*HEADER    TRANSFERASE                             07-FEB-00   1EF4              
*TITLE     SOLUTION STRUCTURE OF THE ESSENTIAL RNA POLYMERASE SUBUNIT            
*TITLE    2 RPB10 FROM METHANOBACTERIUM THERMOAUTOTROPHICUM                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA-DIRECTED RNA POLYMERASE;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SUBUNIT RPB10;                                             
*COMPND   5 SYNONYM: SUBUNIT N;                                                  
*COMPND   6 EC: 2.7.7.6;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: METHANOBACTERIUM THERMOAUTOTROPHICUM;           
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   5 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    THREE HELIX BUNDLE, ZINC BINDING                                      
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    C.D.MACKERETH, C.H.ARROWSMITH, A.M.EDWARDS, L.P.MCINTOSH              
*REVDAT   1   14-JUN-00 1EF4    0                                                

!The following contains both ARIA unambiguous and ARIA ambiguous restraints
!plus dihedral, hydrogen bond and zinc coordination constraints
!
!Each restraint type is separated below
!
!ARIA unambiguous restrants (unambig.tbl)
!
 ASSI {    1}
   (( segid "RPB1" and resid "8   " and name "HN  "))
   (( segid "RPB1" and resid "7   " and name "HN  "))
      2.600     0.800     0.800 peak     1 weight  0.10000E+01 volume  0.22182E+07 ppm1      7.944 ppm2      9.041
 ASSI {    5}
   (( segid "RPB1" and resid "8   " and name "HN  "))
   (( segid "RPB1" and resid "9   " and name "HN  "))
      2.400     0.700     0.700 peak     5 weight  0.10000E+01 volume  0.39306E+07 ppm1      8.326 ppm2      9.035
 ASSI {    7}
   (( segid "RPB1" and resid "9   " and name "HN  "))
   (( segid "RPB1" and resid "10  " and name "HN  "))
      2.400     0.700     0.700 peak     7 weight  0.10000E+01 volume  0.38271E+07 ppm1      7.650 ppm2      8.329
 ASSI {    8}
   (( segid "RPB1" and resid "10  " and name "HN  "))
   (( segid "RPB1" and resid "11  " and name "HN  "))
      2.800     1.000     1.000 peak     8 weight  0.10000E+01 volume  0.14377E+07 ppm1      8.595 ppm2      7.649
 ASSI {   10}
   (( segid "RPB1" and resid "13  " and name "HN  "))
   (( segid "RPB1" and resid "14  " and name "HN  "))
      3.500     1.500     1.500 peak    10 weight  0.10000E+01 volume  0.42247E+06 ppm1      7.546 ppm2      8.452
 ASSI {   11}
   (( segid "RPB1" and resid "16  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "16  " and name "HD2 "))
   (( segid "RPB1" and resid "16  " and name "HN  "))
      2.600     0.800     0.800 peak    11 weight  0.10000E+01 volume  0.27464E+07 ppm1      7.278 ppm2      7.110
 ASSI {   12}
   (( segid "RPB1" and resid "17  " and name "HN  "))
   (( segid "RPB1" and resid "16  " and name "HN  "))
      2.500     0.800     0.800 peak    12 weight  0.10000E+01 volume  0.28434E+07 ppm1      7.275 ppm2      7.623
 ASSI {   14}
   (( segid "RPB1" and resid "17  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "17  " and name "HD2 "))
   (( segid "RPB1" and resid "17  " and name "HN  "))
      3.700     1.700     1.700 peak    14 weight  0.10000E+01 volume  0.30591E+06 ppm1      7.621 ppm2      7.094
 ASSI {   17}
   (( segid "RPB1" and resid "18  " and name "HN  "))
   (( segid "RPB1" and resid "19  " and name "HN  "))
      3.700     1.700     1.700 peak    17 weight  0.10000E+01 volume  0.30111E+06 ppm1      8.384 ppm2      8.745
 ASSI {   19}
   (( segid "RPB1" and resid "50  " and name "HN  "))
   (( segid "RPB1" and resid "49  " and name "HN  "))
      2.500     0.800     0.800 peak    19 weight  0.10000E+01 volume  0.30342E+07 ppm1      8.169 ppm2      8.014
 ASSI {   20}
   (( segid "RPB1" and resid "19  " and name "HN  "))
   (( segid "RPB1" and resid "20  " and name "HN  "))
      2.600     0.800     0.800 peak    20 weight  0.10000E+01 volume  0.22664E+07 ppm1      8.156 ppm2      8.405
 ASSI {   21}
   (( segid "RPB1" and resid "20  " and name "HN  "))
   (( segid "RPB1" and resid "21  " and name "HN  "))
      2.800     1.000     1.000 peak    21 weight  0.10000E+01 volume  0.14782E+07 ppm1      8.488 ppm2      8.157
 ASSI {   22}
   (( segid "RPB1" and resid "22  " and name "HN  "))
   (( segid "RPB1" and resid "21  " and name "HN  "))
      3.200     1.300     1.300 peak    22 weight  0.10000E+01 volume  0.74335E+06 ppm1      8.489 ppm2      7.765
 ASSI {   25}
   (( segid "RPB1" and resid "22  " and name "HN  "))
   (( segid "RPB1" and resid "23  " and name "HN  "))
      2.400     0.700     0.700 peak    25 weight  0.10000E+01 volume  0.42211E+07 ppm1      7.924 ppm2      7.764
 ASSI {   26}
   (( segid "RPB1" and resid "24  " and name "HN  "))
   (( segid "RPB1" and resid "23  " and name "HN  "))
      2.700     0.900     0.900 peak    26 weight  0.10000E+01 volume  0.18936E+07 ppm1      7.924 ppm2      8.179
 ASSI {   28}
   (( segid "RPB1" and resid "26  " and name "HN  "))
   (( segid "RPB1" and resid "25  " and name "HN  "))
      2.700     0.900     0.900 peak    28 weight  0.10000E+01 volume  0.18091E+07 ppm1      7.997 ppm2      7.438
 ASSI {   29}
   (( segid "RPB1" and resid "24  " and name "HN  "))
   (( segid "RPB1" and resid "25  " and name "HN  "))
      2.900     1.100     1.100 peak    29 weight  0.10000E+01 volume  0.13265E+07 ppm1      7.995 ppm2      8.175
 ASSI {   32}
   (( segid "RPB1" and resid "26  " and name "HN  "))
   (( segid "RPB1" and resid "27  " and name "HN  "))
      2.500     0.800     0.800 peak    32 weight  0.10000E+01 volume  0.32909E+07 ppm1      7.719 ppm2      7.446
 ASSI {   34}
   (( segid "RPB1" and resid "31  " and name "HN  "))
   (( segid "RPB1" and resid "32  " and name "HN  "))
      2.300     0.700     0.700 peak    34 weight  0.10000E+01 volume  0.51109E+07 ppm1      7.258 ppm2      8.249
 ASSI {   35}
   (( segid "RPB1" and resid "33  " and name "HN  "))
   (( segid "RPB1" and resid "32  " and name "HN  "))
      2.300     0.700     0.700 peak    35 weight  0.10000E+01 volume  0.49273E+07 ppm1      7.258 ppm2      8.107
 ASSI {   38}
   (( segid "RPB1" and resid "33  " and name "HN  "))
   (( segid "RPB1" and resid "34  " and name "HN  "))
      2.600     0.800     0.800 peak    38 weight  0.10000E+01 volume  0.22322E+07 ppm1      8.347 ppm2      8.103
 ASSI {   40}
   (( segid "RPB1" and resid "34  " and name "HN  "))
   (( segid "RPB1" and resid "35  " and name "HN  "))
      2.700     0.900     0.900 peak    40 weight  0.10000E+01 volume  0.19697E+07 ppm1      7.843 ppm2      8.350
 ASSI {   41}
   (( segid "RPB1" and resid "36  " and name "HN  "))
   (( segid "RPB1" and resid "35  " and name "HN  "))
      2.600     0.800     0.800 peak    41 weight  0.10000E+01 volume  0.25796E+07 ppm1      7.839 ppm2      8.104
 ASSI {   43}
   (( segid "RPB1" and resid "37  " and name "HN  "))
   (( segid "RPB1" and resid "36  " and name "HN  "))
      2.300     0.700     0.700 peak    43 weight  0.10000E+01 volume  0.52928E+07 ppm1      8.105 ppm2      8.229
 ASSI {   46}
   (( segid "RPB1" and resid "37  " and name "HN  "))
   (( segid "RPB1" and resid "38  " and name "HN  "))
      2.700     0.900     0.900 peak    46 weight  0.10000E+01 volume  0.18669E+07 ppm1      7.772 ppm2      8.209
 ASSI {   48}
   (( segid "RPB1" and resid "38  " and name "HN  "))
   (( segid "RPB1" and resid "39  " and name "HN  "))
      2.800     1.000     1.000 peak    48 weight  0.10000E+01 volume  0.15499E+07 ppm1      7.488 ppm2      7.765
 ASSI {   51}
   (( segid "RPB1" and resid "43  " and name "HN  "))
   (( segid "RPB1" and resid "44  " and name "HN  "))
      2.800     1.000     1.000 peak    51 weight  0.10000E+01 volume  0.16931E+07 ppm1      7.276 ppm2      7.777
 ASSI {   52}
   (( segid "RPB1" and resid "45  " and name "HN  "))
   (( segid "RPB1" and resid "44  " and name "HN  "))
      2.800     1.000     1.000 peak    52 weight  0.10000E+01 volume  0.17492E+07 ppm1      7.275 ppm2      7.629
 ASSI {   56}
   (( segid "RPB1" and resid "47  " and name "HN  "))
   (( segid "RPB1" and resid "46  " and name "HN  "))
      2.700     0.900     0.900 peak    56 weight  0.10000E+01 volume  0.21552E+07 ppm1      8.025 ppm2      7.774
 ASSI {   57}
   (( segid "RPB1" and resid "45  " and name "HN  "))
   (( segid "RPB1" and resid "46  " and name "HN  "))
      2.600     0.800     0.800 peak    57 weight  0.10000E+01 volume  0.25184E+07 ppm1      8.021 ppm2      7.626
 ASSI {   60}
   (( segid "RPB1" and resid "49  " and name "HN  "))
   (( segid "RPB1" and resid "48  " and name "HN  "))
      2.600     0.800     0.800 peak    60 weight  0.10000E+01 volume  0.23530E+07 ppm1      7.486 ppm2      8.163
 ASSI {   61}
   (( segid "RPB1" and resid "47  " and name "HN  "))
   (( segid "RPB1" and resid "48  " and name "HN  "))
      2.900     1.100     1.100 peak    61 weight  0.10000E+01 volume  0.13635E+07 ppm1      7.487 ppm2      7.776
 ASSI {   65}
   (( segid "RPB1" and resid "50  " and name "HN  "))
   (( segid "RPB1" and resid "51  " and name "HN  "))
      2.900     1.100     1.100 peak    65 weight  0.10000E+01 volume  0.13112E+07 ppm1      7.708 ppm2      8.034
 ASSI {   66}
   (( segid "RPB1" and resid "53  " and name "HN  "))
   (( segid "RPB1" and resid "52  " and name "HN  "))
      3.100     1.200     1.200 peak    66 weight  0.10000E+01 volume  0.77912E+06 ppm1      7.606 ppm2      8.010
 ASSI {   68}
   (( segid "RPB1" and resid "4   " and name "HN  "))
   (( segid "RPB1" and resid "5   " and name "HN  "))
      3.100     1.200     1.200 peak    68 weight  0.10000E+01 volume  0.86907E+06 ppm1      7.859 ppm2      7.970
 ASSI {   69}
   (( segid "RPB1" and resid "55  " and name "HB2 "))
   (( segid "RPB1" and resid "55  " and name "HN  "))
      2.500     0.800     0.800 peak    69 weight  0.10000E+01 volume  0.30878E+07 ppm1      7.587 ppm2      3.200
 OR {   69}
   (( segid "RPB1" and resid "55  " and name "HB1 "))
   (( segid "RPB1" and resid "55  " and name "HN  "))
 ASSI {   70}
   (( segid "RPB1" and resid "55  " and name "HA  "))
   (( segid "RPB1" and resid "55  " and name "HN  "))
      2.900     1.100     1.100 peak    70 weight  0.10000E+01 volume  0.11585E+07 ppm1      7.588 ppm2      4.480
 ASSI {   72}
   (( segid "RPB1" and resid "54  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG22"))
   (( segid "RPB1" and resid "54  " and name "HN  "))
      2.700     0.900     0.900 peak    72 weight  0.10000E+01 volume  0.17960E+07 ppm1      7.709 ppm2      1.101
 ASSI {   73}
   (( segid "RPB1" and resid "53  " and name "HB2 "))
   (( segid "RPB1" and resid "54  " and name "HN  "))
      3.100     1.200     1.200 peak    73 weight  0.10000E+01 volume  0.78935E+06 ppm1      7.700 ppm2      1.941
 OR {   73}
   (( segid "RPB1" and resid "53  " and name "HB1 "))
   (( segid "RPB1" and resid "54  " and name "HN  "))
 ASSI {   76}
   (( segid "RPB1" and resid "53  " and name "HA  "))
   (( segid "RPB1" and resid "54  " and name "HN  "))
      2.700     0.900     0.900 peak    76 weight  0.10000E+01 volume  0.20185E+07 ppm1      7.706 ppm2      4.194
 ASSI {   78}
   (( segid "RPB1" and resid "53  " and name "HA  "))
   (( segid "RPB1" and resid "53  " and name "HN  "))
      3.100     1.200     1.200 peak    78 weight  0.10000E+01 volume  0.89128E+06 ppm1      8.002 ppm2      4.187
 ASSI {   80}
   (( segid "RPB1" and resid "53  " and name "HG2 "))
   (( segid "RPB1" and resid "53  " and name "HN  "))
      3.100     1.200     1.200 peak    80 weight  0.10000E+01 volume  0.88324E+06 ppm1      7.998 ppm2      2.264
 ASSI {   81}
   (( segid "RPB1" and resid "53  " and name "HB1 "))
   (( segid "RPB1" and resid "53  " and name "HN  "))
      2.500     0.800     0.800 peak    81 weight  0.10000E+01 volume  0.31325E+07 ppm1      8.011 ppm2      1.949
 ASSI {   82}
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
   (( segid "RPB1" and resid "53  " and name "HN  "))
      3.000     1.100     1.100 peak    82 weight  0.10000E+01 volume  0.10844E+07 ppm1      8.000 ppm2      0.764
 OR {   82}
   (( segid "RPB1" and resid "52  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG12"))
   (( segid "RPB1" and resid "53  " and name "HN  "))
 ASSI {   83}
   (( segid "RPB1" and resid "51  " and name "HA  "))
   (( segid "RPB1" and resid "52  " and name "HN  "))
      2.600     2.600     1.900 peak    83 weight  0.10000E+01 volume  0.23751E+07 ppm1      7.615 ppm2      4.421
 ASSI {   84}
   (( segid "RPB1" and resid "52  " and name "HA  "))
   (( segid "RPB1" and resid "52  " and name "HN  "))
      2.700     0.900     0.900 peak    84 weight  0.10000E+01 volume  0.21770E+07 ppm1      7.609 ppm2      3.590
 ASSI {   85}
   (( segid "RPB1" and resid "52  " and name "HB  "))
   (( segid "RPB1" and resid "52  " and name "HN  "))
      2.700     0.900     0.900 peak    85 weight  0.10000E+01 volume  0.19125E+07 ppm1      7.611 ppm2      1.988
 ASSI {   86}
   (( segid "RPB1" and resid "52  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG12"))
   (( segid "RPB1" and resid "52  " and name "HN  "))
      2.300     0.700     0.700 peak    86 weight  0.10000E+01 volume  0.52935E+07 ppm1      7.607 ppm2      0.776
 OR {   86}
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
   (( segid "RPB1" and resid "52  " and name "HN  "))
 ASSI {   87}
   (( segid "RPB1" and resid "51  " and name "HB1 "))
   (( segid "RPB1" and resid "51  " and name "HN  "))
      3.000     1.100     1.100 peak    87 weight  0.10000E+01 volume  0.10728E+07 ppm1      7.695 ppm2      3.128
 ASSI {   89}
   (( segid "RPB1" and resid "50  " and name "HA  "))
   (( segid "RPB1" and resid "50  " and name "HN  "))
      2.700     0.900     0.900 peak    89 weight  0.10000E+01 volume  0.20012E+07 ppm1      8.024 ppm2      4.266
 ASSI {   90}
   (( segid "RPB1" and resid "50  " and name "HB2 "))
   (( segid "RPB1" and resid "50  " and name "HN  "))
      2.400     0.700     0.700 peak    90 weight  0.10000E+01 volume  0.41080E+07 ppm1      8.025 ppm2      3.888
 OR {   90}
   (( segid "RPB1" and resid "50  " and name "HB1 "))
   (( segid "RPB1" and resid "50  " and name "HN  "))
 ASSI {   91}
   (( segid "RPB1" and resid "49  " and name "HA  "))
   (( segid "RPB1" and resid "50  " and name "HN  "))
      2.800     1.000     1.000 peak    91 weight  0.10000E+01 volume  0.15367E+07 ppm1      8.026 ppm2      3.712
 ASSI {   92}
   (( segid "RPB1" and resid "49  " and name "HB  "))
   (( segid "RPB1" and resid "50  " and name "HN  "))
      2.700     0.900     0.900 peak    92 weight  0.10000E+01 volume  0.20614E+07 ppm1      8.026 ppm2      1.664
 ASSI {   93}
   (( segid "RPB1" and resid "49  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG22"))
   (( segid "RPB1" and resid "50  " and name "HN  "))
      3.300     1.400     1.400 peak    93 weight  0.10000E+01 volume  0.61184E+06 ppm1      8.025 ppm2      0.846
 ASSI {   95}
   (( segid "RPB1" and resid "20  " and name "HA  "))
   (( segid "RPB1" and resid "20  " and name "HN  "))
      2.400     0.700     0.700 peak    95 weight  0.10000E+01 volume  0.37980E+07 ppm1      8.156 ppm2      3.926
 ASSI {   96}
   (( segid "RPB1" and resid "49  " and name "HA  "))
   (( segid "RPB1" and resid "49  " and name "HN  "))
      2.800     1.000     1.000 peak    96 weight  0.10000E+01 volume  0.17497E+07 ppm1      8.159 ppm2      3.693
 ASSI {   97}
   (( segid "RPB1" and resid "20  " and name "HB1 "))
   (( segid "RPB1" and resid "20  " and name "HN  "))
      2.600     0.800     0.800 peak    97 weight  0.10000E+01 volume  0.26028E+07 ppm1      8.159 ppm2      3.044
 ASSI {   98}
   (( segid "RPB1" and resid "20  " and name "HB2 "))
   (( segid "RPB1" and resid "20  " and name "HN  "))
      2.600     0.800     0.800 peak    98 weight  0.10000E+01 volume  0.27232E+07 ppm1      8.158 ppm2      2.826
 ASSI {  102}
   (( segid "RPB1" and resid "48  " and name "HG  "))
   (( segid "RPB1" and resid "49  " and name "HN  "))
      2.900     1.100     1.100 peak   102 weight  0.10000E+01 volume  0.13668E+07 ppm1      8.159 ppm2      1.330
 ASSI {  106}
   (( segid "RPB1" and resid "48  " and name "HA  "))
   (( segid "RPB1" and resid "48  " and name "HN  "))
      2.800     1.000     1.000 peak   106 weight  0.10000E+01 volume  0.16251E+07 ppm1      7.490 ppm2      3.872
 ASSI {  107}
   (( segid "RPB1" and resid "47  " and name "HB2 "))
   (( segid "RPB1" and resid "48  " and name "HN  "))
      2.900     1.100     1.100 peak   107 weight  0.10000E+01 volume  0.12870E+07 ppm1      7.479 ppm2      2.381
 ASSI {  108}
   (( segid "RPB1" and resid "47  " and name "HB1 "))
   (( segid "RPB1" and resid "48  " and name "HN  "))
      2.800     1.000     1.000 peak   108 weight  0.10000E+01 volume  0.16233E+07 ppm1      7.480 ppm2      2.156
 ASSI {  109}
   (( segid "RPB1" and resid "48  " and name "HG  "))
   (( segid "RPB1" and resid "48  " and name "HN  "))
      2.300     0.700     0.700 peak   109 weight  0.10000E+01 volume  0.48825E+07 ppm1      7.486 ppm2      1.335
 ASSI {  110}
   (( segid "RPB1" and resid "48  " and name "HB2 "))
   (( segid "RPB1" and resid "48  " and name "HN  "))
      2.700     0.900     0.900 peak   110 weight  0.10000E+01 volume  0.21367E+07 ppm1      7.490 ppm2      0.937
 ASSI {  111}
   (( segid "RPB1" and resid "47  " and name "HA  "))
   (( segid "RPB1" and resid "47  " and name "HN  "))
      3.000     1.100     1.100 peak   111 weight  0.10000E+01 volume  0.10055E+07 ppm1      7.777 ppm2      4.197
 ASSI {  112}
   (( segid "RPB1" and resid "43  " and name "HA  "))
   (( segid "RPB1" and resid "43  " and name "HN  "))
      2.300     0.700     0.700 peak   112 weight  0.10000E+01 volume  0.53994E+07 ppm1      7.778 ppm2      4.044
 ASSI {  115}
   (( segid "RPB1" and resid "43  " and name "HB2 "))
   (( segid "RPB1" and resid "43  " and name "HN  "))
      2.600     0.800     0.800 peak   115 weight  0.10000E+01 volume  0.22366E+07 ppm1      7.779 ppm2      2.687
 ASSI {  116}
   (( segid "RPB1" and resid "47  " and name "HB2 "))
   (( segid "RPB1" and resid "47  " and name "HN  "))
      2.400     0.700     0.700 peak   116 weight  0.10000E+01 volume  0.43084E+07 ppm1      7.779 ppm2      2.362
 ASSI {  123}
   (( segid "RPB1" and resid "46  " and name "HG1 "))
   (( segid "RPB1" and resid "46  " and name "HN  "))
      2.000     0.500     0.500 peak   123 weight  0.10000E+01 volume  0.10890E+08 ppm1      8.026 ppm2      1.548
 ASSI {  125}
   (( segid "RPB1" and resid "46  " and name "HB2 "))
   (( segid "RPB1" and resid "46  " and name "HN  "))
      2.000     0.500     0.500 peak   125 weight  0.10000E+01 volume  0.12072E+08 ppm1      8.024 ppm2      1.650
 ASSI {  127}
   (( segid "RPB1" and resid "44  " and name "HB2 "))
   (( segid "RPB1" and resid "45  " and name "HN  "))
      2.500     0.800     0.800 peak   127 weight  0.10000E+01 volume  0.33628E+07 ppm1      7.627 ppm2      2.689
 ASSI {  128}
   (( segid "RPB1" and resid "45  " and name "HB1 "))
   (( segid "RPB1" and resid "45  " and name "HN  "))
      2.500     2.500     2.000 peak   128 weight  0.10000E+01 volume  0.28362E+07 ppm1      7.626 ppm2      1.791
 ASSI {  129}
   (( segid "RPB1" and resid "45  " and name "HG2 "))
   (( segid "RPB1" and resid "45  " and name "HN  "))
      2.100     0.600     0.600 peak   129 weight  0.10000E+01 volume  0.77614E+07 ppm1      7.628 ppm2      1.637
 OR {  129}
   (( segid "RPB1" and resid "45  " and name "HG1 "))
   (( segid "RPB1" and resid "45  " and name "HN  "))
 ASSI {  133}
   (( segid "RPB1" and resid "44  " and name "HB2 "))
   (( segid "RPB1" and resid "44  " and name "HN  "))
      2.200     0.600     0.600 peak   133 weight  0.10000E+01 volume  0.61728E+07 ppm1      7.278 ppm2      2.699
 OR {  133}
   (( segid "RPB1" and resid "44  " and name "HB1 "))
   (( segid "RPB1" and resid "44  " and name "HN  "))
 ASSI {  135}
   (( segid "RPB1" and resid "41  " and name "HB2 "))
   (( segid "RPB1" and resid "44  " and name "HN  "))
      2.900     1.100     1.100 peak   135 weight  0.10000E+01 volume  0.11901E+07 ppm1      7.279 ppm2      2.076
 ASSI {  136}
   (( segid "RPB1" and resid "41  " and name "HA  "))
   (( segid "RPB1" and resid "41  " and name "HN  "))
      2.600     0.800     0.800 peak   136 weight  0.10000E+01 volume  0.26444E+07 ppm1      7.707 ppm2      4.348
