3.561
 2157   2HG2  THR 210          2HG2      THR 210  16.797  11.924   4.749
 2158   3HG2  THR 210          3HG2      THR 210  17.044  13.646   5.037
 2159    H    LYS 211           H        LYS 211  14.920  16.938   2.822
 2160    HA   LYS 211           HA       LYS 211  12.292  16.430   1.547
 2161   1HB   LYS 211          1HB       LYS 211  13.775  18.633   2.635
 2162   2HB   LYS 211          2HB       LYS 211  13.425  18.993   0.944
 2163   1HG   LYS 211          1HG       LYS 211  11.113  18.903   1.267
 2164   2HG   LYS 211          2HG       LYS 211  11.253  17.889   2.704
 2165   1HD   LYS 211          1HD       LYS 211  12.649  20.345   3.189
 2166   2HD   LYS 211          2HD       LYS 211  11.040  20.730   2.578
 2167   1HE   LYS 211          1HE       LYS 211  10.362  18.782   4.317
 2168   2HE   LYS 211          2HE       LYS 211  11.825  19.383   5.121
 2169   1HZ   LYS 211          1HZ       LYS 211  10.976  21.630   4.936
 2170   2HZ   LYS 211          2HZ       LYS 211   9.841  20.665   5.751
 2171   3HZ   LYS 211          3HZ       LYS 211   9.591  21.079   4.123
 2172    H    ALA 212           H        ALA 212  15.329  17.966   0.408
 2173    HA   ALA 212           HA       ALA 212  14.783  17.575  -2.371
 2174   1HB   ALA 212          1HB       ALA 212  17.385  17.904  -2.402
 2175   2HB   ALA 212          2HB       ALA 212  17.211  18.114  -0.659
 2176   3HB   ALA 212          3HB       ALA 212  16.382  19.208  -1.767
 2177    H    ALA 213           H        ALA 213  15.812  16.047  -3.842
 2178    HA   ALA 213           HA       ALA 213  16.502  13.895  -4.515
 2179   1HB   ALA 213          1HB       ALA 213  18.453  13.260  -3.473
 2180   2HB   ALA 213          2HB       ALA 213  17.740  13.358  -1.863
 2181   3HB   ALA 213          3HB       ALA 213  18.286  14.825  -2.677
 2182    H    ARG 214           H        ARG 214  15.816  11.703  -4.292
 2183    HA   ARG 214           HA       ARG 214  14.167  11.027  -1.899
 2184   1HB   ARG 214          1HB       ARG 214  13.348  11.366  -4.765
 2185   2HB   ARG 214          2HB       ARG 214  12.559  10.099  -3.826
 2186   1HG   ARG 214          1HG       ARG 214  11.893  11.736  -2.129
 2187   2HG   ARG 214          2HG       ARG 214  12.747  13.012  -2.997
 2188   1HD   ARG 214          1HD       ARG 214  11.250  12.552  -4.985
 2189   2HD   ARG 214          2HD       ARG 214  10.313  11.461  -3.947
 2190    HE   ARG 214           HE       ARG 214   9.453  13.368  -2.840
 2191   1HH1  ARG 214          1HH1      ARG 214  12.355  14.163  -4.590
 2192   2HH1  ARG 214          2HH1      ARG 214  12.228  15.854  -4.252
 2193   1HH2  ARG 214          1HH2      ARG 214   9.309  15.567  -2.414
 2194   2HH2  ARG 214          2HH2      ARG 214  10.517  16.645  -3.029
 2195   1HN   MLZ 215          1HN       MLZ 215  13.190   8.592  -2.768
 2196    HA   MLZ 215           HA       MLZ 215  15.399   6.820  -2.488
 2197   1HB   MLZ 215          1HB       MLZ 215  12.523   6.766  -2.886
 2198   2HB   MLZ 215          2HB       MLZ 215  13.291   5.486  -3.826
 2199   1HG   MLZ 215          1HG       MLZ 215  14.626   5.423  -1.375
 2200   2HG   MLZ 215          2HG       MLZ 215  13.381   4.295  -1.909
 2201   1HD   MLZ 215          1HD       MLZ 215  12.788   6.921  -0.514
 2202   2HD   MLZ 215          2HD       MLZ 215  11.642   5.633  -0.887
 2203   1HE   MLZ 215          1HE       MLZ 215  13.874   5.621   1.155
 2204   2HE   MLZ 215          2HE       MLZ 215  13.152   4.113   0.563
 2205    HZ   MLZ 215           HZ       MLZ 215  10.999   4.861   1.201
 2206   1HCM  MLZ 215          1HCM      MLZ 215  11.270   5.228   3.608
 2207   2HCM  MLZ 215          2HCM      MLZ 215  12.993   5.462   3.317
 2208   3HCM  MLZ 215          3HCM      MLZ 215  12.248   3.899   2.985
 2209    H    SER 216           H        SER 216  16.935   6.279  -3.975
 2210    HA   SER 216           HA       SER 216  17.950   5.820  -6.058
 2211   1HB   SER 216          1HB       SER 216  17.348   8.388  -5.890
 2212   2HB   SER 216          2HB       SER 216  17.902   7.726  -7.428
 2213    HG   SER 216           HG       SER 216  15.837   7.672  -8.160
 2214    H    ALA 217           H        ALA 217  17.240   5.653  -8.587
 2215    HA   ALA 217           HA       ALA 217  14.620   4.194  -8.674
 2216   1HB   ALA 217          1HB       ALA 217  14.280   5.732 -10.322
 2217   2HB   ALA 217          2HB       ALA 217  15.422   4.787 -11.277