 ASSI {  137}
   (( segid "RPB1" and resid "41  " and name "HB1 "))
   (( segid "RPB1" and resid "41  " and name "HN  "))
      3.300     1.400     1.400 peak   137 weight  0.10000E+01 volume  0.64012E+06 ppm1      7.715 ppm2      2.295
 ASSI {  138}
   (( segid "RPB1" and resid "41  " and name "HB2 "))
   (( segid "RPB1" and resid "41  " and name "HN  "))
      2.800     1.000     1.000 peak   138 weight  0.10000E+01 volume  0.14598E+07 ppm1      7.712 ppm2      2.076
 ASSI {  139}
   (( segid "RPB1" and resid "41  " and name "HG2 "))
   (( segid "RPB1" and resid "41  " and name "HN  "))
      2.600     0.800     0.800 peak   139 weight  0.10000E+01 volume  0.25984E+07 ppm1      7.714 ppm2      1.776
 OR {  139}
   (( segid "RPB1" and resid "41  " and name "HG1 "))
   (( segid "RPB1" and resid "41  " and name "HN  "))
 ASSI {  140}
   (( segid "RPB1" and resid "39  " and name "HA  "))
   (( segid "RPB1" and resid "39  " and name "HN  "))
      2.800     1.000     1.000 peak   140 weight  0.10000E+01 volume  0.15134E+07 ppm1      7.486 ppm2      4.340
 ASSI {  142}
   (( segid "RPB1" and resid "38  " and name "HA2 "))
   (( segid "RPB1" and resid "39  " and name "HN  "))
      3.100     1.200     1.200 peak   142 weight  0.10000E+01 volume  0.79365E+06 ppm1      7.483 ppm2      3.652
 ASSI {  143}
   (( segid "RPB1" and resid "37  " and name "HB2 "))
   (( segid "RPB1" and resid "39  " and name "HN  "))
      3.100     1.200     1.200 peak   143 weight  0.10000E+01 volume  0.79983E+06 ppm1      7.478 ppm2      1.773
 ASSI {  144}
   (( segid "RPB1" and resid "39  " and name "HB2 "))
   (( segid "RPB1" and resid "39  " and name "HN  "))
      2.800     1.000     1.000 peak   144 weight  0.10000E+01 volume  0.14167E+07 ppm1      7.488 ppm2      1.227
 ASSI {  145}
   (( segid "RPB1" and resid "39  " and name "HG  "))
   (( segid "RPB1" and resid "39  " and name "HN  "))
      2.300     0.700     0.700 peak   145 weight  0.10000E+01 volume  0.48112E+07 ppm1      7.486 ppm2      1.039
 ASSI {  146}
   (( segid "RPB1" and resid "27  " and name "HA1 "))
   (( segid "RPB1" and resid "27  " and name "HN  "))
      2.700     0.900     0.900 peak   146 weight  0.10000E+01 volume  0.19225E+07 ppm1      7.717 ppm2      4.359
 ASSI {  147}
   (( segid "RPB1" and resid "38  " and name "HA1 "))
   (( segid "RPB1" and resid "38  " and name "HN  "))
      2.500     0.800     0.800 peak   147 weight  0.10000E+01 volume  0.35008E+07 ppm1      7.766 ppm2      4.143
 ASSI {  151}
   (( segid "RPB1" and resid "37  " and name "HG  "))
   (( segid "RPB1" and resid "37  " and name "HN  "))
      2.400     0.700     0.700 peak   151 weight  0.10000E+01 volume  0.37852E+07 ppm1      8.215 ppm2      2.103
 ASSI {  152}
   (( segid "RPB1" and resid "37  " and name "HB2 "))
   (( segid "RPB1" and resid "37  " and name "HN  "))
      2.400     0.700     0.700 peak   152 weight  0.10000E+01 volume  0.35471E+07 ppm1      8.216 ppm2      1.772
 ASSI {  153}
   (( segid "RPB1" and resid "37  " and name "HB1 "))
   (( segid "RPB1" and resid "37  " and name "HN  "))
      2.800     1.000     1.000 peak   153 weight  0.10000E+01 volume  0.14759E+07 ppm1      8.216 ppm2      1.510
 ASSI {  156}
   (( segid "RPB1" and resid "36  " and name "HB2 "))
   (( segid "RPB1" and resid "37  " and name "HN  "))
      2.700     0.900     0.900 peak   156 weight  0.10000E+01 volume  0.20972E+07 ppm1      8.218 ppm2      2.785
 ASSI {  157}
   (( segid "RPB1" and resid "37  " and name "HA  "))
   (( segid "RPB1" and resid "37  " and name "HN  "))
      2.700     0.900     0.900 peak   157 weight  0.10000E+01 volume  0.21499E+07 ppm1      8.216 ppm2      4.217
 ASSI {  158}
   (( segid "RPB1" and resid "34  " and name "HA  "))
   (( segid "RPB1" and resid "37  " and name "HN  "))
      3.400     1.400     1.400 peak   158 weight  0.10000E+01 volume  0.48615E+06 ppm1      8.211 ppm2      3.865
 ASSI {  159}
   (( segid "RPB1" and resid "36  " and name "HA  "))
   (( segid "RPB1" and resid "36  " and name "HN  "))
      2.800     1.000     1.000 peak   159 weight  0.10000E+01 volume  0.15868E+07 ppm1      8.098 ppm2      4.468
 ASSI {  161}
   (( segid "RPB1" and resid "33  " and name "HA  "))
   (( segid "RPB1" and resid "36  " and name "HN  "))
      3.100     1.200     1.200 peak   161 weight  0.10000E+01 volume  0.85911E+06 ppm1      8.103 ppm2      3.391
 ASSI {  163}
   (( segid "RPB1" and resid "36  " and name "HB2 "))
   (( segid "RPB1" and resid "36  " and name "HN  "))
      2.000     0.500     0.500 peak   163 weight  0.10000E+01 volume  0.10937E+08 ppm1      8.100 ppm2      2.755
 ASSI {  164}
   (( segid "RPB1" and resid "35  " and name "HA  "))
   (( segid "RPB1" and resid "35  " and name "HN  "))
      2.900     1.100     1.100 peak   164 weight  0.10000E+01 volume  0.12391E+07 ppm1      7.835 ppm2      4.192
 ASSI {  165}
   (( segid "RPB1" and resid "35  " and name "HB2 "))
   (( segid "RPB1" and resid "35  " and name "HN  "))
      2.300     0.700     0.700 peak   165 weight  0.10000E+01 volume  0.47158E+07 ppm1      7.841 ppm2      2.877
 ASSI {  166}
   (( segid "RPB1" and resid "35  " and name "HB1 "))
   (( segid "RPB1" and resid "35  " and name "HN  "))
      2.500     0.800     0.800 peak   166 weight  0.10000E+01 volume  0.28868E+07 ppm1      7.836 ppm2      2.713
 ASSI {  167}
   (( segid "RPB1" and resid "34  " and name "HB2 "))
   (( segid "RPB1" and resid "35  " and name "HN  "))
      2.500     0.800     0.800 peak   167 weight  0.10000E+01 volume  0.31828E+07 ppm1      7.844 ppm2      1.880
 ASSI {  168}
   (( segid "RPB1" and resid "34  " and name "HB1 "))
   (( segid "RPB1" and resid "35  " and name "HN  "))
      2.700     0.900     0.900 peak   168 weight  0.10000E+01 volume  0.21562E+07 ppm1      7.834 ppm2      1.352
 ASSI {  169}
   (( segid "RPB1" and resid "34  " and name "HA  "))
   (( segid "RPB1" and resid "35  " and name "HN  "))
      3.300     1.400     1.400 peak   169 weight  0.10000E+01 volume  0.57006E+06 ppm1      7.843 ppm2      3.855
 ASSI {  171}
   (( segid "RPB1" and resid "33  " and name "HB  "))
   (( segid "RPB1" and resid "34  " and name "HN  "))
      2.100     0.600     0.600 peak   171 weight  0.10000E+01 volume  0.95085E+07 ppm1      8.346 ppm2      2.004
 ASSI {  172}
   (( segid "RPB1" and resid "34  " and name "HB1 "))
   (( segid "RPB1" and resid "34  " and name "HN  "))
      2.700     0.900     0.900 peak   172 weight  0.10000E+01 volume  0.20080E+07 ppm1      8.348 ppm2      1.351
 ASSI {  175}
   (( segid "RPB1" and resid "34  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD22"))
   (( segid "RPB1" and resid "34  " and name "HN  "))
      3.100     1.200     1.200 peak   175 weight  0.10000E+01 volume  0.92751E+06 ppm1      8.346 ppm2      0.603
 ASSI {  178}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "33  " and name "HN  "))
      2.300     0.700     0.700 peak   178 weight  0.10000E+01 volume  0.56763E+07 ppm1      8.104 ppm2      0.756
 ASSI {  179}
   (( segid "RPB1" and resid "33  " and name "HB  "))
   (( segid "RPB1" and resid "33  " and name "HN  "))
      2.300     0.700     0.700 peak   179 weight  0.10000E+01 volume  0.49939E+07 ppm1      8.104 ppm2      2.023
 ASSI {  183}
   (( segid "RPB1" and resid "33  " and name "HA  "))
   (( segid "RPB1" and resid "33  " and name "HN  "))
      2.700     0.900     0.900 peak   183 weight  0.10000E+01 volume  0.17586E+07 ppm1      8.102 ppm2      3.398
 ASSI {  184}
   (( segid "RPB1" and resid "30  " and name "HA  "))
   (( segid "RPB1" and resid "33  " and name "HN  "))
      2.900     1.100     1.100 peak   184 weight  0.10000E+01 volume  0.12585E+07 ppm1      8.107 ppm2      3.854
 ASSI {  185}
   (( segid "RPB1" and resid "32  " and name "HB2 "))
   (( segid "RPB1" and resid "33  " and name "HN  "))
      2.500     0.800     0.800 peak   185 weight  0.10000E+01 volume  0.30251E+07 ppm1      8.105 ppm2      2.887
 ASSI {  186}
   (( segid "RPB1" and resid "32  " and name "HB1 "))
   (( segid "RPB1" and resid "33  " and name "HN  "))
      2.500     0.800     0.800 peak   186 weight  0.10000E+01 volume  0.30650E+07 ppm1      8.109 ppm2      2.796
 ASSI {  187}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "32  " and name "HN  "))
      2.600     2.600     1.900 peak   187 weight  0.10000E+01 volume  0.23260E+07 ppm1      7.267 ppm2      0.745
 ASSI {  189}
   (( segid "RPB1" and resid "31  " and name "HB2 "))
   (( segid "RPB1" and resid "32  " and name "HN  "))
      2.600     0.800     0.800 peak   189 weight  0.10000E+01 volume  0.27416E+07 ppm1      7.258 ppm2      1.773
 ASSI {  190}
   (( segid "RPB1" and resid "29  " and name "HB1 "))
   (( segid "RPB1" and resid "32  " and name "HN  "))
      2.100     0.600     0.600 peak   190 weight  0.10000E+01 volume  0.78052E+07 ppm1      7.258 ppm2      2.858
 ASSI {  191}
   (( segid "RPB1" and resid "29  " and name "HB2 "))
   (( segid "RPB1" and resid "32  " and name "HN  "))
      3.300     1.400     1.400 peak   191 weight  0.10000E+01 volume  0.59870E+06 ppm1      7.258 ppm2      2.645
 ASSI {  193}
   (( segid "RPB1" and resid "32  " and name "HA  "))
   (( segid "RPB1" and resid "32  " and name "HN  "))
      2.900     1.100     1.100 peak   193 weight  0.10000E+01 volume  0.13114E+07 ppm1      7.257 ppm2      4.364
 ASSI {  194}
   (( segid "RPB1" and resid "30  " and name "HB2 "))
   (( segid "RPB1" and resid "31  " and name "HN  "))
      2.300     0.700     0.700 peak   194 weight  0.10000E+01 volume  0.47126E+07 ppm1      8.254 ppm2      1.986
 ASSI {  195}
   (( segid "RPB1" and resid "31  " and name "HB2 "))
   (( segid "RPB1" and resid "31  " and name "HN  "))
      2.100     0.600     0.600 peak   195 weight  0.10000E+01 volume  0.94864E+07 ppm1      8.255 ppm2      1.777
 ASSI {  196}
   (( segid "RPB1" and resid "31  " and name "HG1 "))
   (( segid "RPB1" and resid "31  " and name "HN  "))
      3.100     1.200     1.200 peak   196 weight  0.10000E+01 volume  0.84459E+06 ppm1      8.254 ppm2      1.403
 ASSI {  200}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "29  " and name "HN  "))
      3.300     1.400     1.400 peak   200 weight  0.10000E+01 volume  0.62668E+06 ppm1      8.913 ppm2      0.748
 ASSI {  201}
   (( segid "RPB1" and resid "28  " and name "HB1 "))
   (( segid "RPB1" and resid "29  " and name "HN  "))
      2.500     0.800     0.800 peak   201 weight  0.10000E+01 volume  0.30927E+07 ppm1      8.915 ppm2      1.849
 ASSI {  202}
   (( segid "RPB1" and resid "28  " and name "HB2 "))
   (( segid "RPB1" and resid "29  " and name "HN  "))
      3.100     1.200     1.200 peak   202 weight  0.10000E+01 volume  0.79855E+06 ppm1      8.917 ppm2      1.367
 ASSI {  204}
   (( segid "RPB1" and resid "29  " and name "HB2 "))
   (( segid "RPB1" and resid "29  " and name "HN  "))
      2.400     0.700     0.700 peak   204 weight  0.10000E+01 volume  0.43393E+07 ppm1      8.915 ppm2      2.635
 ASSI {  205}
   (( segid "RPB1" and resid "28  " and name "HA  "))
   (( segid "RPB1" and resid "29  " and name "HN  "))
      2.200     0.600     0.600 peak   205 weight  0.10000E+01 volume  0.68713E+07 ppm1      8.915 ppm2      4.137
 ASSI {  207}
   (( segid "RPB1" and resid "28  " and name "HB2 "))
   (( segid "RPB1" and resid "28  " and name "HN  "))
      2.400     0.700     0.700 peak   207 weight  0.10000E+01 volume  0.40581E+07 ppm1      7.675 ppm2      1.368
 ASSI {  208}
   (( segid "RPB1" and resid "28  " and name "HG2 "))
   (( segid "RPB1" and resid "28  " and name "HN  "))
      2.600     0.800     0.800 peak   208 weight  0.10000E+01 volume  0.23591E+07 ppm1      7.674 ppm2      2.256
 ASSI {  209}
   (( segid "RPB1" and resid "28  " and name "HG1 "))
   (( segid "RPB1" and resid "28  " and name "HN  "))
      3.000     1.100     1.100 peak   209 weight  0.10000E+01 volume  0.10863E+07 ppm1      7.676 ppm2      2.082
 ASSI {  211}
   (( segid "RPB1" and resid "28  " and name "HA  "))
   (( segid "RPB1" and resid "28  " and name "HN  "))
      2.500     0.800     0.800 peak   211 weight  0.10000E+01 volume  0.27790E+07 ppm1      7.672 ppm2      4.133
 ASSI {  212}
   (( segid "RPB1" and resid "24  " and name "HA  "))
   (( segid "RPB1" and resid "28  " and name "HN  "))
      2.400     0.700     0.700 peak   212 weight  0.10000E+01 volume  0.39256E+07 ppm1      7.674 ppm2      4.024
 ASSI {  213}
   (( segid "RPB1" and resid "27  " and name "HA2 "))
   (( segid "RPB1" and resid "28  " and name "HN  "))
      3.400     1.400     1.400 peak   213 weight  0.10000E+01 volume  0.49419E+06 ppm1      7.686 ppm2      3.689
 ASSI {  214}
   (( segid "RPB1" and resid "25  " and name "HB1 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB3 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB2 "))
   (( segid "RPB1" and resid "26  " and name "HN  "))
      2.500     0.800     0.800 peak   214 weight  0.10000E+01 volume  0.27755E+07 ppm1      7.436 ppm2      1.469
 ASSI {  215}
   (( segid "RPB1" and resid "26  " and name "HB2 "))
   (( segid "RPB1" and resid "26  " and name "HN  "))
      2.200     0.600     0.600 peak   215 weight  0.10000E+01 volume  0.76325E+07 ppm1      7.436 ppm2      2.791
 ASSI {  216}
   (( segid "RPB1" and resid "25  " and name "HA  "))
   (( segid "RPB1" and resid "26  " and name "HN  "))
      2.900     1.100     1.100 peak   216 weight  0.10000E+01 volume  0.12528E+07 ppm1      7.436 ppm2      4.140
 ASSI {  217}
   (( segid "RPB1" and resid "23  " and name "HA  "))
   (( segid "RPB1" and resid "26  " and name "HN  "))
      2.800     1.000     1.000 peak   217 weight  0.10000E+01 volume  0.14205E+07 ppm1      7.436 ppm2      3.977
 ASSI {  219}
   (( segid "RPB1" and resid "25  " and name "HB1 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB3 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB2 "))
   (( segid "RPB1" and resid "25  " and name "HN  "))
      2.200     0.600     0.600 peak   219 weight  0.10000E+01 volume  0.64122E+07 ppm1      7.996 ppm2      1.473
 ASSI {  220}
   (( segid "RPB1" and resid "24  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG12"))
   (( segid "RPB1" and resid "25  " and name "HN  "))
      3.000     1.100     1.100 peak   220 weight  0.10000E+01 volume  0.98212E+06 ppm1      7.991 ppm2      0.764
 ASSI {  221}
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
   (( segid "RPB1" and resid "25  " and name "HN  "))
      3.400     1.400     1.400 peak   221 weight  0.10000E+01 volume  0.51020E+06 ppm1      7.991 ppm2      0.392
 ASSI {  222}
   (( segid "RPB1" and resid "25  " and name "HA  "))
   (( segid "RPB1" and resid "25  " and name "HN  "))
      2.700     0.900     0.900 peak   222 weight  0.10000E+01 volume  0.19239E+07 ppm1      7.992 ppm2      4.138
 ASSI {  224}
   (( segid "RPB1" and resid "22  " and name "HA  "))
   (( segid "RPB1" and resid "25  " and name "HN  "))
      3.000     1.100     1.100 peak   224 weight  0.10000E+01 volume  0.10881E+07 ppm1      7.998 ppm2      3.930
 ASSI {  226}
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
   (( segid "RPB1" and resid "24  " and name "HN  "))
      2.300     0.700     0.700 peak   226 weight  0.10000E+01 volume  0.49788E+07 ppm1      8.176 ppm2      0.390
 ASSI {  227}
   (( segid "RPB1" and resid "30  " and name "HG1 "))
   (( segid "RPB1" and resid "24  " and name "HN  "))
      2.600     2.600     1.900 peak   227 weight  0.10000E+01 volume  0.23562E+07 ppm1      8.171 ppm2      1.959
 ASSI {  228}
   (( segid "RPB1" and resid "24  " and name "HB  "))
   (( segid "RPB1" and resid "24  " and name "HN  "))
      2.100     0.600     0.600 peak   228 weight  0.10000E+01 volume  0.77137E+07 ppm1      8.176 ppm2      1.720
 ASSI {  229}
   (( segid "RPB1" and resid "25  " and name "HB1 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB3 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB2 "))
   (( segid "RPB1" and resid "24  " and name "HN  "))
      2.300     2.300     2.200 peak   229 weight  0.10000E+01 volume  0.52379E+07 ppm1      8.177 ppm2      1.506
 ASSI {  230}
   (( segid "RPB1" and resid "24  " and name "HA  "))
   (( segid "RPB1" and resid "24  " and name "HN  "))
      2.300     0.700     0.700 peak   230 weight  0.10000E+01 volume  0.46912E+07 ppm1      8.174 ppm2      4.006
 ASSI {  237}
   (( segid "RPB1" and resid "25  " and name "HB1 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB3 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB2 "))
   (( segid "RPB1" and resid "23  " and name "HN  "))
      2.200     2.200     2.300 peak   237 weight  0.10000E+01 volume  0.73669E+07 ppm1      7.924 ppm2      1.521
 ASSI {  238}
   (( segid "RPB1" and resid "22  " and name "HB1 "))
   (( segid "RPB1" and resid "23  " and name "HN  "))
      1.900     0.500     0.500 peak   238 weight  0.10000E+01 volume  0.14658E+08 ppm1      7.924 ppm2      1.903
 ASSI {  239}
   (( segid "RPB1" and resid "23  " and name "HG1 "))
   (( segid "RPB1" and resid "23  " and name "HN  "))
      2.000     2.000     2.500 peak   239 weight  0.10000E+01 volume  0.12295E+08 ppm1      7.921 ppm2      2.021
 ASSI {  242}
   (( segid "RPB1" and resid "21  " and name "HB1 "))
   (( segid "RPB1" and resid "21  " and name "HN  "))
      2.200     0.600     0.600 peak   242 weight  0.10000E+01 volume  0.63928E+07 ppm1      8.488 ppm2      1.885
 OR {  242}
   (( segid "RPB1" and resid "21  " and name "HB2 "))
   (( segid "RPB1" and resid "21  " and name "HN  "))
 ASSI {  243}
   (( segid "RPB1" and resid "20  " and name "HA  "))
   (( segid "RPB1" and resid "21  " and name "HN  "))
      5.500     3.800     0.000 peak   243 weight  0.10000E+01 volume  0.28598E+05 ppm1      8.489 ppm2      3.958
 ASSI {  244}
   (( segid "RPB1" and resid "21  " and name "HA  "))
   (( segid "RPB1" and resid "21  " and name "HN  "))
      2.800     1.000     1.000 peak   244 weight  0.10000E+01 volume  0.16704E+07 ppm1      8.486 ppm2      3.597
 ASSI {  245}
   (( segid "RPB1" and resid "20  " and name "HB1 "))
   (( segid "RPB1" and resid "21  " and name "HN  "))
      2.700     0.900     0.900 peak   245 weight  0.10000E+01 volume  0.20941E+07 ppm1      8.487 ppm2      3.046
 ASSI {  246}
   (( segid "RPB1" and resid "20  " and name "HB2 "))
   (( segid "RPB1" and resid "21  " and name "HN  "))
      2.800     1.000     1.000 peak   246 weight  0.10000E+01 volume  0.15972E+07 ppm1      8.489 ppm2      2.826
 ASSI {  247}
   (( segid "RPB1" and resid "19  " and name "HB1 "))
   (( segid "RPB1" and resid "19  " and name "HN  "))
      2.300     0.700     0.700 peak   247 weight  0.10000E+01 volume  0.48507E+07 ppm1      8.390 ppm2      2.137
 ASSI {  248}
   (( segid "RPB1" and resid "19  " and name "HB2 "))
   (( segid "RPB1" and resid "19  " and name "HN  "))
      2.500     0.800     0.800 peak   248 weight  0.10000E+01 volume  0.30508E+07 ppm1      8.391 ppm2      1.929
 ASSI {  250}
   (( segid "RPB1" and resid "18  " and name "HB1 "))
   (( segid "RPB1" and resid "19  " and name "HN  "))
      2.500     0.800     0.800 peak   250 weight  0.10000E+01 volume  0.28807E+07 ppm1      8.389 ppm2      2.858
 OR {  250}
   (( segid "RPB1" and resid "18  " and name "HB2 "))
   (( segid "RPB1" and resid "19  " and name "HN  "))
 ASSI {  251}
   (( segid "RPB1" and resid "19  " and name "HA  "))
   (( segid "RPB1" and resid "19  " and name "HN  "))
      2.700     0.900     0.900 peak   251 weight  0.10000E+01 volume  0.20055E+07 ppm1      8.390 ppm2      4.102
 ASSI {  253}
   (( segid "RPB1" and resid "18  " and name "HA  "))
   (( segid "RPB1" and resid "18  " and name "HN  "))
      3.100     1.200     1.200 peak   253 weight  0.10000E+01 volume  0.87041E+06 ppm1      8.741 ppm2      4.399
 ASSI {  254}
   (( segid "RPB1" and resid "17  " and name "HB2 "))
   (( segid "RPB1" and resid "18  " and name "HN  "))
      3.200     1.300     1.300 peak   254 weight  0.10000E+01 volume  0.65933E+06 ppm1      8.742 ppm2      3.119
 OR {  254}
   (( segid "RPB1" and resid "17  " and name "HB1 "))
   (( segid "RPB1" and resid "18  " and name "HN  "))
 ASSI {  255}
   (( segid "RPB1" and resid "18  " and name "HB2 "))
   (( segid "RPB1" and resid "18  " and name "HN  "))
      2.600     0.800     0.800 peak   255 weight  0.10000E+01 volume  0.26520E+07 ppm1      8.743 ppm2      2.865
 ASSI {  257}
   (( segid "RPB1" and resid "14  " and name "HB2 "))
   (( segid "RPB1" and resid "17  " and name "HN  "))
      4.000     2.000     1.500 peak   257 weight  0.10000E+01 volume  0.18368E+06 ppm1      7.628 ppm2      3.384
 ASSI {  258}
   (( segid "RPB1" and resid "17  " and name "HB2 "))
   (( segid "RPB1" and resid "17  " and name "HN  "))
      2.200     0.600     0.600 peak   258 weight  0.10000E+01 volume  0.70988E+07 ppm1      7.623 ppm2      3.106
 ASSI {  259}
   (( segid "RPB1" and resid "16  " and name "HB2 "))
   (( segid "RPB1" and resid "17  " and name "HN  "))
      2.400     0.700     0.700 peak   259 weight  0.10000E+01 volume  0.42264E+07 ppm1      7.616 ppm2      2.778
 ASSI {  260}
   (( segid "RPB1" and resid "17  " and name "HA  "))
   (( segid "RPB1" and resid "17  " and name "HN  "))
      2.800     1.000     1.000 peak   260 weight  0.10000E+01 volume  0.14360E+07 ppm1      7.620 ppm2      4.069
 ASSI {  261}
   (( segid "RPB1" and resid "15  " and name "HB1 ")
     OR 
    ( segid "RPB1" and resid "15  " and name "HB3 ")
     OR 
    ( segid "RPB1" and resid "15  " and name "HB2 "))
   (( segid "RPB1" and resid "16  " and name "HN  "))
      2.700     0.900     0.900 peak   261 weight  0.10000E+01 volume  0.21743E+07 ppm1      7.275 ppm2      1.047
 ASSI {  262}
   (( segid "RPB1" and resid "16  " and name "HB1 "))
   (( segid "RPB1" and resid "16  " and name "HN  "))
      2.600     0.800     0.800 peak   262 weight  0.10000E+01 volume  0.22245E+07 ppm1      7.270 ppm2      3.125
 ASSI {  263}
   (( segid "RPB1" and resid "16  " and name "HB2 "))
   (( segid "RPB1" and resid "16  " and name "HN  "))
      2.600     0.800     0.800 peak   263 weight  0.10000E+01 volume  0.22915E+07 ppm1      7.275 ppm2      2.773
 ASSI {  265}
   (( segid "RPB1" and resid "16  " and name "HA  "))
   (( segid "RPB1" and resid "16  " and name "HN  "))
      2.600     0.800     0.800 peak   265 weight  0.10000E+01 volume  0.23125E+07 ppm1      7.267 ppm2      4.526
 ASSI {  267}
   (( segid "RPB1" and resid "14  " and name "HB1 "))
   (( segid "RPB1" and resid "14  " and name "HN  "))
      3.600     1.600     1.600 peak   267 weight  0.10000E+01 volume  0.35899E+06 ppm1      7.548 ppm2      3.772
 ASSI {  268}
   (( segid "RPB1" and resid "14  " and name "HB2 "))
   (( segid "RPB1" and resid "14  " and name "HN  "))
      4.000     2.000     1.500 peak   268 weight  0.10000E+01 volume  0.18805E+06 ppm1      7.545 ppm2      3.394
 ASSI {  269}
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
   (( segid "RPB1" and resid "13  " and name "HN  "))
      2.700     0.900     0.900 peak   269 weight  0.10000E+01 volume  0.19128E+07 ppm1      8.448 ppm2      0.912
 ASSI {  270}
   (( segid "RPB1" and resid "13  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG22"))
   (( segid "RPB1" and resid "13  " and name "HN  "))
      2.600     0.800     0.800 peak   270 weight  0.10000E+01 volume  0.26755E+07 ppm1      8.447 ppm2      0.599
 ASSI {  271}
   (( segid "RPB1" and resid "12  " and name "HA  "))
   (( segid "RPB1" and resid "13  " and name "HN  "))
      2.100     0.600     0.600 peak   271 weight  0.10000E+01 volume  0.89900E+07 ppm1      8.443 ppm2      4.761
 ASSI {  273}
   (( segid "RPB1" and resid "11  " and name "HB2 "))
   (( segid "RPB1" and resid "11  " and name "HN  "))
      2.100     0.600     0.600 peak   273 weight  0.10000E+01 volume  0.78740E+07 ppm1      8.594 ppm2      1.920
 ASSI {  274}
   (( segid "RPB1" and resid "11  " and name "HD2 "))
   (( segid "RPB1" and resid "11  " and name "HN  "))
      3.000     1.100     1.100 peak   274 weight  0.10000E+01 volume  0.98473E+06 ppm1      8.595 ppm2      1.469
 OR {  274}
   (( segid "RPB1" and resid "11  " and name "HD1 "))
   (( segid "RPB1" and resid "11  " and name "HN  "))
 ASSI {  275}
   (( segid "RPB1" and resid "10  " and name "HA2 "))
   (( segid "RPB1" and resid "11  " and name "HN  "))
      3.000     1.100     1.100 peak   275 weight  0.10000E+01 volume  0.10287E+07 ppm1      8.587 ppm2      3.775
 ASSI {  276}
   (( segid "RPB1" and resid "9   " and name "HB1 "))
   (( segid "RPB1" and resid "11  " and name "HN  "))
      2.400     2.400     2.100 peak   276 weight  0.10000E+01 volume  0.38424E+07 ppm1      8.594 ppm2      3.122
 ASSI {  277}
   (( segid "RPB1" and resid "11  " and name "HA  "))
   (( segid "RPB1" and resid "11  " and name "HN  "))
      3.000     1.100     1.100 peak   277 weight  0.10000E+01 volume  0.11328E+07 ppm1      8.592 ppm2      4.474
 ASSI {  278}
   (( segid "RPB1" and resid "10  " and name "HA1 "))
   (( segid "RPB1" and resid "11  " and name "HN  "))
      3.300     1.400     1.400 peak   278 weight  0.10000E+01 volume  0.59036E+06 ppm1      8.592 ppm2      4.184
 ASSI {  279}
   (( segid "RPB1" and resid "9   " and name "HB1 "))
   (( segid "RPB1" and resid "10  " and name "HN  "))
      2.600     2.600     1.900 peak   279 weight  0.10000E+01 volume  0.25920E+07 ppm1      7.651 ppm2      3.141
 ASSI {  280}
   (( segid "RPB1" and resid "10  " and name "HA2 "))
   (( segid "RPB1" and resid "10  " and name "HN  "))
      2.200     0.600     0.600 peak   280 weight  0.10000E+01 volume  0.60086E+07 ppm1      7.653 ppm2      3.781
 ASSI {  281}
   (( segid "RPB1" and resid "10  " and name "HA1 "))
   (( segid "RPB1" and resid "10  " and name "HN  "))
      2.500     0.800     0.800 peak   281 weight  0.10000E+01 volume  0.31921E+07 ppm1      7.651 ppm2      4.175
 ASSI {  282}
   (( segid "RPB1" and resid "8   " and name "HB2 "))
   (( segid "RPB1" and resid "9   " and name "HN  "))
      2.400     0.700     0.700 peak   282 weight  0.10000E+01 volume  0.41710E+07 ppm1      8.327 ppm2      3.869
 ASSI {  283}
   (( segid "RPB1" and resid "9   " and name "HB1 "))
   (( segid "RPB1" and resid "9   " and name "HN  "))
      2.800     2.800     1.700 peak   283 weight  0.10000E+01 volume  0.14324E+07 ppm1      8.327 ppm2      3.118
 ASSI {  284}
   (( segid "RPB1" and resid "9   " and name "HB2 "))
   (( segid "RPB1" and resid "9   " and name "HN  "))
      2.900     1.100     1.100 peak   284 weight  0.10000E+01 volume  0.13666E+07 ppm1      8.325 ppm2      2.813
 ASSI {  286}
   (( segid "RPB1" and resid "9   " and name "HA  "))
   (( segid "RPB1" and resid "9   " and name "HN  "))
      3.200     1.300     1.300 peak   286 weight  0.10000E+01 volume  0.73738E+06 ppm1      8.325 ppm2      4.879
 ASSI {  287}
   (( segid "RPB1" and resid "7   " and name "HB2 "))
   (( segid "RPB1" and resid "8   " and name "HN  "))
      2.700     2.700     1.800 peak   287 weight  0.10000E+01 volume  0.21276E+07 ppm1      9.039 ppm2      1.761
 ASSI {  288}
   (( segid "RPB1" and resid "7   " and name "HA  "))
   (( segid "RPB1" and resid "8   " and name "HN  "))
      2.700     0.900     0.900 peak   288 weight  0.10000E+01 volume  0.20148E+07 ppm1      9.034 ppm2      4.096
 ASSI {  289}
   (( segid "RPB1" and resid "8   " and name "HB1 "))
   (( segid "RPB1" and resid "8   " and name "HN  "))
      2.400     0.700     0.700 peak   289 weight  0.10000E+01 volume  0.41030E+07 ppm1      9.047 ppm2      3.882
 OR {  289}
   (( segid "RPB1" and resid "8   " and name "HB2 "))
   (( segid "RPB1" and resid "8   " and name "HN  "))
 ASSI {  290}
   (( segid "RPB1" and resid "8   " and name "HA  "))
   (( segid "RPB1" and resid "8   " and name "HN  "))
      2.900     1.100     1.100 peak   290 weight  0.10000E+01 volume  0.13561E+07 ppm1      9.047 ppm2      4.577
 ASSI {  291}
   (( segid "RPB1" and resid "7   " and name "HB1 "))
   (( segid "RPB1" and resid "8   " and name "HN  "))
      3.000     1.100     1.100 peak   291 weight  0.10000E+01 volume  0.11135E+07 ppm1      9.037 ppm2      1.670
 ASSI {  293}
   (( segid "RPB1" and resid "7   " and name "HB2 "))
   (( segid "RPB1" and resid "7   " and name "HN  "))
      2.200     2.200     2.300 peak   293 weight  0.10000E+01 volume  0.66160E+07 ppm1      7.946 ppm2      1.753
 OR {  293}
   (( segid "RPB1" and resid "7   " and name "HG  "))
   (( segid "RPB1" and resid "7   " and name "HN  "))
 ASSI {  294}
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
   (( segid "RPB1" and resid "7   " and name "HN  "))
      3.000     1.100     1.100 peak   294 weight  0.10000E+01 volume  0.10306E+07 ppm1      7.942 ppm2      0.909
 ASSI {  295}
   (( segid "RPB1" and resid "6   " and name "HA  "))
   (( segid "RPB1" and resid "7   " and name "HN  "))
      2.100     0.600     0.600 peak   295 weight  0.10000E+01 volume  0.86269E+07 ppm1      7.945 ppm2      4.148
 ASSI {  296}
   (( segid "RPB1" and resid "7   " and name "HB1 "))
   (( segid "RPB1" and resid "7   " and name "HN  "))
      2.700     0.900     0.900 peak   296 weight  0.10000E+01 volume  0.20629E+07 ppm1      7.946 ppm2      1.661
 ASSI {  297}
   (( segid "RPB1" and resid "5   " and name "HG1 "))
   (( segid "RPB1" and resid "6   " and name "HN  "))
      2.500     0.800     0.800 peak   297 weight  0.10000E+01 volume  0.32757E+07 ppm1      8.799 ppm2      1.417
 OR {  297}
   (( segid "RPB1" and resid "5   " and name "HB1 "))
   (( segid "RPB1" and resid "6   " and name "HN  "))
 ASSI {  299}
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
   (( segid "RPB1" and resid "6   " and name "HN  "))
      3.000     1.100     1.100 peak   299 weight  0.10000E+01 volume  0.98189E+06 ppm1      8.796 ppm2      0.916
 ASSI {  301}
   (( segid "RPB1" and resid "6   " and name "HB2 "))
   (( segid "RPB1" and resid "6   " and name "HN  "))
      2.200     0.600     0.600 peak   301 weight  0.10000E+01 volume  0.74362E+07 ppm1      8.797 ppm2      3.114
 ASSI {  302}
   (( segid "RPB1" and resid "6   " and name "HA  "))
   (( segid "RPB1" and resid "6   " and name "HN  "))
      2.900     1.100     1.100 peak   302 weight  0.10000E+01 volume  0.13482E+07 ppm1      8.798 ppm2      4.158
 ASSI {  303}
   (( segid "RPB1" and resid "5   " and name "HA  "))
   (( segid "RPB1" and resid "6   " and name "HN  "))
      2.300     0.700     0.700 peak   303 weight  0.10000E+01 volume  0.49975E+07 ppm1      8.796 ppm2      4.896
 ASSI {  304}
   (( segid "RPB1" and resid "4   " and name "HG11")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG13")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG12"))
   (( segid "RPB1" and resid "5   " and name "HN  "))
      2.600     0.800     0.800 peak   304 weight  0.10000E+01 volume  0.24090E+07 ppm1      7.861 ppm2      0.856
 ASSI {  305}
   (( segid "RPB1" and resid "5   " and name "HB2 "))
   (( segid "RPB1" and resid "5   " and name "HN  "))
      2.600     0.800     0.800 peak   305 weight  0.10000E+01 volume  0.26980E+07 ppm1      7.856 ppm2      1.406
 ASSI {  306}
   (( segid "RPB1" and resid "4   " and name "HB  "))
   (( segid "RPB1" and resid "5   " and name "HN  "))
      3.400     1.400     1.400 peak   306 weight  0.10000E+01 volume  0.49248E+06 ppm1      7.853 ppm2      1.882
 ASSI {  307}
   (( segid "RPB1" and resid "4   " and name "HA  "))
   (( segid "RPB1" and resid "5   " and name "HN  "))
      2.600     2.600     1.900 peak   307 weight  0.10000E+01 volume  0.23072E+07 ppm1      7.860 ppm2      3.957
 ASSI {  308}
   (( segid "RPB1" and resid "5   " and name "HA  "))
   (( segid "RPB1" and resid "5   " and name "HN  "))
      3.100     1.200     1.200 peak   308 weight  0.10000E+01 volume  0.86529E+06 ppm1      7.864 ppm2      4.909
 ASSI {  310}
   (( segid "RPB1" and resid "3   " and name "HA  "))
   (( segid "RPB1" and resid "4   " and name "HN  "))
      2.400     0.700     0.700 peak   310 weight  0.10000E+01 volume  0.44730E+07 ppm1      7.955 ppm2      4.262
 ASSI {  312}
   (( segid "RPB1" and resid "3   " and name "HB2 "))
   (( segid "RPB1" and resid "4   " and name "HN  "))
      4.800     2.900     0.700 peak   312 weight  0.10000E+01 volume  0.61657E+05 ppm1      7.956 ppm2      3.761
 OR {  312}
   (( segid "RPB1" and resid "3   " and name "HB1 "))
   (( segid "RPB1" and resid "4   " and name "HN  "))
 ASSI {  315}
   (( segid "RPB1" and resid "2   " and name "HB  "))
   (( segid "RPB1" and resid "2   " and name "HN  "))
      2.900     1.100     1.100 peak   315 weight  0.10000E+01 volume  0.12018E+07 ppm1      7.979 ppm2      1.558
 ASSI {  317}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "2   " and name "HN  "))
      3.000     3.000     1.500 peak   317 weight  0.10000E+01 volume  0.98718E+06 ppm1      7.979 ppm2      0.985
 ASSI {  318}
   (( segid "RPB1" and resid "2   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG22"))
   (( segid "RPB1" and resid "2   " and name "HN  "))
      2.700     2.700     1.800 peak   318 weight  0.10000E+01 volume  0.18388E+07 ppm1      7.983 ppm2      0.691
 ASSI {  321}
   (( segid "RPB1" and resid "26  " and name "HB2 "))
   (( segid "RPB1" and resid "27  " and name "HN  "))
      2.600     0.800     0.800 peak   321 weight  0.10000E+01 volume  0.23708E+07 ppm1      7.715 ppm2      2.801
 ASSI {  322}
   (( segid "RPB1" and resid "37  " and name "HB1 "))
   (( segid "RPB1" and resid "38  " and name "HN  "))
      3.100     1.200     1.200 peak   322 weight  0.10000E+01 volume  0.93059E+06 ppm1      7.742 ppm2      1.489
 ASSI {  324}
   (( segid "RPB1" and resid "35  " and name "HA  "))
   (( segid "RPB1" and resid "36  " and name "HN  "))
      4.400     2.400     1.100 peak   324 weight  0.10000E+01 volume  0.10145E+06 ppm1      8.108 ppm2      4.186
 ASSI {  325}
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
   (( segid "RPB1" and resid "39  " and name "HN  "))
      2.900     1.100     1.100 peak   325 weight  0.10000E+01 volume  0.13421E+07 ppm1      7.476 ppm2      0.437
 ASSI {  327}
   (( segid "RPB1" and resid "34  " and name "HB2 "))
   (( segid "RPB1" and resid "34  " and name "HN  "))
      2.000     0.500     0.500 peak   327 weight  0.10000E+01 volume  0.11002E+08 ppm1      8.348 ppm2      1.901
 ASSI {  328}
   (( segid "RPB1" and resid "55  " and name "HD1 "))
   (( segid "RPB1" and resid "55  " and name "HE1 "))
      2.800     1.000     1.000 peak   328 weight  0.10000E+01 volume  0.17366E+07 ppm1     10.020 ppm2      7.093
 ASSI {  330}
   (( segid "RPB1" and resid "55  " and name "HZ2 "))
   (( segid "RPB1" and resid "55  " and name "HE1 "))
      4.100     2.100     1.400 peak   330 weight  0.10000E+01 volume  0.15505E+06 ppm1     10.031 ppm2      7.372
 ASSI {  331}
   (( segid "RPB1" and resid "54  " and name "HA  "))
   (( segid "RPB1" and resid "55  " and name "HN  "))
      3.200     1.300     1.300 peak   331 weight  0.10000E+01 volume  0.75249E+06 ppm1      7.589 ppm2      4.309
 ASSI {  333}
   (( segid "RPB1" and resid "1   " and name "HA  "))
   (( segid "RPB1" and resid "2   " and name "HN  "))
      2.500     0.800     0.800 peak   333 weight  0.10000E+01 volume  0.32130E+07 ppm1      7.979 ppm2      4.388
 ASSI {  336}
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
   (( segid "RPB1" and resid "7   " and name "HN  "))
      3.300     1.400     1.400 peak   336 weight  0.10000E+01 volume  0.62509E+06 ppm1      7.937 ppm2      1.958
 ASSI {  337}
   (( segid "RPB1" and resid "48  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD12"))
   (( segid "RPB1" and resid "8   " and name "HN  "))
      2.900     2.900     1.600 peak   337 weight  0.10000E+01 volume  0.11860E+07 ppm1      9.051 ppm2      0.542
 ASSI {  339}
   (( segid "RPB1" and resid "11  " and name "HB2 "))
   (( segid "RPB1" and resid "10  " and name "HN  "))
      3.000     3.000     1.500 peak   339 weight  0.10000E+01 volume  0.10946E+07 ppm1      7.653 ppm2      1.878
 OR {  339}
   (( segid "RPB1" and resid "11  " and name "HB1 "))
   (( segid "RPB1" and resid "10  " and name "HN  "))
 ASSI {  340}
   (( segid "RPB1" and resid "15  " and name "HA  "))
   (( segid "RPB1" and resid "16  " and name "HN  "))
      3.900     1.900     1.600 peak   340 weight  0.10000E+01 volume  0.21361E+06 ppm1      7.284 ppm2      4.080
 ASSI {  341}
   (( segid "RPB1" and resid "16  " and name "HA  "))
   (( segid "RPB1" and resid "17  " and name "HN  "))
      3.200     1.300     1.300 peak   341 weight  0.10000E+01 volume  0.72817E+06 ppm1      7.626 ppm2      4.519
 ASSI {  342}
   (( segid "RPB1" and resid "17  " and name "HN  "))
   (( segid "RPB1" and resid "18  " and name "HN  "))
      3.700     1.700     1.700 peak   342 weight  0.10000E+01 volume  0.29162E+06 ppm1      8.736 ppm2      7.595
 ASSI {  343}
   (( segid "RPB1" and resid "49  " and name "HG11"))
   (( segid "RPB1" and resid "49  " and name "HN  "))
      2.600     0.800     0.800 peak   343 weight  0.10000E+01 volume  0.25832E+07 ppm1      8.164 ppm2      1.063
 ASSI {  344}
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
   (( segid "RPB1" and resid "21  " and name "HN  "))
      3.300     1.400     1.400 peak   344 weight  0.10000E+01 volume  0.53678E+06 ppm1      8.494 ppm2      6.677
 ASSI {  345}
   (( segid "RPB1" and resid "39  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD22"))
   (( segid "RPB1" and resid "39  " and name "HN  "))
      2.900     1.100     1.100 peak   345 weight  0.10000E+01 volume  0.12910E+07 ppm1      7.472 ppm2      0.305
 ASSI {  346}
   (( segid "RPB1" and resid "48  " and name "HG  "))
   (( segid "RPB1" and resid "47  " and name "HN  "))
      3.000     1.100     1.100 peak   346 weight  0.10000E+01 volume  0.97686E+06 ppm1      7.780 ppm2      1.333
 ASSI {  351}
   (( segid "RPB1" and resid "45  " and name "HG1 "))
   (( segid "RPB1" and resid "44  " and name "HN  "))
      3.200     1.300     1.300 peak   351 weight  0.10000E+01 volume  0.64312E+06 ppm1      7.273 ppm2      1.643
 OR {  351}
   (( segid "RPB1" and resid "45  " and name "HG2 "))
   (( segid "RPB1" and resid "44  " and name "HN  "))
 OR {  351}
   (( segid "RPB1" and resid "45  " and name "HB2 "))
   (( segid "RPB1" and resid "44  " and name "HN  "))
 ASSI {  352}
   (( segid "RPB1" and resid "44  " and name "HA  "))
   (( segid "RPB1" and resid "45  " and name "HN  "))
      3.000     1.100     1.100 peak   352 weight  0.10000E+01 volume  0.11404E+07 ppm1      7.629 ppm2      3.985
 ASSI {  354}
   (( segid "RPB1" and resid "49  " and name "HG11"))
   (( segid "RPB1" and resid "46  " and name "HN  "))
      4.100     2.100     1.400 peak   354 weight  0.10000E+01 volume  0.16678E+06 ppm1      8.023 ppm2      1.109
 ASSI {  356}
   (( segid "RPB1" and resid "45  " and name "HA  "))
   (( segid "RPB1" and resid "46  " and name "HN  "))
      3.700     1.700     1.700 peak   356 weight  0.10000E+01 volume  0.28210E+06 ppm1      8.033 ppm2      3.510
 ASSI {  358}
   (( segid "RPB1" and resid "48  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD12"))
   (( segid "RPB1" and resid "48  " and name "HN  "))
      2.600     0.800     0.800 peak   358 weight  0.10000E+01 volume  0.25573E+07 ppm1      7.490 ppm2      0.506
 ASSI {  359}
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
   (( segid "RPB1" and resid "48  " and name "HN  "))
      3.500     1.500     1.500 peak   359 weight  0.10000E+01 volume  0.44594E+06 ppm1      7.484 ppm2      0.389
 ASSI {  360}
   (( segid "RPB1" and resid "18  " and name "HD21"))
   (( segid "RPB1" and resid "18  " and name "HD22"))
      2.600     0.800     0.800 peak   360 weight  0.10000E+01 volume  0.22767E+07 ppm1      7.641 ppm2      6.936
 ASSI {  367}
   (( segid "RPB1" and resid "21  " and name "HE22"))
   (( segid "RPB1" and resid "21  " and name "HE21"))
      2.000     0.500     0.500 peak   367 weight  0.10000E+01 volume  0.13542E+08 ppm1      7.036 ppm2      6.679
 ASSI {  369}
   (( segid "RPB1" and resid "18  " and name "HB1 "))
   (( segid "RPB1" and resid "18  " and name "HD21"))
      4.100     2.100     1.400 peak   369 weight  0.10000E+01 volume  0.15981E+06 ppm1      6.915 ppm2      2.866
 OR {  369}
   (( segid "RPB1" and resid "18  " and name "HB2 "))
   (( segid "RPB1" and resid "18  " and name "HD21"))
 ASSI {   37}
   (( segid "RPB1" and resid "29  " and name "HN  "))
   (( segid "RPB1" and resid "29  " and name "HB1 "))
      2.700     0.900     0.900 peak    37 weight  0.10000E+01 volume  0.47914E+07 ppm1      2.845 ppm2      8.933
 ASSI {  229}
   (( segid "RPB1" and resid "31  " and name "HN  "))
   (( segid "RPB1" and resid "31  " and name "HB1 "))