 2218   3HB   ALA 217          3HB       ALA 217  15.986   6.179 -10.353
 2219    HA   PRO 218           HA       PRO 218  16.674   0.498  -9.834
 2220   1HB   PRO 218          1HB       PRO 218  15.236  -0.348 -12.055
 2221   2HB   PRO 218          2HB       PRO 218  14.703  -0.560 -10.379
 2222   1HG   PRO 218          1HG       PRO 218  13.861   1.440 -12.400
 2223   2HG   PRO 218          2HG       PRO 218  12.927   0.674 -11.111
 2224   1HD   PRO 218          1HD       PRO 218  13.875   3.236 -11.000
 2225   2HD   PRO 218          2HD       PRO 218  13.547   2.238  -9.570
 2226    H    ALA 219           H        ALA 219  15.673   1.613 -13.079
 2227    HA   ALA 219           HA       ALA 219  18.551   2.021 -13.777
 2228   1HB   ALA 219          1HB       ALA 219  16.822  -0.160 -14.499
 2229   2HB   ALA 219          2HB       ALA 219  18.496   0.104 -14.985
 2230   3HB   ALA 219          3HB       ALA 219  17.181   0.769 -15.955
 2231    H    THR 220           H        THR 220  18.485   4.193 -14.308
 2232    HA   THR 220           HA       THR 220  17.095   5.058 -16.687
 2233    HB   THR 220           HB       THR 220  15.196   4.868 -15.108
 2234    HG1  THR 220           HG1      THR 220  14.946   6.523 -16.510
 2235   1HG2  THR 220          1HG2      THR 220  15.189   5.796 -12.990
 2236   2HG2  THR 220          2HG2      THR 220  16.303   7.087 -13.439
 2237   3HG2  THR 220          3HG2      THR 220  16.912   5.457 -13.151
 2238    H    GLY 221           H        GLY 221  19.777   5.234 -15.576
 2239   1HA   GLY 221          1HA       GLY 221  20.094   8.067 -14.790
 2240   2HA   GLY 221          2HA       GLY 221  21.379   6.861 -14.843
 2241   1HN   SAH 301          1HN       SAH 301 -11.418  -0.145  -8.558
 2242   2HN   SAH 301          2HN       SAH 301 -10.320   0.453  -9.714
 2243    HA   SAH 301           HA       SAH 301 -10.687   2.721  -8.534
 2244   1HB   SAH 301          1HB       SAH 301 -11.831   0.583  -6.749
 2245   2HB   SAH 301          2HB       SAH 301 -11.075   1.998  -6.017
 2246   1HG   SAH 301          1HG       SAH 301 -13.700   1.857  -6.887
 2247   2HG   SAH 301          2HG       SAH 301 -12.887   2.674  -8.222
 2248   1H5*  SAH 301          1H5*      SAH 301 -15.150   3.666  -6.446
 2249   2H5*  SAH 301          2H5*      SAH 301 -14.757   5.276  -5.842
 2250    H4*  SAH 301           H4*      SAH 301 -13.703   5.684  -8.085
 2251    H3*  SAH 301           H3*      SAH 301 -16.426   5.791  -7.150
 2252   *HO3  SAH 301          *HO3      SAH 301 -14.722   7.402  -8.058
 2253    H2*  SAH 301           H2*      SAH 301 -17.568   4.754  -8.770
 2254   *HO2  SAH 301          *HO2      SAH 301 -16.813   6.894  -9.931
 2255    H1*  SAH 301           H1*      SAH 301 -15.527   4.033 -10.661
 2256    H8   SAH 301           H8       SAH 301 -15.510   1.785  -7.716
 2257   1HN6  SAH 301          1HN6      SAH 301 -19.634  -1.264  -9.260
 2258   2HN6  SAH 301          2HN6      SAH 301 -20.756  -0.176  -8.473
 2259    H2   SAH 301           H2       SAH 301 -19.945   2.749 -12.225
 2260   1HN   SAH 302          1HN       SAH 302  11.306  -0.140   8.538
 2261   2HN   SAH 302          2HN       SAH 302  10.199   0.451   9.682
 2262    HA   SAH 302           HA       SAH 302  10.571   2.720   8.508
 2263   1HB   SAH 302          1HB       SAH 302  11.742   0.587   6.736
 2264   2HB   SAH 302          2HB       SAH 302  10.991   1.999   5.995
 2265   1HG   SAH 302          1HG       SAH 302  13.606   1.866   6.895
 2266   2HG   SAH 302          2HG       SAH 302  12.775   2.679   8.221
 2267   1H5*  SAH 302          1H5*      SAH 302  15.055   3.681   6.472
 2268   2H5*  SAH 302          2H5*      SAH 302  14.664   5.289   5.865
 2269    H4*  SAH 302           H4*      SAH 302  13.583   5.693   8.095
 2270    H3*  SAH 302           H3*      SAH 302  16.317   5.809   7.192
 2271   *HO3  SAH 302          *HO3      SAH 302  14.597   7.413   8.081
 2272    H2*  SAH 302           H2*      SAH 302  17.443   4.775   8.825
 2273   *HO2  SAH 302          *HO2      SAH 302  16.667   6.912   9.978
 2274    H1*  SAH 302           H1*      SAH 302  15.382   4.046  10.692
 2275    H8   SAH 302           H8       SAH 302  15.407   1.800   7.745
 2276   1HN6  SAH 302          1HN6      SAH 302  19.523  -1.237   9.336
 2277   2HN6  SAH 302          2HN6      SAH 302  20.650  -0.145   8.563
 2278    H2   SAH 302           H2       SAH 302  19.786   2.776  12.306