      2.500     0.800     0.800 peak   229 weight  0.10000E+01 volume  0.72789E+07 ppm1      1.822 ppm2      8.269
 ASSI {  231}
   (( segid "RPB1" and resid "28  " and name "HN  "))
   (( segid "RPB1" and resid "28  " and name "HB1 "))
      2.700     0.900     0.900 peak   231 weight  0.10000E+01 volume  0.52228E+07 ppm1      1.846 ppm2      7.698
 ASSI {  281}
   (( segid "RPB1" and resid "26  " and name "HN  "))
   (( segid "RPB1" and resid "26  " and name "HB1 "))
      2.800     1.000     1.000 peak   281 weight  0.10000E+01 volume  0.42352E+07 ppm1      2.870 ppm2      7.465
 ASSI {  286}
   (( segid "RPB1" and resid "32  " and name "HN  "))
   (( segid "RPB1" and resid "32  " and name "HB2 "))
      2.700     0.900     0.900 peak   286 weight  0.10000E+01 volume  0.47161E+07 ppm1      2.891 ppm2      7.278
 ASSI {  287}
   (( segid "RPB1" and resid "32  " and name "HN  "))
   (( segid "RPB1" and resid "32  " and name "HB1 "))
      2.500     0.800     0.800 peak   287 weight  0.10000E+01 volume  0.70888E+07 ppm1      2.778 ppm2      7.275
 ASSI {  295}
   (( segid "RPB1" and resid "16  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "16  " and name "HD2 "))
   (( segid "RPB1" and resid "16  " and name "HB2 "))
      2.400     0.700     0.700 peak   295 weight  0.10000E+01 volume  0.96955E+07 ppm1      2.780 ppm2      7.150
 ASSI {  304}
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
   (( segid "RPB1" and resid "20  " and name "HB1 "))
      2.300     0.700     0.700 peak   304 weight  0.10000E+01 volume  0.12620E+08 ppm1      3.058 ppm2      6.689
 ASSI {  305}
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
   (( segid "RPB1" and resid "20  " and name "HB2 "))
      2.700     0.900     0.900 peak   305 weight  0.10000E+01 volume  0.51542E+07 ppm1      2.827 ppm2      6.676
 ASSI {  310}
   (( segid "RPB1" and resid "42  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "42  " and name "HD2 "))
   (( segid "RPB1" and resid "42  " and name "HB2 "))
      2.600     0.800     0.800 peak   310 weight  0.10000E+01 volume  0.60280E+07 ppm1      3.150 ppm2      7.147
 ASSI {  359}
   (( segid "RPB1" and resid "29  " and name "HA  "))
   (( segid "RPB1" and resid "30  " and name "HD2 "))
      2.400     0.700     0.700 peak   359 weight  0.10000E+01 volume  0.10866E+08 ppm1      4.035 ppm2      4.722
 ASSI {  360}
   (( segid "RPB1" and resid "29  " and name "HA  "))
   (( segid "RPB1" and resid "30  " and name "HD1 "))
      2.400     0.700     0.700 peak   360 weight  0.10000E+01 volume  0.99506E+07 ppm1      3.860 ppm2      4.719
 ASSI {  452}
   (( segid "RPB1" and resid "13  " and name "HA  "))
   (( segid "RPB1" and resid "13  " and name "HB  "))
      2.600     0.800     0.800 peak   452 weight  0.10000E+01 volume  0.63565E+07 ppm1      2.336 ppm2      4.764
 ASSI {  458}
   (( segid "RPB1" and resid "9   " and name "HA  "))
   (( segid "RPB1" and resid "9   " and name "HB2 "))
      2.400     0.700     0.700 peak   458 weight  0.10000E+01 volume  0.98078E+07 ppm1      2.796 ppm2      4.913
 ASSI {  481}
   (( segid "RPB1" and resid "30  " and name "HD2 "))
   (( segid "RPB1" and resid "30  " and name "HD1 "))
      1.800     0.400     0.400 peak   481 weight  0.10000E+01 volume  0.47323E+08 ppm1      3.859 ppm2      4.043
 ASSI {  483}
   (( segid "RPB1" and resid "11  " and name "HA  "))
   (( segid "RPB1" and resid "12  " and name "HD2 "))
      2.600     0.800     0.800 peak   483 weight  0.10000E+01 volume  0.55508E+07 ppm1      3.699 ppm2      4.494
 ASSI {  488}
   (( segid "RPB1" and resid "12  " and name "HD2 "))
   (( segid "RPB1" and resid "12  " and name "HD1 "))
      2.000     0.500     0.500 peak   488 weight  0.10000E+01 volume  0.29826E+08 ppm1      4.034 ppm2      3.717
 ASSI {  492}
   (( segid "RPB1" and resid "3   " and name "HD1 "))
   (( segid "RPB1" and resid "3   " and name "HD2 "))
      2.300     0.700     0.700 peak   492 weight  0.10000E+01 volume  0.12307E+08 ppm1      3.175 ppm2      3.583
 ASSI {  525}
   (( segid "RPB1" and resid "38  " and name "HA1 "))
   (( segid "RPB1" and resid "38  " and name "HA2 "))
      2.000     0.500     0.500 peak   525 weight  0.10000E+01 volume  0.28953E+08 ppm1      3.654 ppm2      4.110
 ASSI {  530}
   (( segid "RPB1" and resid "27  " and name "HA1 "))
   (( segid "RPB1" and resid "27  " and name "HA2 "))
      2.000     0.500     0.500 peak   530 weight  0.10000E+01 volume  0.31199E+08 ppm1      3.680 ppm2      4.375
 ASSI {  555}
   (( segid "RPB1" and resid "36  " and name "HA  "))
   (( segid "RPB1" and resid "36  " and name "HB1 "))
      2.600     0.800     0.800 peak   555 weight  0.10000E+01 volume  0.57776E+07 ppm1      2.874 ppm2      4.474
 ASSI {  556}
   (( segid "RPB1" and resid "36  " and name "HA  "))
   (( segid "RPB1" and resid "36  " and name "HB2 "))
      2.700     0.900     0.900 peak   556 weight  0.10000E+01 volume  0.49374E+07 ppm1      2.761 ppm2      4.461
 ASSI {  576}
   (( segid "RPB1" and resid "34  " and name "HA  "))
   (( segid "RPB1" and resid "34  " and name "HB2 "))
      3.500     1.500     1.500 peak   576 weight  0.10000E+01 volume  0.95610E+06 ppm1      1.876 ppm2      3.877
 ASSI {  577}
   (( segid "RPB1" and resid "34  " and name "HA  "))
   (( segid "RPB1" and resid "34  " and name "HB1 "))
      2.700     0.900     0.900 peak   577 weight  0.10000E+01 volume  0.43642E+07 ppm1      1.355 ppm2      3.877
 ASSI {  583}
   (( segid "RPB1" and resid "32  " and name "HA  "))
   (( segid "RPB1" and resid "32  " and name "HB2 "))
      2.400     0.700     0.700 peak   583 weight  0.10000E+01 volume  0.93797E+07 ppm1      2.893 ppm2      4.389
 ASSI {  616}
   (( segid "RPB1" and resid "18  " and name "HA  "))
   (( segid "RPB1" and resid "18  " and name "HB2 "))
      2.500     0.800     0.800 peak   616 weight  0.10000E+01 volume  0.85940E+07 ppm1      2.866 ppm2      4.432
 OR {  616}
   (( segid "RPB1" and resid "18  " and name "HA  "))
   (( segid "RPB1" and resid "18  " and name "HB1 "))
 ASSI {  627}
   (( segid "RPB1" and resid "28  " and name "HA  "))
   (( segid "RPB1" and resid "28  " and name "HG1 "))
      2.700     0.900     0.900 peak   627 weight  0.10000E+01 volume  0.53777E+07 ppm1      2.096 ppm2      4.160
 ASSI {  642}
   (( segid "RPB1" and resid "19  " and name "HA  "))
   (( segid "RPB1" and resid "19  " and name "HG1 "))
      2.500     0.800     0.800 peak   642 weight  0.10000E+01 volume  0.84296E+07 ppm1      2.249 ppm2      4.149
 ASSI {  679}
   (( segid "RPB1" and resid "30  " and name "HA  "))
   (( segid "RPB1" and resid "30  " and name "HB1 "))
      2.700     0.900     0.900 peak   679 weight  0.10000E+01 volume  0.49662E+07 ppm1      2.858 ppm2      3.882
 ASSI {  700}
   (( segid "RPB1" and resid "28  " and name "HA  "))
   (( segid "RPB1" and resid "28  " and name "HB1 "))
      2.500     0.800     0.800 peak   700 weight  0.10000E+01 volume  0.86662E+07 ppm1      1.841 ppm2      4.151
 ASSI {  705}
   (( segid "RPB1" and resid "24  " and name "HA  "))
   (( segid "RPB1" and resid "24  " and name "HB  "))
      2.500     0.800     0.800 peak   705 weight  0.10000E+01 volume  0.79863E+07 ppm1      1.716 ppm2      4.029
 ASSI {  726}
   (( segid "RPB1" and resid "30  " and name "HG1 "))
   (( segid "RPB1" and resid "30  " and name "HD1 "))
      2.400     0.700     0.700 peak   726 weight  0.10000E+01 volume  0.93404E+07 ppm1      3.858 ppm2      2.017
 ASSI {  727}
   (( segid "RPB1" and resid "30  " and name "HB2 "))
   (( segid "RPB1" and resid "30  " and name "HD2 "))
      2.200     0.600     0.600 peak   727 weight  0.10000E+01 volume  0.15179E+08 ppm1      4.032 ppm2      1.993
 OR {  727}
   (( segid "RPB1" and resid "30  " and name "HG1 "))
   (( segid "RPB1" and resid "30  " and name "HD2 "))
 ASSI {  730}
   (( segid "RPB1" and resid "12  " and name "HG1 "))
   (( segid "RPB1" and resid "12  " and name "HD2 "))
      2.500     0.800     0.800 peak   730 weight  0.10000E+01 volume  0.83862E+07 ppm1      3.692 ppm2      2.216
 OR {  730}
   (( segid "RPB1" and resid "12  " and name "HG2 "))
   (( segid "RPB1" and resid "12  " and name "HD2 "))
 ASSI {  776}
   (( segid "RPB1" and resid "23  " and name "HD2 "))
   (( segid "RPB1" and resid "23  " and name "HD1 "))
      2.300     0.700     0.700 peak   776 weight  0.10000E+01 volume  0.13425E+08 ppm1      3.214 ppm2      2.704
 ASSI {  788}
   (( segid "RPB1" and resid "41  " and name "HB2 "))
   (( segid "RPB1" and resid "41  " and name "HD1 "))
      2.500     0.800     0.800 peak   788 weight  0.10000E+01 volume  0.79380E+07 ppm1      3.320 ppm2      2.102
 OR {  788}
   (( segid "RPB1" and resid "41  " and name "HB2 "))
   (( segid "RPB1" and resid "41  " and name "HD2 "))
 ASSI {  794}
   (( segid "RPB1" and resid "22  " and name "HD1 "))
   (( segid "RPB1" and resid "22  " and name "HD2 "))
      1.600     0.300     0.600 peak   794 weight  0.10000E+01 volume  0.11653E+09 ppm1      3.083 ppm2      3.287
 ASSI {  802}
   (( segid "RPB1" and resid "22  " and name "HB2 "))
   (( segid "RPB1" and resid "22  " and name "HD1 "))
      2.300     0.700     0.700 peak   802 weight  0.10000E+01 volume  0.14383E+08 ppm1      3.267 ppm2      1.907
 OR {  802}
   (( segid "RPB1" and resid "22  " and name "HB1 "))
   (( segid "RPB1" and resid "22  " and name "HD1 "))
 ASSI {  803}
   (( segid "RPB1" and resid "22  " and name "HB2 "))
   (( segid "RPB1" and resid "22  " and name "HD2 "))
      2.200     0.600     0.600 peak   803 weight  0.10000E+01 volume  0.18075E+08 ppm1      3.072 ppm2      1.885
 ASSI {  811}
   (( segid "RPB1" and resid "29  " and name "HB2 "))
   (( segid "RPB1" and resid "29  " and name "HB1 "))
      1.800     0.400     0.400 peak   811 weight  0.10000E+01 volume  0.51977E+08 ppm1      2.840 ppm2      2.648
 ASSI {  815}
   (( segid "RPB1" and resid "37  " and name "HG  "))
   (( segid "RPB1" and resid "37  " and name "HB2 "))
      2.700     0.900     0.900 peak   815 weight  0.10000E+01 volume  0.43816E+07 ppm1      1.765 ppm2      2.116
 ASSI {  883}
   (( segid "RPB1" and resid "35  " and name "HB2 "))
   (( segid "RPB1" and resid "35  " and name "HB1 "))
      1.600     0.300     0.600 peak   883 weight  0.10000E+01 volume  0.13281E+09 ppm1      2.693 ppm2      2.899
 ASSI {  892}
   (( segid "RPB1" and resid "16  " and name "HB2 "))
   (( segid "RPB1" and resid "16  " and name "HB1 "))
      1.800     0.400     0.400 peak   892 weight  0.10000E+01 volume  0.61068E+08 ppm1      3.124 ppm2      2.810
 ASSI {  899}
   (( segid "RPB1" and resid "20  " and name "HB1 "))
   (( segid "RPB1" and resid "20  " and name "HB2 "))
      1.800     0.400     0.400 peak   899 weight  0.10000E+01 volume  0.50103E+08 ppm1      2.829 ppm2      3.084
 ASSI {  910}
   (( segid "RPB1" and resid "42  " and name "HB2 "))
   (( segid "RPB1" and resid "42  " and name "HB1 "))
      1.600     0.300     0.600 peak   910 weight  0.10000E+01 volume  0.12592E+09 ppm1      3.015 ppm2      3.166
 ASSI {  921}
   (( segid "RPB1" and resid "28  " and name "HG1 "))
   (( segid "RPB1" and resid "28  " and name "HG2 "))
      1.700     0.400     0.500 peak   921 weight  0.10000E+01 volume  0.65803E+08 ppm1      2.257 ppm2      2.116
 ASSI {  927}
   (( segid "RPB1" and resid "36  " and name "HB2 "))
   (( segid "RPB1" and resid "19  " and name "HG2 "))
      3.000     1.100     1.100 peak   927 weight  0.10000E+01 volume  0.24055E+07 ppm1      2.256 ppm2      2.785
 OR {  927}
   (( segid "RPB1" and resid "36  " and name "HB2 "))
   (( segid "RPB1" and resid "19  " and name "HG1 "))
 ASSI {  941}
   (( segid "RPB1" and resid "21  " and name "HG2 "))
   (( segid "RPB1" and resid "21  " and name "HG1 "))
      1.800     0.400     0.400 peak   941 weight  0.10000E+01 volume  0.53877E+08 ppm1      2.121 ppm2      2.301
 ASSI {  945}
   (( segid "RPB1" and resid "21  " and name "HB2 "))
   (( segid "RPB1" and resid "21  " and name "HG2 "))
      2.100     0.600     0.600 peak   945 weight  0.10000E+01 volume  0.24347E+08 ppm1      2.310 ppm2      1.935
 OR {  945}
   (( segid "RPB1" and resid "21  " and name "HB1 "))
   (( segid "RPB1" and resid "21  " and name "HG2 "))
 ASSI {  946}
   (( segid "RPB1" and resid "21  " and name "HB2 "))
   (( segid "RPB1" and resid "21  " and name "HG1 "))
      1.600     0.300     0.600 peak   946 weight  0.10000E+01 volume  0.10008E+09 ppm1      2.129 ppm2      1.924
 OR {  946}
   (( segid "RPB1" and resid "21  " and name "HB1 "))
   (( segid "RPB1" and resid "21  " and name "HG1 "))
 ASSI {  948}
   (( segid "RPB1" and resid "40  " and name "HB2 "))
   (( segid "RPB1" and resid "40  " and name "HB1 "))
      1.700     0.400     0.500 peak   948 weight  0.10000E+01 volume  0.69780E+08 ppm1      1.672 ppm2      1.893
 ASSI {  949}
   (( segid "RPB1" and resid "5   " and name "HD2 "))
   (( segid "RPB1" and resid "5   " and name "HB2 "))
      2.600     0.800     0.800 peak   949 weight  0.10000E+01 volume  0.57102E+07 ppm1      1.426 ppm2      3.139
 OR {  949}
   (( segid "RPB1" and resid "5   " and name "HD1 "))
   (( segid "RPB1" and resid "5   " and name "HB2 "))
 OR {  949}
   (( segid "RPB1" and resid "5   " and name "HD2 "))
   (( segid "RPB1" and resid "5   " and name "HB1 "))
 ASSI {  959}
   (( segid "RPB1" and resid "41  " and name "HB2 "))
   (( segid "RPB1" and resid "41  " and name "HB1 "))
      1.800     0.400     0.400 peak   959 weight  0.10000E+01 volume  0.57329E+08 ppm1      2.302 ppm2      2.092
 ASSI {  974}
   (( segid "RPB1" and resid "12  " and name "HG1 "))
   (( segid "RPB1" and resid "12  " and name "HB1 "))
      1.300     0.200     0.900 peak   974 weight  0.10000E+01 volume  0.34622E+09 ppm1      2.103 ppm2      2.250
 OR {  974}
   (( segid "RPB1" and resid "12  " and name "HG2 "))
   (( segid "RPB1" and resid "12  " and name "HB2 "))
 OR {  974}
   (( segid "RPB1" and resid "12  " and name "HG2 "))
   (( segid "RPB1" and resid "12  " and name "HB1 "))
 ASSI {  977}
   (( segid "RPB1" and resid "28  " and name "HG2 "))
   (( segid "RPB1" and resid "28  " and name "HB2 "))
      2.800     1.000     1.000 peak   977 weight  0.10000E+01 volume  0.38854E+07 ppm1      1.359 ppm2      2.273
 ASSI {  978}
   (( segid "RPB1" and resid "28  " and name "HG2 "))
   (( segid "RPB1" and resid "28  " and name "HB1 "))
      2.200     0.600     0.600 peak   978 weight  0.10000E+01 volume  0.19098E+08 ppm1      1.855 ppm2      2.241
 ASSI {  980}
   (( segid "RPB1" and resid "28  " and name "HG1 "))
   (( segid "RPB1" and resid "28  " and name "HB2 "))
      2.500     0.800     0.800 peak   980 weight  0.10000E+01 volume  0.82529E+07 ppm1      1.376 ppm2      2.097
 ASSI { 1149}
   (( segid "RPB1" and resid "5   " and name "HG2 "))
   (( segid "RPB1" and resid "5   " and name "HD1 "))
      2.200     0.600     0.600 peak  1149 weight  0.10000E+01 volume  0.18646E+08 ppm1      3.124 ppm2      1.301
 OR { 1149}
   (( segid "RPB1" and resid "5   " and name "HG2 "))
   (( segid "RPB1" and resid "5   " and name "HD2 "))
 ASSI { 1175}
   (( segid "RPB1" and resid "46  " and name "HB1 "))
   (( segid "RPB1" and resid "46  " and name "HD1 "))
      2.000     0.500     0.500 peak  1175 weight  0.10000E+01 volume  0.29452E+08 ppm1      3.021 ppm2      1.774
 OR { 1175}
   (( segid "RPB1" and resid "46  " and name "HB1 "))
   (( segid "RPB1" and resid "46  " and name "HD2 "))
 ASSI { 1177}
   (( segid "RPB1" and resid "37  " and name "HB1 "))
   (( segid "RPB1" and resid "37  " and name "HB2 "))
      1.700     0.400     0.500 peak  1177 weight  0.10000E+01 volume  0.78877E+08 ppm1      1.771 ppm2      1.532
 ASSI { 1211}
   (( segid "RPB1" and resid "34  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD22"))
   (( segid "RPB1" and resid "34  " and name "HB1 "))
      2.400     0.700     0.700 peak  1211 weight  0.10000E+01 volume  0.10237E+08 ppm1      1.358 ppm2      0.641
 ASSI { 1222}
   (( segid "RPB1" and resid "39  " and name "HG  "))
   (( segid "RPB1" and resid "39  " and name "HB1 "))
      1.900     0.500     0.500 peak  1222 weight  0.10000E+01 volume  0.34895E+08 ppm1      1.226 ppm2      1.077
 OR { 1222}
   (( segid "RPB1" and resid "39  " and name "HG  "))
   (( segid "RPB1" and resid "39  " and name "HB2 "))
 ASSI { 1244}
   (( segid "RPB1" and resid "49  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD12"))
   (( segid "RPB1" and resid "49  " and name "HB  "))
      2.500     0.800     0.800 peak  1244 weight  0.10000E+01 volume  0.75184E+07 ppm1      1.669 ppm2      0.724
 ASSI { 1252}
   (( segid "RPB1" and resid "28  " and name "HB1 "))
   (( segid "RPB1" and resid "28  " and name "HG1 "))
      2.400     0.700     0.700 peak  1252 weight  0.10000E+01 volume  0.10186E+08 ppm1      2.085 ppm2      1.856
 ASSI { 1287}
   (( segid "RPB1" and resid "40  " and name "HG2 "))
   (( segid "RPB1" and resid "40  " and name "HB2 "))
      2.100     0.600     0.600 peak  1287 weight  0.10000E+01 volume  0.19249E+08 ppm1      1.906 ppm2      1.392
 ASSI { 1289}
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
   (( segid "RPB1" and resid "13  " and name "HB  "))
      2.400     0.700     0.700 peak  1289 weight  0.10000E+01 volume  0.95741E+07 ppm1      2.342 ppm2      0.938
 ASSI { 1291}
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
   (( segid "RPB1" and resid "13  " and name "HB  "))
      3.000     1.100     1.100 peak  1291 weight  0.10000E+01 volume  0.25124E+07 ppm1      2.334 ppm2      0.458
 ASSI { 1294}
   (( segid "RPB1" and resid "11  " and name "HD2 "))
   (( segid "RPB1" and resid "11  " and name "HB2 "))
      1.900     0.500     0.500 peak  1294 weight  0.10000E+01 volume  0.46366E+08 ppm1      1.897 ppm2      1.505
 ASSI { 1299}
   (( segid "RPB1" and resid "41  " and name "HG2 "))
   (( segid "RPB1" and resid "41  " and name "HB2 "))
      2.100     0.600     0.600 peak  1299 weight  0.10000E+01 volume  0.20883E+08 ppm1      2.081 ppm2      1.784
 OR { 1299}
   (( segid "RPB1" and resid "41  " and name "HG1 "))
   (( segid "RPB1" and resid "41  " and name "HB2 "))
 ASSI { 1301}
   (( segid "RPB1" and resid "4   " and name "HB  "))
   (( segid "RPB1" and resid "5   " and name "HB2 "))
      2.700     2.700     1.800 peak  1301 weight  0.10000E+01 volume  0.47066E+07 ppm1      1.415 ppm2      1.819
 OR { 1301}
   (( segid "RPB1" and resid "4   " and name "HB  "))
   (( segid "RPB1" and resid "5   " and name "HB1 "))
 ASSI { 1305}
   (( segid "RPB1" and resid "4   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG22"))
   (( segid "RPB1" and resid "4   " and name "HB  "))
      2.100     0.600     0.600 peak  1305 weight  0.10000E+01 volume  0.23947E+08 ppm1      1.868 ppm2      0.892
 OR { 1305}
   (( segid "RPB1" and resid "4   " and name "HG11")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG13")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG12"))
   (( segid "RPB1" and resid "4   " and name "HB  "))
 ASSI { 1314}
   (( segid "RPB1" and resid "23  " and name "HB1 "))
   (( segid "RPB1" and resid "33  " and name "HB  "))
      1.600     1.600     2.900 peak  1314 weight  0.10000E+01 volume  0.95701E+08 ppm1      2.063 ppm2      1.830
 ASSI { 1317}
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
   (( segid "RPB1" and resid "12  " and name "HB1 "))
      2.500     2.500     2.000 peak  1317 weight  0.10000E+01 volume  0.68780E+07 ppm1      2.124 ppm2      0.960
 OR { 1317}
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
   (( segid "RPB1" and resid "12  " and name "HB2 "))
 ASSI { 1318}
   (( segid "RPB1" and resid "31  " and name "HG1 "))
   (( segid "RPB1" and resid "31  " and name "HB2 "))
      2.200     0.600     0.600 peak  1318 weight  0.10000E+01 volume  0.17616E+08 ppm1      1.743 ppm2      1.410
 ASSI { 1319}
   (( segid "RPB1" and resid "28  " and name "HB2 "))
   (( segid "RPB1" and resid "28  " and name "HB1 "))
      1.900     0.500     0.500 peak  1319 weight  0.10000E+01 volume  0.37549E+08 ppm1      1.838 ppm2      1.393
 ASSI { 1321}
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
   (( segid "RPB1" and resid "33  " and name "HB  "))
      2.100     0.600     0.600 peak  1321 weight  0.10000E+01 volume  0.19870E+08 ppm1      2.019 ppm2      0.936
 ASSI { 1323}
   (( segid "RPB1" and resid "24  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG12"))
   (( segid "RPB1" and resid "24  " and name "HB  "))
      2.300     0.700     0.700 peak  1323 weight  0.10000E+01 volume  0.13948E+08 ppm1      1.713 ppm2      0.789
 ASSI { 1324}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "28  " and name "HB2 "))
      2.600     0.800     0.800 peak  1324 weight  0.10000E+01 volume  0.56309E+07 ppm1      1.364 ppm2      0.770
 ASSI { 1395}
   (( segid "RPB1" and resid "49  " and name "HG11"))
   (( segid "RPB1" and resid "45  " and name "HB1 "))
      2.600     0.800     0.800 peak  1395 weight  0.10000E+01 volume  0.61228E+07 ppm1      1.818 ppm2      1.107
 ASSI { 1517}
   (( segid "RPB1" and resid "31  " and name "HN  "))
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
      2.600     2.600     1.900 peak  1517 weight  0.10000E+01 volume  0.65361E+07 ppm1      0.743 ppm2      8.283
 ASSI { 1531}
   (( segid "RPB1" and resid "7   " and name "HN  "))
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
      2.800     2.800     1.700 peak  1531 weight  0.10000E+01 volume  0.36445E+07 ppm1      0.909 ppm2      7.996
 ASSI { 1558}
   (( segid "RPB1" and resid "9   " and name "HN  "))
   (( segid "RPB1" and resid "8   " and name "HB1 "))
      2.600     0.800     0.800 peak  1558 weight  0.10000E+01 volume  0.67205E+07 ppm1      3.912 ppm2      8.342
 ASSI { 1584}
   (( segid "RPB1" and resid "31  " and name "HN  "))
   (( segid "RPB1" and resid "31  " and name "HA  "))
      2.700     0.900     0.900 peak  1584 weight  0.10000E+01 volume  0.45256E+07 ppm1      3.826 ppm2      8.284
 ASSI { 1585}
   (( segid "RPB1" and resid "23  " and name "HN  "))
   (( segid "RPB1" and resid "23  " and name "HA  "))
      2.800     1.000     1.000 peak  1585 weight  0.10000E+01 volume  0.41637E+07 ppm1      3.983 ppm2      7.934
 ASSI { 1586}
   (( segid "RPB1" and resid "45  " and name "HN  "))
   (( segid "RPB1" and resid "45  " and name "HA  "))
      2.900     1.100     1.100 peak  1586 weight  0.10000E+01 volume  0.31938E+07 ppm1      3.538 ppm2      7.641
 ASSI { 1588}
   (( segid "RPB1" and resid "21  " and name "HN  "))
   (( segid "RPB1" and resid "19  " and name "HA  "))
      3.200     1.300     1.300 peak  1588 weight  0.10000E+01 volume  0.19054E+07 ppm1      4.109 ppm2      8.455
 ASSI { 1592}
   (( segid "RPB1" and resid "46  " and name "HN  "))
   (( segid "RPB1" and resid "46  " and name "HA  "))
      2.700     0.900     0.900 peak  1592 weight  0.10000E+01 volume  0.49719E+07 ppm1      3.802 ppm2      8.027
 ASSI { 1600}
   (( segid "RPB1" and resid "7   " and name "HN  "))
   (( segid "RPB1" and resid "7   " and name "HA  "))
      2.600     0.800     0.800 peak  1600 weight  0.10000E+01 volume  0.57041E+07 ppm1      4.083 ppm2      7.976
 ASSI { 1646}
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.800     1.000     1.000 peak  1646 weight  0.10000E+01 volume  0.42675E+07 ppm1      0.926 ppm2      6.698
 ASSI { 1678}
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
   (( segid "RPB1" and resid "30  " and name "HA  "))
      2.900     1.100     1.100 peak  1678 weight  0.10000E+01 volume  0.29244E+07 ppm1      3.864 ppm2      6.660
 OR { 1678}
   (( segid "RPB1" and resid "20  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HE2 "))
   (( segid "RPB1" and resid "30  " and name "HA  "))
 ASSI { 1755}
   (( segid "RPB1" and resid "13  " and name "HA  "))
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
      2.500     0.800     0.800 peak  1755 weight  0.10000E+01 volume  0.84249E+07 ppm1      0.925 ppm2      4.777
 ASSI { 1839}
   (( segid "RPB1" and resid "21  " and name "HA  "))
   (( segid "RPB1" and resid "21  " and name "HB1 "))
      2.300     0.700     0.700 peak  1839 weight  0.10000E+01 volume  0.11993E+08 ppm1      1.931 ppm2      3.630
 OR { 1839}
   (( segid "RPB1" and resid "21  " and name "HA  "))
   (( segid "RPB1" and resid "21  " and name "HB2 "))
 ASSI { 1848}
   (( segid "RPB1" and resid "12  " and name "HD1 "))
   (( segid "RPB1" and resid "12  " and name "HG2 "))
      2.200     0.600     0.600 peak  1848 weight  0.10000E+01 volume  0.16501E+08 ppm1      2.196 ppm2      4.052
 OR { 1848}
   (( segid "RPB1" and resid "12  " and name "HD1 "))
   (( segid "RPB1" and resid "12  " and name "HG1 "))
 ASSI { 1849}
   (( segid "RPB1" and resid "23  " and name "HA  "))
   (( segid "RPB1" and resid "23  " and name "HG1 "))
      2.200     0.600     0.600 peak  1849 weight  0.10000E+01 volume  0.17125E+08 ppm1      2.033 ppm2      4.000
 ASSI { 1855}
   (( segid "RPB1" and resid "30  " and name "HD1 "))
   (( segid "RPB1" and resid "30  " and name "HG2 "))
      2.300     0.700     0.700 peak  1855 weight  0.10000E+01 volume  0.14537E+08 ppm1      2.153 ppm2      3.886
 ASSI { 1892}
   (( segid "RPB1" and resid "20  " and name "HA  "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.300     0.700     0.700 peak  1892 weight  0.10000E+01 volume  0.13172E+08 ppm1      0.923 ppm2      3.962
 ASSI { 1895}
   (( segid "RPB1" and resid "37  " and name "HA  "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.300     2.300     2.200 peak  1895 weight  0.10000E+01 volume  0.13291E+08 ppm1      0.945 ppm2      4.215
 ASSI { 1913}
   (( segid "RPB1" and resid "8   " and name "HB1 "))
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
      2.300     2.300     2.200 peak  1913 weight  0.10000E+01 volume  0.12488E+08 ppm1      0.914 ppm2      3.953
 ASSI { 1957}
   (( segid "RPB1" and resid "22  " and name "HA  "))
   (( segid "RPB1" and resid "25  " and name "HB1 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB3 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB2 "))
      2.500     0.800     0.800 peak  1957 weight  0.10000E+01 volume  0.78903E+07 ppm1      1.480 ppm2      3.943
 ASSI { 2039}
   (( segid "RPB1" and resid "3   " and name "HD1 "))
   (( segid "RPB1" and resid "2   " and name "HA  "))
      2.500     0.800     0.800 peak  2039 weight  0.10000E+01 volume  0.86208E+07 ppm1      4.112 ppm2      3.545
 ASSI { 2083}
   (( segid "RPB1" and resid "43  " and name "HB1 "))
   (( segid "RPB1" and resid "43  " and name "HB2 "))
      2.000     0.500     0.500 peak  2083 weight  0.10000E+01 volume  0.29838E+08 ppm1      2.715 ppm2      2.986
 ASSI { 2086}
   (( segid "RPB1" and resid "53  " and name "HG2 "))
   (( segid "RPB1" and resid "53  " and name "HB1 "))
      1.300     0.200     0.900 peak  2086 weight  0.10000E+01 volume  0.32647E+09 ppm1      1.930 ppm2      2.189
 OR { 2086}
   (( segid "RPB1" and resid "53  " and name "HG2 "))
   (( segid "RPB1" and resid "53  " and name "HB2 "))
 ASSI { 2088}
   (( segid "RPB1" and resid "19  " and name "HB2 "))
   (( segid "RPB1" and resid "19  " and name "HB1 "))
      1.500     0.300     0.700 peak  2088 weight  0.10000E+01 volume  0.17445E+09 ppm1      2.112 ppm2      1.981
 ASSI { 2115}
   (( segid "RPB1" and resid "23  " and name "HG1 "))
   (( segid "RPB1" and resid "23  " and name "HG2 "))
      1.600     0.300     0.600 peak  2115 weight  0.10000E+01 volume  0.11737E+09 ppm1      1.634 ppm2      1.991
 ASSI { 2117}
   (( segid "RPB1" and resid "30  " and name "HB1 "))
   (( segid "RPB1" and resid "30  " and name "HG2 "))
      2.500     0.800     0.800 peak  2117 weight  0.10000E+01 volume  0.68871E+07 ppm1      2.155 ppm2      2.885
 ASSI { 2118}
   (( segid "RPB1" and resid "30  " and name "HB1 "))
   (( segid "RPB1" and resid "30  " and name "HG1 "))
      2.400     0.700     0.700 peak  2118 weight  0.10000E+01 volume  0.10816E+08 ppm1      1.993 ppm2      2.869
 ASSI { 2120}
   (( segid "RPB1" and resid "1   " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE2 "))
   (( segid "RPB1" and resid "7   " and name "HG  "))
      2.200     2.200     2.300 peak  2120 weight  0.10000E+01 volume  0.16866E+08 ppm1      1.779 ppm2      2.091
 ASSI { 2121}
   (( segid "RPB1" and resid "30  " and name "HG1 "))
   (( segid "RPB1" and resid "30  " and name "HG2 "))
      1.800     0.400     0.400 peak  2121 weight  0.10000E+01 volume  0.54429E+08 ppm1      2.149 ppm2      2.019
 ASSI { 2130}
   (( segid "RPB1" and resid "16  " and name "HB1 "))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
      2.600     2.600     1.900 peak  2130 weight  0.10000E+01 volume  0.59765E+07 ppm1      0.936 ppm2      3.139
 ASSI { 2132}
   (( segid "RPB1" and resid "20  " and name "HB2 "))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
      2.700     0.900     0.900 peak  2132 weight  0.10000E+01 volume  0.54327E+07 ppm1      0.932 ppm2      2.823
 ASSI { 2133}
   (( segid "RPB1" and resid "37  " and name "HG  "))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
      2.200     0.600     0.600 peak  2133 weight  0.10000E+01 volume  0.16395E+08 ppm1      0.934 ppm2      2.118
 ASSI { 2160}
   (( segid "RPB1" and resid "36  " and name "HB2 "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.500     0.800     0.800 peak  2160 weight  0.10000E+01 volume  0.76651E+07 ppm1      0.927 ppm2      2.791
 ASSI { 2168}
   (( segid "RPB1" and resid "30  " and name "HG1 "))
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
      2.600     0.800     0.800 peak  2168 weight  0.10000E+01 volume  0.61266E+07 ppm1      0.388 ppm2      2.010
 ASSI { 2171}
   (( segid "RPB1" and resid "16  " and name "HB1 "))
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
      2.800     1.000     1.000 peak  2171 weight  0.10000E+01 volume  0.40331E+07 ppm1      0.922 ppm2      3.108
 ASSI { 2180}
   (( segid "RPB1" and resid "3   " and name "HG2 "))
   (( segid "RPB1" and resid "4   " and name "HG11")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG13")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG12"))
      2.100     2.100     2.400 peak  2180 weight  0.10000E+01 volume  0.22190E+08 ppm1      0.868 ppm2      2.087
 ASSI { 2182}
   (( segid "RPB1" and resid "52  " and name "HB  "))
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
      2.000     0.500     0.500 peak  2182 weight  0.10000E+01 volume  0.26030E+08 ppm1      0.772 ppm2      1.995
 OR { 2182}
   (( segid "RPB1" and resid "52  " and name "HB  "))
   (( segid "RPB1" and resid "52  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG12"))
 ASSI { 2243}
   (( segid "RPB1" and resid "44  " and name "HB2 "))
   (( segid "RPB1" and resid "44  " and name "HA  "))
      2.300     0.700     0.700 peak  2243 weight  0.10000E+01 volume  0.12852E+08 ppm1      3.979 ppm2      2.728
 ASSI { 2303}
   (( segid "RPB1" and resid "47  " and name "HB2 "))
   (( segid "RPB1" and resid "47  " and name "HA  "))
      2.300     0.700     0.700 peak  2303 weight  0.10000E+01 volume  0.13233E+08 ppm1      4.194 ppm2      2.403
 ASSI { 2308}
   (( segid "RPB1" and resid "35  " and name "HB1 "))
   (( segid "RPB1" and resid "35  " and name "HA  "))
      2.200     0.600     0.600 peak  2308 weight  0.10000E+01 volume  0.15468E+08 ppm1      4.182 ppm2      2.708
 ASSI { 2311}
   (( segid "RPB1" and resid "21  " and name "HB2 "))
   (( segid "RPB1" and resid "18  " and name "HA  "))
      2.700     0.900     0.900 peak  2311 weight  0.10000E+01 volume  0.48899E+07 ppm1      4.392 ppm2      1.891
 OR { 2311}
   (( segid "RPB1" and resid "21  " and name "HB1 "))
   (( segid "RPB1" and resid "18  " and name "HA  "))
 ASSI { 2319}
   (( segid "RPB1" and resid "1   " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE2 "))
   (( segid "RPB1" and resid "1   " and name "HB2 "))
      2.100     0.600     0.600 peak  2319 weight  0.10000E+01 volume  0.21727E+08 ppm1      2.220 ppm2      2.065
 ASSI { 2322}
   (( segid "RPB1" and resid "40  " and name "HB2 "))
   (( segid "RPB1" and resid "40  " and name "HA  "))
      2.300     0.700     0.700 peak  2322 weight  0.10000E+01 volume  0.13340E+08 ppm1      4.214 ppm2      1.908
 ASSI { 2342}
   (( segid "RPB1" and resid "49  " and name "HG11"))
   (( segid "RPB1" and resid "45  " and name "HG2 "))
      2.100     2.100     2.400 peak  2342 weight  0.10000E+01 volume  0.20140E+08 ppm1      1.652 ppm2      1.131
 OR { 2342}
   (( segid "RPB1" and resid "49  " and name "HG11"))
   (( segid "RPB1" and resid "45  " and name "HG1 "))
 ASSI { 2350}
   (( segid "RPB1" and resid "46  " and name "HG1 "))
   (( segid "RPB1" and resid "46  " and name "HB1 "))
      1.800     1.800     2.700 peak  2350 weight  0.10000E+01 volume  0.49661E+08 ppm1      1.788 ppm2      1.526
 ASSI { 2351}
   (( segid "RPB1" and resid "11  " and name "HD1 "))
   (( segid "RPB1" and resid "11  " and name "HG1 "))
      1.400     0.200     0.800 peak  2351 weight  0.10000E+01 volume  0.26112E+09 ppm1      1.668 ppm2      1.434
 OR { 2351}
   (( segid "RPB1" and resid "11  " and name "HD1 "))
   (( segid "RPB1" and resid "11  " and name "HG2 "))
 ASSI { 2356}
   (( segid "RPB1" and resid "49  " and name "HG12"))
   (( segid "RPB1" and resid "49  " and name "HG11"))
      2.100     0.600     0.600 peak  2356 weight  0.10000E+01 volume  0.24860E+08 ppm1      1.088 ppm2      1.606
 ASSI { 2376}
   (( segid "RPB1" and resid "5   " and name "HG1 "))
   (( segid "RPB1" and resid "5   " and name "HG2 "))
      1.600     0.300     0.600 peak  2376 weight  0.10000E+01 volume  0.10131E+09 ppm1      1.265 ppm2      1.405
 OR { 2376}
   (( segid "RPB1" and resid "5   " and name "HB1 "))
   (( segid "RPB1" and resid "5   " and name "HG2 "))
 ASSI { 2382}
   (( segid "RPB1" and resid "5   " and name "HG2 "))
   (( segid "RPB1" and resid "5   " and name "HG1 "))
      1.800     0.400     0.400 peak  2382 weight  0.10000E+01 volume  0.49302E+08 ppm1      1.410 ppm2      1.255
 ASSI { 2384}
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
   (( segid "RPB1" and resid "5   " and name "HG1 "))
      2.200     2.200     2.300 peak  2384 weight  0.10000E+01 volume  0.14545E+08 ppm1      1.426 ppm2      0.905
 ASSI { 2397}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "5   " and name "HG2 "))
      2.300     2.300     2.200 peak  2397 weight  0.10000E+01 volume  0.14016E+08 ppm1      1.309 ppm2      0.986
 ASSI { 2398}
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
   (( segid "RPB1" and resid "5   " and name "HG2 "))
      2.500     2.500     2.000 peak  2398 weight  0.10000E+01 volume  0.77573E+07 ppm1      1.235 ppm2      0.905
 ASSI { 2401}
   (( segid "RPB1" and resid "37  " and name "HB2 "))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
      2.600     0.800     0.800 peak  2401 weight  0.10000E+01 volume  0.63680E+07 ppm1      0.931 ppm2      1.786
 ASSI { 2405}
   (( segid "RPB1" and resid "37  " and name "HB1 "))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
      2.300     0.700     0.700 peak  2405 weight  0.10000E+01 volume  0.13784E+08 ppm1      0.914 ppm2      1.546
 ASSI { 2421}
   (( segid "RPB1" and resid "45  " and name "HB2 "))
   (( segid "RPB1" and resid "34  " and name "HG  "))
      2.400     2.400     2.100 peak  2421 weight  0.10000E+01 volume  0.87456E+07 ppm1      0.748 ppm2      1.607
 ASSI { 2433}
   (( segid "RPB1" and resid "31  " and name "HB1 "))
   (( segid "RPB1" and resid "31  " and name "HG1 "))
      1.700     1.700     2.800 peak  2433 weight  0.10000E+01 volume  0.68364E+08 ppm1      1.420 ppm2      1.856
 ASSI { 2442}
   (( segid "RPB1" and resid "48  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD12"))
   (( segid "RPB1" and resid "39  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD22"))
      2.200     0.600     0.600 peak  2442 weight  0.10000E+01 volume  0.16860E+08 ppm1      0.312 ppm2      0.533
 ASSI { 2449}
   (( segid "RPB1" and resid "34  " and name "HB1 "))
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
      2.300     0.700     0.700 peak  2449 weight  0.10000E+01 volume  0.14518E+08 ppm1      0.449 ppm2      1.361
 ASSI { 2467}
   (( segid "RPB1" and resid "37  " and name "HB2 "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.200     2.200     2.300 peak  2467 weight  0.10000E+01 volume  0.18614E+08 ppm1      0.916 ppm2      1.728
 ASSI { 2475}
   (( segid "RPB1" and resid "37  " and name "HB1 "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.100     2.100     2.400 peak  2475 weight  0.10000E+01 volume  0.20979E+08 ppm1      0.939 ppm2      1.522
 ASSI { 2477}
   (( segid "RPB1" and resid "24  " and name "HB  "))
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
      2.400     0.700     0.700 peak  2477 weight  0.10000E+01 volume  0.88847E+07 ppm1      0.389 ppm2      1.725
 ASSI { 2479}
   (( segid "RPB1" and resid "24  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG12"))
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
      2.200     0.600     0.600 peak  2479 weight  0.10000E+01 volume  0.15056E+08 ppm1      0.389 ppm2      0.778
 ASSI { 2496}
   (( segid "RPB1" and resid "11  " and name "HB1 "))
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
      2.100     2.100     2.400 peak  2496 weight  0.10000E+01 volume  0.20403E+08 ppm1      0.920 ppm2      1.881
 OR { 2496}
   (( segid "RPB1" and resid "11  " and name "HB2 "))
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
 ASSI { 2548}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "30  " and name "HA  "))
      2.700     0.900     0.900 peak  2548 weight  0.10000E+01 volume  0.52349E+07 ppm1      3.868 ppm2      0.763
 ASSI { 2564}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "34  " and name "HB2 "))
      2.700     2.700     1.800 peak  2564 weight  0.10000E+01 volume  0.48205E+07 ppm1      1.926 ppm2      0.983
 ASSI { 2577}
   (( segid "RPB1" and resid "49  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG22"))
   (( segid "RPB1" and resid "49  " and name "HA  "))
      2.700     0.900     0.900 peak  2577 weight  0.10000E+01 volume  0.46116E+07 ppm1      3.698 ppm2      0.839
 ASSI { 2601}
   (( segid "RPB1" and resid "31  " and name "HG2 "))
   (( segid "RPB1" and resid "49  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD12"))
      2.400     2.400     2.100 peak  2601 weight  0.10000E+01 volume  0.10656E+08 ppm1      0.713 ppm2      1.339
 ASSI { 2612}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "2   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD12"))
      2.100     2.100     2.400 peak  2612 weight  0.10000E+01 volume  0.21728E+08 ppm1      0.753 ppm2      1.001
 ASSI { 2617}
   (( segid "RPB1" and resid "31  " and name "HB1 "))
   (( segid "RPB1" and resid "31  " and name "HA  "))
      2.200     0.600     0.600 peak  2617 weight  0.10000E+01 volume  0.16701E+08 ppm1      3.825 ppm2      1.819
 ASSI { 2619}
   (( segid "RPB1" and resid "45  " and name "HG2 "))
   (( segid "RPB1" and resid "45  " and name "HA  "))
      2.400     0.700     0.700 peak  2619 weight  0.10000E+01 volume  0.10907E+08 ppm1      3.528 ppm2      1.694
 OR { 2619}
   (( segid "RPB1" and resid "45  " and name "HG1 "))
   (( segid "RPB1" and resid "45  " and name "HA  "))
 ASSI { 2620}
   (( segid "RPB1" and resid "25  " and name "HB1 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB3 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB2 "))
   (( segid "RPB1" and resid "23  " and name "HA  "))
      2.500     2.500     2.000 peak  2620 weight  0.10000E+01 volume  0.73405E+07 ppm1      3.996 ppm2      1.509
 ASSI { 2621}
   (( segid "RPB1" and resid "31  " and name "HG1 "))
   (( segid "RPB1" and resid "31  " and name "HA  "))
      2.500     0.800     0.800 peak  2621 weight  0.10000E+01 volume  0.76355E+07 ppm1      3.823 ppm2      1.393
 ASSI { 2622}
   (( segid "RPB1" and resid "49  " and name "HG11"))
   (( segid "RPB1" and resid "45  " and name "HA  "))
      2.400     2.400     2.100 peak  2622 weight  0.10000E+01 volume  0.98914E+07 ppm1      3.530 ppm2      1.108
 ASSI { 2624}
   (( segid "RPB1" and resid "34  " and name "HG  "))
   (( segid "RPB1" and resid "31  " and name "HA  "))
      2.800     1.000     1.000 peak  2624 weight  0.10000E+01 volume  0.35226E+07 ppm1      3.824 ppm2      0.774
 ASSI { 2628}
   (( segid "RPB1" and resid "46  " and name "HB2 "))
   (( segid "RPB1" and resid "46  " and name "HA  "))
      2.100     0.600     0.600 peak  2628 weight  0.10000E+01 volume  0.25013E+08 ppm1      3.796 ppm2      1.690
 ASSI { 2630}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "34  " and name "HA  "))
      2.300     0.700     0.700 peak  2630 weight  0.10000E+01 volume  0.12097E+08 ppm1      3.877 ppm2      0.967
 ASSI { 2632}
   (( segid "RPB1" and resid "34  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD22"))
   (( segid "RPB1" and resid "34  " and name "HA  "))
      2.300     0.700     0.700 peak  2632 weight  0.10000E+01 volume  0.13910E+08 ppm1      3.867 ppm2      0.637
 ASSI { 2637}
   (( segid "RPB1" and resid "34  " and name "HB2 "))
   (( segid "RPB1" and resid "35  " and name "HA  "))
      2.100     2.100     2.400 peak  2637 weight  0.10000E+01 volume  0.19611E+08 ppm1      4.153 ppm2      1.875
 ASSI { 2638}
   (( segid "RPB1" and resid "7   " and name "HB2 "))
   (( segid "RPB1" and resid "7   " and name "HA  "))
      2.200     0.600     0.600 peak  2638 weight  0.10000E+01 volume  0.17556E+08 ppm1      4.086 ppm2      1.736
 ASSI { 2640}
   (( segid "RPB1" and resid "28  " and name "HB2 "))
   (( segid "RPB1" and resid "28  " and name "HA  "))
      2.400     0.700     0.700 peak  2640 weight  0.10000E+01 volume  0.10617E+08 ppm1      4.141 ppm2      1.387
 ASSI { 2647}
   (( segid "RPB1" and resid "40  " and name "HB1 "))
   (( segid "RPB1" and resid "40  " and name "HA  "))
      2.300     0.700     0.700 peak  2647 weight  0.10000E+01 volume  0.11480E+08 ppm1      4.218 ppm2      1.659
 ASSI { 2648}
   (( segid "RPB1" and resid "40  " and name "HG1 "))
   (( segid "RPB1" and resid "40  " and name "HA  "))
      2.400     0.700     0.700 peak  2648 weight  0.10000E+01 volume  0.11010E+08 ppm1      4.216 ppm2      1.348
 ASSI { 2650}
   (( segid "RPB1" and resid "37  " and name "HB2 "))
   (( segid "RPB1" and resid "37  " and name "HA  "))
      2.200     2.200     2.300 peak  2650 weight  0.10000E+01 volume  0.15508E+08 ppm1      4.214 ppm2      1.767
 ASSI { 2652}
   (( segid "RPB1" and resid "37  " and name "HB1 "))
   (( segid "RPB1" and resid "37  " and name "HA  "))
      2.100     0.600     0.600 peak  2652 weight  0.10000E+01 volume  0.20244E+08 ppm1      4.205 ppm2      1.533
 ASSI { 2656}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "1   " and name "HB2 "))
      3.600     1.600     1.600 peak  2656 weight  0.10000E+01 volume  0.93866E+06 ppm1      2.238 ppm2      1.000
 ASSI { 2657}
   (( segid "RPB1" and resid "-1  " and name "HB2 "))
   (( segid "RPB1" and resid "-1  " and name "HB1 "))
      1.900     0.500     0.500 peak  2657 weight  0.10000E+01 volume  0.34931E+08 ppm1      3.067 ppm2      2.849
 ASSI { 2682}
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
      2.900     1.100     1.100 peak  2682 weight  0.10000E+01 volume  0.35198E+07 ppm1      0.751 ppm2      0.411
 ASSI { 2691}
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
      2.500     2.500     2.000 peak  2691 weight  0.10000E+01 volume  0.69661E+07 ppm1      0.935 ppm2      0.361
 ASSI { 2707}
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
   (( segid "RPB1" and resid "30  " and name "HA  "))
      2.800     1.000     1.000 peak  2707 weight  0.10000E+01 volume  0.43188E+07 ppm1      3.865 ppm2      0.408
 ASSI { 2731}
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
   (( segid "RPB1" and resid "34  " and name "HA  "))
      2.800     1.000     1.000 peak  2731 weight  0.10000E+01 volume  0.40862E+07 ppm1      3.885 ppm2      0.444
 ASSI { 2737}
   (( segid "RPB1" and resid "22  " and name "HN  "))
   (( segid "RPB1" and resid "22  " and name "HB1 "))
      2.500     0.800     0.800 peak  2737 weight  0.10000E+01 volume  0.82586E+07 ppm1      1.887 ppm2      7.802
 OR { 2737}
   (( segid "RPB1" and resid "22  " and name "HN  "))
   (( segid "RPB1" and resid "22  " and name "HB2 "))
 ASSI { 2743}
   (( segid "RPB1" and resid "46  " and name "HA  "))
   (( segid "RPB1" and resid "46  " and name "HB1 "))
      2.900     1.100     1.100 peak  2743 weight  0.10000E+01 volume  0.31927E+07 ppm1      1.787 ppm2      3.793
 ASSI { 2746}
   (( segid "RPB1" and resid "11  " and name "HE2 "))
   (( segid "RPB1" and resid "11  " and name "HG2 "))
      2.200     0.600     0.600 peak  2746 weight  0.10000E+01 volume  0.17820E+08 ppm1      1.724 ppm2      3.030
 OR { 2746}
   (( segid "RPB1" and resid "11  " and name "HE1 "))
   (( segid "RPB1" and resid "11  " and name "HG2 "))
 OR { 2746}
   (( segid "RPB1" and resid "11  " and name "HE2 "))
   (( segid "RPB1" and resid "11  " and name "HG1 "))
 OR { 2746}
   (( segid "RPB1" and resid "11  " and name "HE1 "))
   (( segid "RPB1" and resid "11  " and name "HG1 "))
 ASSI { 2747}
   (( segid "RPB1" and resid "2   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD12"))
   (( segid "RPB1" and resid "2   " and name "HG12"))
      2.200     0.600     0.600 peak  2747 weight  0.10000E+01 volume  0.18591E+08 ppm1      1.583 ppm2      0.740
 OR { 2747}
   (( segid "RPB1" and resid "2   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD12"))
   (( segid "RPB1" and resid "2   " and name "HG11"))
 ASSI { 2749}
   (( segid "RPB1" and resid "23  " and name "HN  "))
   (( segid "RPB1" and resid "23  " and name "HG2 "))
      2.500     2.500     2.000 peak  2749 weight  0.10000E+01 volume  0.72118E+07 ppm1      1.640 ppm2      7.931
 ASSI { 2752}
   (( segid "RPB1" and resid "20  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HE2 "))
   (( segid "RPB1" and resid "30  " and name "HG1 "))
      3.200     1.300     1.300 peak  2752 weight  0.10000E+01 volume  0.17127E+07 ppm1      1.975 ppm2      6.676
 OR { 2752}
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
   (( segid "RPB1" and resid "30  " and name "HG1 "))
 ASSI { 2754}
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
   (( segid "RPB1" and resid "23  " and name "HG2 "))
      2.900     1.100     1.100 peak  2754 weight  0.10000E+01 volume  0.32513E+07 ppm1      1.598 ppm2      0.921
 ASSI { 2757}
   (( segid "RPB1" and resid "48  " and name "HG  "))
   (( segid "RPB1" and resid "48  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD12"))
      2.300     0.700     0.700 peak  2757 weight  0.10000E+01 volume  0.13542E+08 ppm1      0.519 ppm2      1.359
 ASSI { 2758}
   (( segid "RPB1" and resid "49  " and name "HG11"))
   (( segid "RPB1" and resid "34  " and name "HG  "))
      3.800     1.800     1.700 peak  2758 weight  0.10000E+01 volume  0.65660E+06 ppm1      0.738 ppm2      1.120
 ASSI { 2763}
   (( segid "RPB1" and resid "5   " and name "HG1 "))
   (( segid "RPB1" and resid "5   " and name "HD1 "))
      2.100     0.600     0.600 peak  2763 weight  0.10000E+01 volume  0.24265E+08 ppm1      3.120 ppm2      1.421
 OR { 2763}
   (( segid "RPB1" and resid "5   " and name "HG1 "))
   (( segid "RPB1" and resid "5   " and name "HD2 "))
 OR { 2763}
   (( segid "RPB1" and resid "5   " and name "HB2 "))
   (( segid "RPB1" and resid "5   " and name "HD2 "))
 ASSI { 2766}
   (( segid "RPB1" and resid "22  " and name "HG2 "))
   (( segid "RPB1" and resid "22  " and name "HD2 "))
      2.100     0.600     0.600 peak  2766 weight  0.10000E+01 volume  0.24819E+08 ppm1      3.072 ppm2      1.630
 OR { 2766}
   (( segid "RPB1" and resid "22  " and name "HG1 "))
   (( segid "RPB1" and resid "22  " and name "HD2 "))
 ASSI { 2769}
   (( segid "RPB1" and resid "35  " and name "HA  "))
   (( segid "RPB1" and resid "35  " and name "HB2 "))
      2.400     0.700     0.700 peak  2769 weight  0.10000E+01 volume  0.93765E+07 ppm1      2.875 ppm2      4.201
 ASSI { 2770}
   (( segid "RPB1" and resid "9   " and name "HB1 "))
   (( segid "RPB1" and resid "9   " and name "HA  "))
      2.400     0.700     0.700 peak  2770 weight  0.10000E+01 volume  0.97299E+07 ppm1      4.899 ppm2      3.126
 ASSI { 2774}
   (( segid "RPB1" and resid "30  " and name "HB2 "))
   (( segid "RPB1" and resid "30  " and name "HB1 "))
      2.000     0.500     0.500 peak  2774 weight  0.10000E+01 volume  0.26216E+08 ppm1      2.860 ppm2      2.007
 ASSI { 2775}
   (( segid "RPB1" and resid "5   " and name "HG2 "))
   (( segid "RPB1" and resid "5   " and name "HB1 "))
      1.800     0.400     0.400 peak  2775 weight  0.10000E+01 volume  0.57936E+08 ppm1      1.428 ppm2      1.273
 OR { 2775}
   (( segid "RPB1" and resid "5   " and name "HG2 "))
   (( segid "RPB1" and resid "5   " and name "HB2 "))
 ASSI { 2777}
   (( segid "RPB1" and resid "47  " and name "HG2 "))
   (( segid "RPB1" and resid "47  " and name "HG1 "))
      1.900     0.500     0.500 peak  2777 weight  0.10000E+01 volume  0.37113E+08 ppm1      2.544 ppm2      2.724
 ASSI { 2782}
   (( segid "RPB1" and resid "34  " and name "HG  "))
   (( segid "RPB1" and resid "45  " and name "HB1 "))
      2.200     0.600     0.600 peak  2782 weight  0.10000E+01 volume  0.18142E+08 ppm1      1.833 ppm2      0.777
 ASSI { 2783}
   (( segid "RPB1" and resid "31  " and name "HA  "))
   (( segid "RPB1" and resid "31  " and name "HB2 "))
      2.500     0.800     0.800 peak  2783 weight  0.10000E+01 volume  0.75555E+07 ppm1      1.746 ppm2      3.850
 ASSI { 2787}
   (( segid "RPB1" and resid "12  " and name "HD1 "))
   (( segid "RPB1" and resid "11  " and name "HA  "))
      2.300     0.700     0.700 peak  2787 weight  0.10000E+01 volume  0.12982E+08 ppm1      4.469 ppm2      4.052
 ASSI { 2790}
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
   (( segid "RPB1" and resid "37  " and name "HA  "))
      2.300     0.700     0.700 peak  2790 weight  0.10000E+01 volume  0.11489E+08 ppm1      4.208 ppm2      0.958
 OR { 2790}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "37  " and name "HA  "))
 ASSI { 2796}
   (( segid "RPB1" and resid "51  " and name "HN  "))
   (( segid "RPB1" and resid "51  " and name "HB2 "))
      2.900     1.100     1.100 peak  2796 weight  0.10000E+01 volume  0.33576E+07 ppm1      3.162 ppm2      7.663
 ASSI { 2798}
   (( segid "RPB1" and resid "6   " and name "HN  "))
   (( segid "RPB1" and resid "6   " and name "HB1 "))
      2.900     1.100     1.100 peak  2798 weight  0.10000E+01 volume  0.32328E+07 ppm1      3.057 ppm2      8.847
 ASSI { 2802}
   (( segid "RPB1" and resid "23  " and name "HG2 "))
   (( segid "RPB1" and resid "23  " and name "HB1 "))
      1.700     1.700     2.800 peak  2802 weight  0.10000E+01 volume  0.71074E+08 ppm1      1.874 ppm2      1.657
 ASSI { 2804}
   (( segid "RPB1" and resid "52  " and name "HN  "))
   (( segid "RPB1" and resid "51  " and name "HD2 "))
      3.100     1.200     1.200 peak  2804 weight  0.10000E+01 volume  0.23233E+07 ppm1      7.046 ppm2      7.614
 ASSI { 2806}
   (( segid "RPB1" and resid "2   " and name "HA  "))
   (( segid "RPB1" and resid "3   " and name "HD2 "))
      2.700     0.900     0.900 peak  2806 weight  0.10000E+01 volume  0.49113E+07 ppm1      3.183 ppm2      4.158
 ASSI { 2814}
   (( segid "RPB1" and resid "41  " and name "HB1 "))
   (( segid "RPB1" and resid "43  " and name "HB2 "))
      2.700     0.900     0.900 peak  2814 weight  0.10000E+01 volume  0.43813E+07 ppm1      2.725 ppm2      2.338
 ASSI { 2817}
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
   (( segid "RPB1" and resid "44  " and name "HB2 "))
      2.800     2.800     1.700 peak  2817 weight  0.10000E+01 volume  0.40344E+07 ppm1      2.722 ppm2      0.457
 OR { 2817}
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
   (( segid "RPB1" and resid "44  " and name "HB1 "))
 ASSI { 2819}
   (( segid "RPB1" and resid "39  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD22"))
   (( segid "RPB1" and resid "44  " and name "HB2 "))
      2.700     0.900     0.900 peak  2819 weight  0.10000E+01 volume  0.48231E+07 ppm1      2.732 ppm2      0.334
 ASSI { 2822}
   (( segid "RPB1" and resid "39  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD22"))
   (( segid "RPB1" and resid "44  " and name "HB2 "))
      2.800     1.000     1.000 peak  2822 weight  0.10000E+01 volume  0.40258E+07 ppm1      2.677 ppm2      0.300
 OR { 2822}
   (( segid "RPB1" and resid "39  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD22"))
   (( segid "RPB1" and resid "44  " and name "HB1 "))
 ASSI { 2823}
   (( segid "RPB1" and resid "45  " and name "HG2 "))
   (( segid "RPB1" and resid "44  " and name "HB2 "))
      3.600     1.600     1.600 peak  2823 weight  0.10000E+01 volume  0.87619E+06 ppm1      2.684 ppm2      1.696
 OR { 2823}
   (( segid "RPB1" and resid "45  " and name "HG1 "))
   (( segid "RPB1" and resid "44  " and name "HB2 "))
 ASSI { 2827}
   (( segid "RPB1" and resid "5   " and name "HA  "))
   (( segid "RPB1" and resid "5   " and name "HB2 "))
      2.700     0.900     0.900 peak  2827 weight  0.10000E+01 volume  0.45128E+07 ppm1      1.417 ppm2      4.904
 OR { 2827}
   (( segid "RPB1" and resid "5   " and name "HA  "))
   (( segid "RPB1" and resid "5   " and name "HB1 "))
 ASSI { 2830}
   (( segid "RPB1" and resid "51  " and name "HB1 "))
   (( segid "RPB1" and resid "50  " and name "HB2 "))
      2.700     0.900     0.900 peak  2830 weight  0.10000E+01 volume  0.44672E+07 ppm1      3.908 ppm2      3.121
 OR { 2830}
   (( segid "RPB1" and resid "51  " and name "HB1 "))
   (( segid "RPB1" and resid "50  " and name "HB1 "))
 ASSI { 2834}
   (( segid "RPB1" and resid "8   " and name "HA  "))
   (( segid "RPB1" and resid "8   " and name "HB2 "))
      2.500     0.800     0.800 peak  2834 weight  0.10000E+01 volume  0.76118E+07 ppm1      3.838 ppm2      4.607
 ASSI { 2837}
   (( segid "RPB1" and resid "25  " and name "HB1 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB3 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB2 "))
   (( segid "RPB1" and resid "21  " and name "HG2 "))
      2.700     0.900     0.900 peak  2837 weight  0.10000E+01 volume  0.44890E+07 ppm1      2.329 ppm2      1.453
 ASSI { 2838}
   (( segid "RPB1" and resid "13  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG22"))
   (( segid "RPB1" and resid "13  " and name "HB  "))
      2.400     0.700     0.700 peak  2838 weight  0.10000E+01 volume  0.90743E+07 ppm1      2.328 ppm2      0.619
 ASSI { 2845}
   (( segid "RPB1" and resid "13  " and name "HB  "))
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
      2.300     0.700     0.700 peak  2845 weight  0.10000E+01 volume  0.12467E+08 ppm1      0.923 ppm2      2.349
 ASSI { 2846}
   (( segid "RPB1" and resid "17  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "17  " and name "HD2 "))
   (( segid "RPB1" and resid "13  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG22"))
      3.100     1.200     1.200 peak  2846 weight  0.10000E+01 volume  0.21373E+07 ppm1      0.608 ppm2      7.107
 ASSI { 2853}
   (( segid "RPB1" and resid "44  " and name "HB1 "))
   (( segid "RPB1" and resid "13  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG22"))
      3.200     1.300     1.300 peak  2853 weight  0.10000E+01 volume  0.18881E+07 ppm1      0.619 ppm2      2.697
 OR { 2853}
   (( segid "RPB1" and resid "44  " and name "HB2 "))
   (( segid "RPB1" and resid "13  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG22"))
 ASSI { 2854}
   (( segid "RPB1" and resid "34  " and name "HG  "))
   (( segid "RPB1" and resid "34  " and name "HB1 "))
      2.500     0.800     0.800 peak  2854 weight  0.10000E+01 volume  0.78138E+07 ppm1      1.349 ppm2      0.778
 ASSI { 2855}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "34  " and name "HB1 "))
      2.100     2.100     2.400 peak  2855 weight  0.10000E+01 volume  0.22486E+08 ppm1      1.343 ppm2      0.966
 ASSI { 2858}
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
   (( segid "RPB1" and resid "39  " and name "HB2 "))
      3.200     1.300     1.300 peak  2858 weight  0.10000E+01 volume  0.18020E+07 ppm1      1.220 ppm2      0.435
 ASSI { 2866}
   (( segid "RPB1" and resid "3   " and name "HG1 "))
   (( segid "RPB1" and resid "3   " and name "HG2 "))
      1.700     0.400     0.500 peak  2866 weight  0.10000E+01 volume  0.82047E+08 ppm1      2.091 ppm2      1.791
 ASSI { 2867}
   (( segid "RPB1" and resid "37  " and name "HB1 "))
   (( segid "RPB1" and resid "37  " and name "HG  "))
      2.600     0.800     0.800 peak  2867 weight  0.10000E+01 volume  0.55305E+07 ppm1      2.098 ppm2      1.523
 ASSI { 2869}
   (( segid "RPB1" and resid "37  " and name "HA  "))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
      3.500     1.500     1.500 peak  2869 weight  0.10000E+01 volume  0.94912E+06 ppm1      0.939 ppm2      4.216
 ASSI { 2871}
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
      2.600     0.800     0.800 peak  2871 weight  0.10000E+01 volume  0.59842E+07 ppm1      0.928 ppm2      0.431
 ASSI { 2873}
   (( segid "RPB1" and resid "7   " and name "HG  "))
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
      2.100     0.600     0.600 peak  2873 weight  0.10000E+01 volume  0.20824E+08 ppm1      0.931 ppm2      1.774
 ASSI { 2874}
   (( segid "RPB1" and resid "20  " and name "HB1 "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.700     0.900     0.900 peak  2874 weight  0.10000E+01 volume  0.54464E+07 ppm1      0.953 ppm2      3.103
 ASSI { 2882}
   (( segid "RPB1" and resid "16  " and name "HB1 "))
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
      3.200     1.300     1.300 peak  2882 weight  0.10000E+01 volume  0.17336E+07 ppm1      0.418 ppm2      3.139
 ASSI { 2883}
   (( segid "RPB1" and resid "34  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD22"))
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
      2.500     0.800     0.800 peak  2883 weight  0.10000E+01 volume  0.72702E+07 ppm1      0.422 ppm2      0.658
 ASSI { 2884}
   (( segid "RPB1" and resid "39  " and name "HA  "))
   (( segid "RPB1" and resid "39  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD22"))
      3.400     1.400     1.400 peak  2884 weight  0.10000E+01 volume  0.11194E+07 ppm1      0.320 ppm2      4.365
 ASSI { 2885}
   (( segid "RPB1" and resid "39  " and name "HB1 "))
   (( segid "RPB1" and resid "39  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD22"))
      2.600     0.800     0.800 peak  2885 weight  0.10000E+01 volume  0.55196E+07 ppm1      0.308 ppm2      1.216
 ASSI { 2887}
   (( segid "RPB1" and resid "13  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG22"))
   (( segid "RPB1" and resid "39  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD22"))
      2.600     0.800     0.800 peak  2887 weight  0.10000E+01 volume  0.59624E+07 ppm1      0.311 ppm2      0.634
 ASSI { 2890}
   (( segid "RPB1" and resid "44  " and name "HN  "))
   (( segid "RPB1" and resid "41  " and name "HB1 "))
      3.100     1.200     1.200 peak  2890 weight  0.10000E+01 volume  0.23385E+07 ppm1      2.314 ppm2      7.320
 ASSI { 2893}
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
   (( segid "RPB1" and resid "45  " and name "HA  "))
      3.200     1.300     1.300 peak  2893 weight  0.10000E+01 volume  0.18291E+07 ppm1      3.518 ppm2      0.398
 ASSI { 2894}
   (( segid "RPB1" and resid "34  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD22"))
   (( segid "RPB1" and resid "45  " and name "HA  "))
      2.800     2.800     1.700 peak  2894 weight  0.10000E+01 volume  0.36772E+07 ppm1      3.536 ppm2      0.631
 ASSI { 2895}
   (( segid "RPB1" and resid "48  " and name "HG  "))
   (( segid "RPB1" and resid "45  " and name "HA  "))
      2.700     0.900     0.900 peak  2895 weight  0.10000E+01 volume  0.43869E+07 ppm1      3.526 ppm2      1.348
 ASSI { 2896}
   (( segid "RPB1" and resid "45  " and name "HB1 "))
   (( segid "RPB1" and resid "45  " and name "HA  "))
      2.300     0.700     0.700 peak  2896 weight  0.10000E+01 volume  0.12593E+08 ppm1      3.534 ppm2      1.794
 ASSI { 2898}
   (( segid "RPB1" and resid "34  " and name "HG  "))
   (( segid "RPB1" and resid "45  " and name "HA  "))
      3.300     1.400     1.400 peak  2898 weight  0.10000E+01 volume  0.15196E+07 ppm1      3.534 ppm2      0.778
 ASSI { 2899}
   (( segid "RPB1" and resid "45  " and name "HN  "))
   (( segid "RPB1" and resid "45  " and name "HB2 "))
      3.200     1.300     1.300 peak  2899 weight  0.10000E+01 volume  0.16207E+07 ppm1      1.610 ppm2      7.656
 ASSI { 2901}
   (( segid "RPB1" and resid "46  " and name "HD1 "))
   (( segid "RPB1" and resid "46  " and name "HA  "))
      2.700     2.700     1.800 peak  2901 weight  0.10000E+01 volume  0.45677E+07 ppm1      3.803 ppm2      3.047
 OR { 2901}
   (( segid "RPB1" and resid "46  " and name "HD2 "))
   (( segid "RPB1" and resid "46  " and name "HA  "))
 ASSI { 2903}
   (( segid "RPB1" and resid "49  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD12"))
   (( segid "RPB1" and resid "46  " and name "HA  "))
      2.800     1.000     1.000 peak  2903 weight  0.10000E+01 volume  0.42318E+07 ppm1      3.794 ppm2      0.699
 ASSI { 2904}
   (( segid "RPB1" and resid "46  " and name "HN  "))
   (( segid "RPB1" and resid "46  " and name "HB1 "))
      2.800     1.000     1.000 peak  2904 weight  0.10000E+01 volume  0.40061E+07 ppm1      1.786 ppm2      8.016
 ASSI { 2905}
   (( segid "RPB1" and resid "12  " and name "HD1 "))
   (( segid "RPB1" and resid "11  " and name "HG2 "))
      3.300     1.400     1.400 peak  2905 weight  0.10000E+01 volume  0.15082E+07 ppm1      1.674 ppm2      4.033
 OR { 2905}
   (( segid "RPB1" and resid "12  " and name "HD1 "))
   (( segid "RPB1" and resid "11  " and name "HG1 "))
 ASSI { 2907}
   (( segid "RPB1" and resid "47  " and name "HG1 "))
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
      2.600     0.800     0.800 peak  2907 weight  0.10000E+01 volume  0.58451E+07 ppm1      1.974 ppm2      2.544
 ASSI { 2908}
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
      2.600     0.800     0.800 peak  2908 weight  0.10000E+01 volume  0.56741E+07 ppm1      1.971 ppm2      0.922
 ASSI { 2909}
   (( segid "RPB1" and resid "2   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG22"))
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
      2.600     2.600     1.900 peak  2909 weight  0.10000E+01 volume  0.54835E+07 ppm1      1.964 ppm2      0.641
 ASSI { 2910}
   (( segid "RPB1" and resid "2   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG22"))
   (( segid "RPB1" and resid "2   " and name "HA  "))
      3.300     1.400     1.400 peak  2910 weight  0.10000E+01 volume  0.15154E+07 ppm1      4.129 ppm2      0.701
 OR { 2910}
   (( segid "RPB1" and resid "2   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD12"))
   (( segid "RPB1" and resid "2   " and name "HA  "))
 ASSI { 2911}
   (( segid "RPB1" and resid "52  " and name "HB  "))
   (( segid "RPB1" and resid "48  " and name "HA  "))
      2.000     0.500     0.500 peak  2911 weight  0.10000E+01 volume  0.28590E+08 ppm1      3.862 ppm2      1.969
 ASSI { 2912}
   (( segid "RPB1" and resid "40  " and name "HA  "))
   (( segid "RPB1" and resid "40  " and name "HD2 "))
      2.700     0.900     0.900 peak  2912 weight  0.10000E+01 volume  0.48756E+07 ppm1      1.604 ppm2      4.244
 OR { 2912}
   (( segid "RPB1" and resid "40  " and name "HA  "))
   (( segid "RPB1" and resid "40  " and name "HD1 "))
 ASSI { 2916}
   (( segid "RPB1" and resid "2   " and name "HB  "))
   (( segid "RPB1" and resid "2   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG22"))
      2.600     0.800     0.800 peak  2916 weight  0.10000E+01 volume  0.64723E+07 ppm1      0.674 ppm2      1.583
 OR { 2916}
   (( segid "RPB1" and resid "2   " and name "HG12"))
   (( segid "RPB1" and resid "2   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG22"))
 ASSI { 2918}
   (( segid "RPB1" and resid "3   " and name "HG1 "))
   (( segid "RPB1" and resid "3   " and name "HD1 "))
      3.000     1.100     1.100 peak  2918 weight  0.10000E+01 volume  0.25705E+07 ppm1      3.572 ppm2      1.820
 ASSI { 2919}
   (( segid "RPB1" and resid "12  " and name "HA  "))
   (( segid "RPB1" and resid "12  " and name "HB2 "))
      2.500     0.800     0.800 peak  2919 weight  0.10000E+01 volume  0.73807E+07 ppm1      2.108 ppm2      4.771
 OR { 2919}
   (( segid "RPB1" and resid "12  " and name "HA  "))
   (( segid "RPB1" and resid "12  " and name "HB1 "))
 ASSI { 2920}
   (( segid "RPB1" and resid "12  " and name "HD1 "))
   (( segid "RPB1" and resid "12  " and name "HB2 "))
      2.600     0.800     0.800 peak  2920 weight  0.10000E+01 volume  0.60316E+07 ppm1      2.102 ppm2      4.051
 OR { 2920}
   (( segid "RPB1" and resid "12  " and name "HD1 "))
   (( segid "RPB1" and resid "12  " and name "HB1 "))
 ASSI { 2923}
   (( segid "RPB1" and resid "12  " and name "HA  "))
   (( segid "RPB1" and resid "12  " and name "HD2 "))
      3.200     1.300     1.300 peak  2923 weight  0.10000E+01 volume  0.19217E+07 ppm1      3.699 ppm2      4.786
 ASSI { 2926}
   (( segid "RPB1" and resid "11  " and name "HD2 "))
   (( segid "RPB1" and resid "12  " and name "HD2 "))
      3.100     1.200     1.200 peak  2926 weight  0.10000E+01 volume  0.23323E+07 ppm1      3.705 ppm2      1.511
 ASSI { 2927}
   (( segid "RPB1" and resid "14  " and name "HA  "))
   (( segid "RPB1" and resid "14  " and name "HB1 "))
      1.900     0.500     0.500 peak  2927 weight  0.10000E+01 volume  0.39286E+08 ppm1      3.766 ppm2      4.725
 ASSI { 2928}
   (( segid "RPB1" and resid "14  " and name "HB2 "))
   (( segid "RPB1" and resid "14  " and name "HB1 "))
      2.800     1.000     1.000 peak  2928 weight  0.10000E+01 volume  0.35435E+07 ppm1      3.776 ppm2      3.395
 ASSI { 2933}
   (( segid "RPB1" and resid "20  " and name "HN  "))
   (( segid "RPB1" and resid "19  " and name "HA  "))
      2.600     2.600     1.900 peak  2933 weight  0.10000E+01 volume  0.54644E+07 ppm1      4.110 ppm2      8.177
 ASSI { 2936}
   (( segid "RPB1" and resid "20  " and name "HN  "))
   (( segid "RPB1" and resid "19  " and name "HB1 "))
      2.700     0.900     0.900 peak  2936 weight  0.10000E+01 volume  0.50162E+07 ppm1      2.120 ppm2      8.191
 ASSI { 2937}
   (( segid "RPB1" and resid "20  " and name "HN  "))
   (( segid "RPB1" and resid "19  " and name "HB2 "))
      2.600     0.800     0.800 peak  2937 weight  0.10000E+01 volume  0.65568E+07 ppm1      1.940 ppm2      8.160
 ASSI { 2941}
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
   (( segid "RPB1" and resid "21  " and name "HA  "))
      4.400     2.400     1.100 peak  2941 weight  0.10000E+01 volume  0.27494E+06 ppm1      3.593 ppm2      6.697
 ASSI { 2942}
   (( segid "RPB1" and resid "21  " and name "HG1 "))
   (( segid "RPB1" and resid "21  " and name "HA  "))
      2.700     0.900     0.900 peak  2942 weight  0.10000E+01 volume  0.48302E+07 ppm1      3.609 ppm2      2.158
 ASSI { 2943}
   (( segid "RPB1" and resid "24  " and name "HB  "))
   (( segid "RPB1" and resid "21  " and name "HA  "))
      2.400     0.700     0.700 peak  2943 weight  0.10000E+01 volume  0.10445E+08 ppm1      3.592 ppm2      1.738
 ASSI { 2949}
   (( segid "RPB1" and resid "52  " and name "HA  "))
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
      2.500     0.800     0.800 peak  2949 weight  0.10000E+01 volume  0.71939E+07 ppm1      0.757 ppm2      3.621
 ASSI { 2950}
   (( segid "RPB1" and resid "48  " and name "HA  "))
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
      2.300     0.700     0.700 peak  2950 weight  0.10000E+01 volume  0.14474E+08 ppm1      0.766 ppm2      3.935
 OR { 2950}
   (( segid "RPB1" and resid "48  " and name "HA  "))
   (( segid "RPB1" and resid "52  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG12"))
 ASSI { 2952}
   (( segid "RPB1" and resid "30  " and name "HB1 "))
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
      3.000     1.100     1.100 peak  2952 weight  0.10000E+01 volume  0.28392E+07 ppm1      0.385 ppm2      2.871
 ASSI { 2953}
   (( segid "RPB1" and resid "21  " and name "HA  "))
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
      3.000     1.100     1.100 peak  2953 weight  0.10000E+01 volume  0.24310E+07 ppm1      0.388 ppm2      3.618
 ASSI { 2955}
   (( segid "RPB1" and resid "25  " and name "HN  "))
   (( segid "RPB1" and resid "24  " and name "HB  "))
      2.600     0.800     0.800 peak  2955 weight  0.10000E+01 volume  0.56935E+07 ppm1      1.736 ppm2      8.038
 ASSI { 2965}
   (( segid "RPB1" and resid "47  " and name "HB2 "))
   (( segid "RPB1" and resid "48  " and name "HA  "))
      2.500     2.500     2.000 peak  2965 weight  0.10000E+01 volume  0.72822E+07 ppm1      3.875 ppm2      2.387
 ASSI { 2966}
   (( segid "RPB1" and resid "2   " and name "HB  "))
   (( segid "RPB1" and resid "2   " and name "HA  "))
      2.300     0.700     0.700 peak  2966 weight  0.10000E+01 volume  0.12897E+08 ppm1      4.120 ppm2      1.627
 ASSI { 2967}
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
   (( segid "RPB1" and resid "48  " and name "HG  "))
      2.900     1.100     1.100 peak  2967 weight  0.10000E+01 volume  0.29589E+07 ppm1      1.352 ppm2      0.350
 ASSI { 2968}
   (( segid "RPB1" and resid "16  " and name "HB2 "))
   (( segid "RPB1" and resid "39  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD22"))
      3.300     1.400     1.400 peak  2968 weight  0.10000E+01 volume  0.15990E+07 ppm1      0.320 ppm2      2.791
 ASSI { 2970}
   (( segid "RPB1" and resid "49  " and name "HG11"))
   (( segid "RPB1" and resid "49  " and name "HB  "))
      3.000     1.100     1.100 peak  2970 weight  0.10000E+01 volume  0.24564E+07 ppm1      1.679 ppm2      1.104
 ASSI { 2973}
   (( segid "RPB1" and resid "53  " and name "HN  "))
   (( segid "RPB1" and resid "52  " and name "HA  "))
      2.800     1.000     1.000 peak  2973 weight  0.10000E+01 volume  0.42562E+07 ppm1      3.602 ppm2      8.008
 ASSI { 2980}
   (( segid "RPB1" and resid "40  " and name "HB2 "))
   (( segid "RPB1" and resid "40  " and name "HG2 "))
      2.300     0.700     0.700 peak  2980 weight  0.10000E+01 volume  0.13218E+08 ppm1      1.339 ppm2      1.886
 OR { 2980}
   (( segid "RPB1" and resid "40  " and name "HB2 "))
   (( segid "RPB1" and resid "40  " and name "HG1 "))
 ASSI { 2984}
   (( segid "RPB1" and resid "33  " and name "HA  "))
   (( segid "RPB1" and resid "36  " and name "HB1 "))
      5.000     3.100     0.500 peak  2984 weight  0.10000E+01 volume  0.12446E+06 ppm1      2.887 ppm2      3.431
 ASSI { 2987}
   (( segid "RPB1" and resid "36  " and name "HN  "))
   (( segid "RPB1" and resid "35  " and name "HB1 "))
      2.800     1.000     1.000 peak  2987 weight  0.10000E+01 volume  0.42459E+07 ppm1      2.680 ppm2      8.119
 ASSI { 2990}
   (( segid "RPB1" and resid "32  " and name "HA  "))
   (( segid "RPB1" and resid "35  " and name "HB1 "))
      2.500     0.800     0.800 peak  2990 weight  0.10000E+01 volume  0.86322E+07 ppm1      2.676 ppm2      4.392
 ASSI { 2991}
   (( segid "RPB1" and resid "33  " and name "HA  "))
   (( segid "RPB1" and resid "33  " and name "HB  "))
      2.900     1.100     1.100 peak  2991 weight  0.10000E+01 volume  0.34183E+07 ppm1      2.016 ppm2      3.435
 ASSI { 2992}
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
   (( segid "RPB1" and resid "33  " and name "HB  "))
      3.200     1.300     1.300 peak  2992 weight  0.10000E+01 volume  0.16110E+07 ppm1      2.029 ppm2      6.676
 ASSI { 2995}
   (( segid "RPB1" and resid "20  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HE2 "))
   (( segid "RPB1" and resid "30  " and name "HB1 "))
      2.800     1.000     1.000 peak  2995 weight  0.10000E+01 volume  0.38399E+07 ppm1      2.871 ppm2      6.666
 ASSI { 2999}
   (( segid "RPB1" and resid "-1  " and name "HB2 "))
   (( segid "RPB1" and resid "-1  " and name "HA  "))
      3.700     1.700     1.700 peak  2999 weight  0.10000E+01 volume  0.69645E+06 ppm1      4.115 ppm2      2.825
 ASSI { 3000}
   (( segid "RPB1" and resid "-1  " and name "HB1 "))
   (( segid "RPB1" and resid "-1  " and name "HA  "))
      3.400     1.400     1.400 peak  3000 weight  0.10000E+01 volume  0.13176E+07 ppm1      4.093 ppm2      3.109
 ASSI { 3004}
   (( segid "RPB1" and resid "10  " and name "HA2 "))
   (( segid "RPB1" and resid "10  " and name "HA1 "))
      2.000     0.500     0.500 peak  3004 weight  0.10000E+01 volume  0.31543E+08 ppm1      4.188 ppm2      3.800
 ASSI { 3005}
   (( segid "RPB1" and resid "49  " and name "HG11"))
   (( segid "RPB1" and resid "49  " and name "HA  "))
      3.100     1.200     1.200 peak  3005 weight  0.10000E+01 volume  0.21514E+07 ppm1      3.709 ppm2      1.087
 ASSI {    1}
   (( segid "RPB1" and resid "17  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "17  " and name "HD2 "))
   (( segid "RPB1" and resid "17  " and name "HA  "))
      2.400     0.700     0.700 peak     1 weight  0.10000E+01 volume  0.11584E+08 ppm1      7.124 ppm2      4.084
 ASSI {    4}
   (( segid "RPB1" and resid "20  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HE2 "))
   (( segid "RPB1" and resid "30  " and name "HA  "))
      2.700     2.700     1.800 peak     4 weight  0.10000E+01 volume  0.55922E+07 ppm1      6.675 ppm2      3.896
 ASSI {    7}
   (( segid "RPB1" and resid "16  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "16  " and name "HD2 "))
   (( segid "RPB1" and resid "16  " and name "HB1 "))
      2.100     0.600     0.600 peak     7 weight  0.10000E+01 volume  0.26566E+08 ppm1      7.124 ppm2      3.170
 ASSI {    9}
   (( segid "RPB1" and resid "42  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "42  " and name "HD2 "))
   (( segid "RPB1" and resid "46  " and name "HD2 "))
      2.300     2.300     2.200 peak     9 weight  0.10000E+01 volume  0.16685E+08 ppm1      7.159 ppm2      3.055
 OR {    9}
   (( segid "RPB1" and resid "42  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "42  " and name "HD2 "))
   (( segid "RPB1" and resid "46  " and name "HD1 "))
 ASSI {   13}
   (( segid "RPB1" and resid "17  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "17  " and name "HD2 "))
   (( segid "RPB1" and resid "13  " and name "HB  "))
      2.800     1.000     1.000 peak    13 weight  0.10000E+01 volume  0.51380E+07 ppm1      7.153 ppm2      2.356
 ASSI {   15}
   (( segid "RPB1" and resid "20  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HE2 "))
   (( segid "RPB1" and resid "30  " and name "HB2 "))
      2.200     0.600     0.600 peak    15 weight  0.10000E+01 volume  0.22591E+08 ppm1      6.683 ppm2      2.000
 OR {   15}
   (( segid "RPB1" and resid "20  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HE2 "))
   (( segid "RPB1" and resid "30  " and name "HG1 "))
 ASSI {   16}
   (( segid "RPB1" and resid "42  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "42  " and name "HD2 "))
   (( segid "RPB1" and resid "46  " and name "HG1 "))
      2.800     1.000     1.000 peak    16 weight  0.10000E+01 volume  0.44335E+07 ppm1      7.153 ppm2      1.549
 ASSI {   18}
   (( segid "RPB1" and resid "21  " and name "HE21"))
   (( segid "RPB1" and resid "54  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG22"))
      2.800     1.000     1.000 peak    18 weight  0.10000E+01 volume  0.51409E+07 ppm1      7.037 ppm2      1.101
 ASSI {   19}
   (( segid "RPB1" and resid "16  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "16  " and name "HE2 "))
   (( segid "RPB1" and resid "15  " and name "HB1 ")
     OR 
    ( segid "RPB1" and resid "15  " and name "HB3 ")
     OR 
    ( segid "RPB1" and resid "15  " and name "HB2 "))
      2.800     2.800     1.700 peak    19 weight  0.10000E+01 volume  0.52718E+07 ppm1      6.923 ppm2      1.060
 ASSI {   22}
   (( segid "RPB1" and resid "17  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "17  " and name "HD2 "))
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
      2.600     0.800     0.800 peak    22 weight  0.10000E+01 volume  0.69802E+07 ppm1      7.123 ppm2      0.811
 ASSI {   25}
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
   (( segid "RPB1" and resid "34  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD22"))
      2.400     0.700     0.700 peak    25 weight  0.10000E+01 volume  0.11992E+08 ppm1      6.681 ppm2      0.606
 ASSI {   26}
   (( segid "RPB1" and resid "20  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HE2 "))
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
      2.300     0.700     0.700 peak    26 weight  0.10000E+01 volume  0.14140E+08 ppm1      6.683 ppm2      0.409
 OR {   26}
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
 ASSI {   28}
   (( segid "RPB1" and resid "17  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "17  " and name "HE2 "))
   (( segid "RPB1" and resid "39  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD22"))
      2.900     1.100     1.100 peak    28 weight  0.10000E+01 volume  0.40698E+07 ppm1      6.990 ppm2      0.309
 ASSI {   33}
   (( segid "RPB1" and resid "16  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "16  " and name "HE2 "))
   (( segid "RPB1" and resid "16  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "16  " and name "HD2 "))
      2.200     0.600     0.600 peak    33 weight  0.10000E+01 volume  0.20351E+08 ppm1      6.919 ppm2      7.137
 ASSI {   35}
   (( segid "RPB1" and resid "17  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "17  " and name "HD2 "))
   (( segid "RPB1" and resid "17  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "17  " and name "HE2 "))
      2.300     0.700     0.700 peak    35 weight  0.10000E+01 volume  0.16343E+08 ppm1      7.124 ppm2      6.984
 ASSI {   37}
   (( segid "RPB1" and resid "42  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "42  " and name "HD2 "))
   (( segid "RPB1" and resid "42  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "42  " and name "HE2 "))
      2.100     0.600     0.600 peak    37 weight  0.10000E+01 volume  0.27628E+08 ppm1      7.155 ppm2      6.849
 ASSI {   42}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
      2.300     0.700     0.700 peak    42 weight  0.10000E+01 volume  0.14272E+08 ppm1      0.961 ppm2      6.685
 ASSI {   47}
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
   (( segid "RPB1" and resid "20  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HE2 "))
      2.500     2.500     2.000 peak    47 weight  0.10000E+01 volume  0.10362E+08 ppm1      0.781 ppm2      6.670
 ASSI {   48}
   (( segid "RPB1" and resid "30  " and name "HB2 "))
   (( segid "RPB1" and resid "20  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HE2 "))
      2.200     0.600     0.600 peak    48 weight  0.10000E+01 volume  0.21821E+08 ppm1      2.014 ppm2      6.666
 ASSI {   51}
   (( segid "RPB1" and resid "20  " and name "HA  "))
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
      2.400     0.700     0.700 peak    51 weight  0.10000E+01 volume  0.10922E+08 ppm1      3.969 ppm2      6.688
 ASSI {   64}
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
   (( segid "RPB1" and resid "37  " and name "HG  "))
      2.000     0.500     0.500 peak    64 weight  0.10000E+01 volume  0.32830E+08 ppm1      0.972 ppm2      2.125
 ASSI {   71}
   (( segid "RPB1" and resid "49  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG22"))
   (( segid "RPB1" and resid "30  " and name "HB2 "))
      2.100     0.600     0.600 peak    71 weight  0.10000E+01 volume  0.25592E+08 ppm1      0.825 ppm2      2.000
 ASSI {   73}
   (( segid "RPB1" and resid "34  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD22"))
   (( segid "RPB1" and resid "30  " and name "HB2 "))
      2.300     0.700     0.700 peak    73 weight  0.10000E+01 volume  0.16268E+08 ppm1      0.635 ppm2      1.984
 ASSI {   74}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
      2.100     0.600     0.600 peak    74 weight  0.10000E+01 volume  0.30705E+08 ppm1      0.967 ppm2      1.959
 ASSI {   78}
   (( segid "RPB1" and resid "4   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG22"))
   (( segid "RPB1" and resid "4   " and name "HB  "))
      2.100     0.600     0.600 peak    78 weight  0.10000E+01 volume  0.29959E+08 ppm1      0.947 ppm2      1.877
 ASSI {   84}
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
   (( segid "RPB1" and resid "7   " and name "HG  "))
      2.100     2.100     2.400 peak    84 weight  0.10000E+01 volume  0.24868E+08 ppm1      0.788 ppm2      1.733
 ASSI {   93}
   (( segid "RPB1" and resid "2   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG22"))
   (( segid "RPB1" and resid "2   " and name "HG12"))
      2.200     0.600     0.600 peak    93 weight  0.10000E+01 volume  0.20074E+08 ppm1      0.695 ppm2      1.557
 OR {   93}
   (( segid "RPB1" and resid "2   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG22"))
   (( segid "RPB1" and resid "2   " and name "HG11"))
 ASSI {   94}
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
   (( segid "RPB1" and resid "37  " and name "HB1 "))
      2.200     0.600     0.600 peak    94 weight  0.10000E+01 volume  0.22912E+08 ppm1      0.965 ppm2      1.532
 ASSI {   98}
   (( segid "RPB1" and resid "39  " and name "HG  "))
   (( segid "RPB1" and resid "37  " and name "HB1 "))
      2.700     0.900     0.900 peak    98 weight  0.10000E+01 volume  0.67241E+07 ppm1      1.030 ppm2      1.508
 ASSI {  101}
   (( segid "RPB1" and resid "49  " and name "HG11"))
   (( segid "RPB1" and resid "31  " and name "HG1 "))
      2.300     2.300     2.200 peak   101 weight  0.10000E+01 volume  0.14813E+08 ppm1      1.068 ppm2      1.396
 ASSI {  104}
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
   (( segid "RPB1" and resid "48  " and name "HG  "))
      2.000     2.000     2.500 peak   104 weight  0.10000E+01 volume  0.39247E+08 ppm1      0.777 ppm2      1.371
 ASSI {  107}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "48  " and name "HG  "))
      1.800     1.800     2.700 peak   107 weight  0.10000E+01 volume  0.65235E+08 ppm1      0.986 ppm2      1.360
 ASSI {  127}
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
   (( segid "RPB1" and resid "39  " and name "HG  "))
      2.400     0.700     0.700 peak   127 weight  0.10000E+01 volume  0.11003E+08 ppm1      0.474 ppm2      1.045
 ASSI {  137}
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
   (( segid "RPB1" and resid "48  " and name "HB1 "))
      2.100     0.600     0.600 peak   137 weight  0.10000E+01 volume  0.29802E+08 ppm1      0.784 ppm2      0.947
 ASSI {  142}
   (( segid "RPB1" and resid "49  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD12"))
   (( segid "RPB1" and resid "49  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG22"))
      2.100     0.600     0.600 peak   142 weight  0.10000E+01 volume  0.30322E+08 ppm1      0.719 ppm2      0.866
 ASSI {  153}
   (( segid "RPB1" and resid "34  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD22"))
   (( segid "RPB1" and resid "34  " and name "HG  "))
      2.300     0.700     0.700 peak   153 weight  0.10000E+01 volume  0.17163E+08 ppm1      0.625 ppm2      0.769
 ASSI {  156}
   (( segid "RPB1" and resid "49  " and name "HG11"))
   (( segid "RPB1" and resid "45  " and name "HB2 "))
      1.900     1.900     2.600 peak   156 weight  0.10000E+01 volume  0.56345E+08 ppm1      1.107 ppm2      1.617
 ASSI {  168}
   (( segid "RPB1" and resid "22  " and name "HB1 "))
   (( segid "RPB1" and resid "19  " and name "HG1 "))
      2.300     2.300     2.200 peak   168 weight  0.10000E+01 volume  0.15624E+08 ppm1      1.884 ppm2      2.259
 OR {  168}
   (( segid "RPB1" and resid "22  " and name "HB2 "))
   (( segid "RPB1" and resid "19  " and name "HG1 "))
 ASSI {  171}
   (( segid "RPB1" and resid "30  " and name "HB2 "))
   (( segid "RPB1" and resid "30  " and name "HG2 "))
      1.900     0.500     0.500 peak   171 weight  0.10000E+01 volume  0.46226E+08 ppm1      2.014 ppm2      2.172
 ASSI {  180}
   (( segid "RPB1" and resid "4   " and name "HB  "))
   (( segid "RPB1" and resid "3   " and name "HG2 "))
      2.300     0.700     0.700 peak   180 weight  0.10000E+01 volume  0.17430E+08 ppm1      1.854 ppm2      2.104
 ASSI {  183}
   (( segid "RPB1" and resid "7   " and name "HB1 "))
   (( segid "RPB1" and resid "1   " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE2 "))
      2.000     0.500     0.500 peak   183 weight  0.10000E+01 volume  0.39499E+08 ppm1      1.661 ppm2      2.036
 ASSI {  209}
   (( segid "RPB1" and resid "5   " and name "HB1 "))
   (( segid "RPB1" and resid "7   " and name "HB1 "))
      2.200     2.200     2.300 peak   209 weight  0.10000E+01 volume  0.22316E+08 ppm1      1.423 ppm2      1.656
 OR {  209}
   (( segid "RPB1" and resid "5   " and name "HB2 "))
   (( segid "RPB1" and resid "7   " and name "HB1 "))
 ASSI {  218}
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
   (( segid "RPB1" and resid "46  " and name "HG1 "))
      1.800     1.800     2.700 peak   218 weight  0.10000E+01 volume  0.70074E+08 ppm1      1.976 ppm2      1.538
 ASSI {  227}
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
   (( segid "RPB1" and resid "5   " and name "HG1 "))
      2.300     0.700     0.700 peak   227 weight  0.10000E+01 volume  0.16367E+08 ppm1      1.979 ppm2      1.390
 ASSI {  229}
   (( segid "RPB1" and resid "40  " and name "HB1 "))
   (( segid "RPB1" and resid "40  " and name "HG2 "))
      2.000     0.500     0.500 peak   229 weight  0.10000E+01 volume  0.37451E+08 ppm1      1.694 ppm2      1.382
 ASSI {  230}
   (( segid "RPB1" and resid "34  " and name "HB2 "))
   (( segid "RPB1" and resid "34  " and name "HB1 "))
      1.800     0.400     0.400 peak   230 weight  0.10000E+01 volume  0.77417E+08 ppm1      1.891 ppm2      1.374
 ASSI {  234}
   (( segid "RPB1" and resid "23  " and name "HG1 "))
   (( segid "RPB1" and resid "28  " and name "HB2 "))
      2.200     0.600     0.600 peak   234 weight  0.10000E+01 volume  0.22468E+08 ppm1      2.025 ppm2      1.357
 ASSI {  250}
   (( segid "RPB1" and resid "47  " and name "HB2 "))
   (( segid "RPB1" and resid "47  " and name "HB1 "))
      1.900     0.500     0.500 peak   250 weight  0.10000E+01 volume  0.46931E+08 ppm1      2.411 ppm2      2.170
 ASSI {  251}
   (( segid "RPB1" and resid "1   " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE2 "))
   (( segid "RPB1" and resid "1   " and name "HB1 "))
      2.500     0.800     0.800 peak   251 weight  0.10000E+01 volume  0.10710E+08 ppm1      2.071 ppm2      2.437
 ASSI {  259}
   (( segid "RPB1" and resid "48  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD12"))
   (( segid "RPB1" and resid "13  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG22"))
      2.600     0.800     0.800 peak   259 weight  0.10000E+01 volume  0.71693E+07 ppm1      0.527 ppm2      0.624
 ASSI {  260}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "34  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD22"))
      2.000     0.500     0.500 peak   260 weight  0.10000E+01 volume  0.37588E+08 ppm1      0.963 ppm2      0.616
 ASSI {  274}
   (( segid "RPB1" and resid "49  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG22"))
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
      2.500     2.500     2.000 peak   274 weight  0.10000E+01 volume  0.10742E+08 ppm1      0.860 ppm2      0.464
 ASSI {  280}
   (( segid "RPB1" and resid "48  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD12"))
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
      2.900     1.100     1.100 peak   280 weight  0.10000E+01 volume  0.39207E+07 ppm1      0.537 ppm2      0.413
 ASSI {  282}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
      2.300     0.700     0.700 peak   282 weight  0.10000E+01 volume  0.14863E+08 ppm1      0.963 ppm2      0.408
 ASSI {  283}
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
      2.000     0.500     0.500 peak   283 weight  0.10000E+01 volume  0.34507E+08 ppm1      0.787 ppm2      0.405
 ASSI {  287}
   (( segid "RPB1" and resid "39  " and name "HG  "))
   (( segid "RPB1" and resid "39  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD22"))
      2.400     0.700     0.700 peak   287 weight  0.10000E+01 volume  0.12794E+08 ppm1      1.062 ppm2      0.320
 ASSI {  288}
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
   (( segid "RPB1" and resid "39  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD22"))
      2.300     0.700     0.700 peak   288 weight  0.10000E+01 volume  0.14710E+08 ppm1      0.475 ppm2      0.315
 ASSI {  292}
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
   (( segid "RPB1" and resid "39  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD22"))
      2.400     0.700     0.700 peak   292 weight  0.10000E+01 volume  0.11695E+08 ppm1      0.973 ppm2      0.297
 ASSI {  306}
   (( segid "RPB1" and resid "39  " and name "HB1 "))
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
      2.300     0.700     0.700 peak   306 weight  0.10000E+01 volume  0.15394E+08 ppm1      1.205 ppm2      0.903
 ASSI {  310}
   (( segid "RPB1" and resid "49  " and name "HG11"))
   (( segid "RPB1" and resid "49  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG22"))
      2.200     0.600     0.600 peak   310 weight  0.10000E+01 volume  0.19513E+08 ppm1      1.101 ppm2      0.857
 ASSI {  311}
   (( segid "RPB1" and resid "5   " and name "HG2 "))
   (( segid "RPB1" and resid "4   " and name "HG11")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG13")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG12"))
      2.200     2.200     2.300 peak   311 weight  0.10000E+01 volume  0.19639E+08 ppm1      1.258 ppm2      0.854
 ASSI {  315}
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
      1.800     0.400     0.400 peak   315 weight  0.10000E+01 volume  0.64662E+08 ppm1      0.959 ppm2      0.771
 ASSI {  317}
   (( segid "RPB1" and resid "54  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG22"))
   (( segid "RPB1" and resid "52  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG12"))
      2.100     0.600     0.600 peak   317 weight  0.10000E+01 volume  0.30781E+08 ppm1      1.090 ppm2      0.720
 ASSI {  319}
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
   (( segid "RPB1" and resid "13  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG22"))
      2.700     0.900     0.900 peak   319 weight  0.10000E+01 volume  0.54397E+07 ppm1      0.417 ppm2      0.620
 ASSI {  353}
   (( segid "RPB1" and resid "19  " and name "HG1 "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.400     0.700     0.700 peak   353 weight  0.10000E+01 volume  0.12919E+08 ppm1      2.271 ppm2      0.959
 OR {  353}
   (( segid "RPB1" and resid "19  " and name "HG2 "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
 ASSI {  355}
   (( segid "RPB1" and resid "19  " and name "HB1 "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      1.900     0.500     0.500 peak   355 weight  0.10000E+01 volume  0.53273E+08 ppm1      2.140 ppm2      0.950
 ASSI {  360}
   (( segid "RPB1" and resid "1   " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE2 "))
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
      2.000     0.500     0.500 peak   360 weight  0.10000E+01 volume  0.38089E+08 ppm1      2.063 ppm2      0.936
 ASSI {  361}
   (( segid "RPB1" and resid "7   " and name "HB1 "))
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
      2.000     0.500     0.500 peak   361 weight  0.10000E+01 volume  0.32311E+08 ppm1      1.667 ppm2      0.938
 ASSI {  363}
   (( segid "RPB1" and resid "49  " and name "HB  "))
   (( segid "RPB1" and resid "49  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG22"))
      2.000     0.500     0.500 peak   363 weight  0.10000E+01 volume  0.38327E+08 ppm1      1.700 ppm2      0.865
 ASSI {  364}
   (( segid "RPB1" and resid "23  " and name "HG2 "))
   (( segid "RPB1" and resid "23  " and name "HB2 "))
      2.100     0.600     0.600 peak   364 weight  0.10000E+01 volume  0.27136E+08 ppm1      1.627 ppm2      0.867
 ASSI {  365}
   (( segid "RPB1" and resid "34  " and name "HB2 "))
   (( segid "RPB1" and resid "49  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG22"))
      2.200     2.200     2.300 peak   365 weight  0.10000E+01 volume  0.21836E+08 ppm1      1.890 ppm2      0.851
 ASSI {  373}
   (( segid "RPB1" and resid "34  " and name "HB2 "))
   (( segid "RPB1" and resid "34  " and name "HG  "))
      2.100     0.600     0.600 peak   373 weight  0.10000E+01 volume  0.28634E+08 ppm1      1.900 ppm2      0.766
 ASSI {  375}
   (( segid "RPB1" and resid "33  " and name "HB  "))
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
      1.800     0.400     0.400 peak   375 weight  0.10000E+01 volume  0.62320E+08 ppm1      2.020 ppm2      0.761
 ASSI {  377}
   (( segid "RPB1" and resid "23  " and name "HG2 "))
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
      1.900     0.500     0.500 peak   377 weight  0.10000E+01 volume  0.45456E+08 ppm1      1.631 ppm2      0.733
 ASSI {  390}
   (( segid "RPB1" and resid "34  " and name "HB2 "))
   (( segid "RPB1" and resid "34  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD22"))
      2.400     0.700     0.700 peak   390 weight  0.10000E+01 volume  0.11722E+08 ppm1      1.894 ppm2      0.605
 ASSI {  406}
   (( segid "RPB1" and resid "7   " and name "HG  "))
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
      2.200     0.600     0.600 peak   406 weight  0.10000E+01 volume  0.22327E+08 ppm1      1.751 ppm2      0.406
 OR {  406}
   (( segid "RPB1" and resid "7   " and name "HB2 "))
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
 ASSI {  423}
   (( segid "RPB1" and resid "4   " and name "HB  "))
   (( segid "RPB1" and resid "3   " and name "HA  "))
      2.700     2.700     1.800 peak   423 weight  0.10000E+01 volume  0.61223E+07 ppm1      1.860 ppm2      4.286
 ASSI {  436}
   (( segid "RPB1" and resid "46  " and name "HB1 "))
   (( segid "RPB1" and resid "47  " and name "HA  "))
      2.200     2.200     2.300 peak   436 weight  0.10000E+01 volume  0.18735E+08 ppm1      1.811 ppm2      4.225
 ASSI {  437}
   (( segid "RPB1" and resid "46  " and name "HG1 "))
   (( segid "RPB1" and resid "47  " and name "HA  "))
      2.200     2.200     2.300 peak   437 weight  0.10000E+01 volume  0.22606E+08 ppm1      1.544 ppm2      4.220
 ASSI {  438}
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
   (( segid "RPB1" and resid "37  " and name "HA  "))
      2.200     0.600     0.600 peak   438 weight  0.10000E+01 volume  0.18118E+08 ppm1      0.977 ppm2      4.224
 ASSI {  447}
   (( segid "RPB1" and resid "11  " and name "HD1 "))
   (( segid "RPB1" and resid "10  " and name "HA1 "))
      2.500     2.500     2.000 peak   447 weight  0.10000E+01 volume  0.97829E+07 ppm1      1.434 ppm2      4.183
 ASSI {  456}
   (( segid "RPB1" and resid "22  " and name "HB1 "))
   (( segid "RPB1" and resid "19  " and name "HA  "))
      2.400     0.700     0.700 peak   456 weight  0.10000E+01 volume  0.11637E+08 ppm1      1.894 ppm2      4.140
 ASSI {  463}
   (( segid "RPB1" and resid "2   " and name "HG11"))
   (( segid "RPB1" and resid "2   " and name "HA  "))
      2.500     0.800     0.800 peak   463 weight  0.10000E+01 volume  0.96955E+07 ppm1      1.591 ppm2      4.125
 OR {  463}
   (( segid "RPB1" and resid "2   " and name "HB  "))
   (( segid "RPB1" and resid "2   " and name "HA  "))
 OR {  463}
   (( segid "RPB1" and resid "2   " and name "HG12"))
   (( segid "RPB1" and resid "2   " and name "HA  "))
 ASSI {  465}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "7   " and name "HA  "))
      2.500     0.800     0.800 peak   465 weight  0.10000E+01 volume  0.85647E+07 ppm1      0.985 ppm2      4.114
 ASSI {  466}
   (( segid "RPB1" and resid "2   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG22"))
   (( segid "RPB1" and resid "2   " and name "HA  "))
      2.500     0.800     0.800 peak   466 weight  0.10000E+01 volume  0.87507E+07 ppm1      0.682 ppm2      4.117
 ASSI {  467}
   (( segid "RPB1" and resid "7   " and name "HB1 "))
   (( segid "RPB1" and resid "7   " and name "HA  "))
      2.300     0.700     0.700 peak   467 weight  0.10000E+01 volume  0.16882E+08 ppm1      1.672 ppm2      4.103
 ASSI {  481}
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
   (( segid "RPB1" and resid "44  " and name "HA  "))
      2.400     2.400     2.100 peak   481 weight  0.10000E+01 volume  0.13136E+08 ppm1      0.417 ppm2      4.044
 ASSI {  506}
   (( segid "RPB1" and resid "45  " and name "HB2 "))
   (( segid "RPB1" and resid "42  " and name "HA  "))
      2.700     0.900     0.900 peak   506 weight  0.10000E+01 volume  0.54647E+07 ppm1      1.593 ppm2      3.923
 ASSI {  510}
   (( segid "RPB1" and resid "45  " and name "HB1 "))
   (( segid "RPB1" and resid "42  " and name "HA  "))
      2.400     2.400     2.100 peak   510 weight  0.10000E+01 volume  0.11888E+08 ppm1      1.821 ppm2      3.902
 ASSI {  512}
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
   (( segid "RPB1" and resid "48  " and name "HA  "))
      2.400     2.400     2.100 peak   512 weight  0.10000E+01 volume  0.13832E+08 ppm1      0.787 ppm2      3.907
 ASSI {  513}
   (( segid "RPB1" and resid "37  " and name "HB2 "))
   (( segid "RPB1" and resid "34  " and name "HA  "))
      2.900     1.100     1.100 peak   513 weight  0.10000E+01 volume  0.40165E+07 ppm1      1.763 ppm2      3.902
 ASSI {  515}
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
   (( segid "RPB1" and resid "48  " and name "HA  "))
      2.700     0.900     0.900 peak   515 weight  0.10000E+01 volume  0.55691E+07 ppm1      0.417 ppm2      3.898
 ASSI {  516}
   (( segid "RPB1" and resid "33  " and name "HB  "))
   (( segid "RPB1" and resid "34  " and name "HA  "))
      2.200     2.200     2.300 peak   516 weight  0.10000E+01 volume  0.19465E+08 ppm1      2.022 ppm2      3.897
 ASSI {  518}
   (( segid "RPB1" and resid "30  " and name "HB2 "))
   (( segid "RPB1" and resid "30  " and name "HD2 "))
      2.300     0.700     0.700 peak   518 weight  0.10000E+01 volume  0.14707E+08 ppm1      2.015 ppm2      4.049
 ASSI {  521}
   (( segid "RPB1" and resid "1   " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE2 "))
   (( segid "RPB1" and resid "3   " and name "HA  "))
      2.600     2.600     1.900 peak   521 weight  0.10000E+01 volume  0.80105E+07 ppm1      2.037 ppm2      4.286
 ASSI {  522}
   (( segid "RPB1" and resid "53  " and name "HG1 "))
   (( segid "RPB1" and resid "53  " and name "HA  "))
      2.400     0.700     0.700 peak   522 weight  0.10000E+01 volume  0.13606E+08 ppm1      2.177 ppm2      4.223
 ASSI {  523}
   (( segid "RPB1" and resid "19  " and name "HB1 "))
   (( segid "RPB1" and resid "19  " and name "HA  "))
      2.300     0.700     0.700 peak   523 weight  0.10000E+01 volume  0.13940E+08 ppm1      2.144 ppm2      4.138
 ASSI {  524}
   (( segid "RPB1" and resid "3   " and name "HG2 "))
   (( segid "RPB1" and resid "2   " and name "HA  "))
      2.400     2.400     2.100 peak   524 weight  0.10000E+01 volume  0.11104E+08 ppm1      2.122 ppm2      4.157
 ASSI {  526}
   (( segid "RPB1" and resid "31  " and name "HB1 "))
   (( segid "RPB1" and resid "32  " and name "HA  "))
      2.600     2.600     1.900 peak   526 weight  0.10000E+01 volume  0.84608E+07 ppm1      1.807 ppm2      4.358
 ASSI {  528}
   (( segid "RPB1" and resid "36  " and name "HB2 "))
   (( segid "RPB1" and resid "33  " and name "HA  "))
      2.100     0.600     0.600 peak   528 weight  0.10000E+01 volume  0.27743E+08 ppm1      2.782 ppm2      3.423
 ASSI {  530}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "33  " and name "HA  "))
      2.400     2.400     2.100 peak   530 weight  0.10000E+01 volume  0.12455E+08 ppm1      0.964 ppm2      3.415
 ASSI {  535}
   (( segid "RPB1" and resid "24  " and name "HA  "))
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
      2.200     0.600     0.600 peak   535 weight  0.10000E+01 volume  0.20632E+08 ppm1      4.056 ppm2      0.409
 ASSI {  536}
   (( segid "RPB1" and resid "24  " and name "HA  "))
   (( segid "RPB1" and resid "24  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG12"))
      2.100     0.600     0.600 peak   536 weight  0.10000E+01 volume  0.26238E+08 ppm1      4.053 ppm2      0.774
 ASSI {  540}
   (( segid "RPB1" and resid "4   " and name "HA  "))
   (( segid "RPB1" and resid "4   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG22"))
      2.000     0.500     0.500 peak   540 weight  0.10000E+01 volume  0.37697E+08 ppm1      3.976 ppm2      0.934
 ASSI {  542}
   (( segid "RPB1" and resid "25  " and name "HA  "))
   (( segid "RPB1" and resid "25  " and name "HB1 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB3 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB2 "))
      2.000     0.500     0.500 peak   542 weight  0.10000E+01 volume  0.34846E+08 ppm1      4.173 ppm2      1.491
 ASSI {  545}
   (( segid "RPB1" and resid "28  " and name "HA  "))
   (( segid "RPB1" and resid "28  " and name "HG2 "))
      2.100     0.600     0.600 peak   545 weight  0.10000E+01 volume  0.27054E+08 ppm1      4.159 ppm2      2.257
 ASSI {  546}
   (( segid "RPB1" and resid "41  " and name "HA  "))
   (( segid "RPB1" and resid "41  " and name "HB1 "))
      2.500     0.800     0.800 peak   546 weight  0.10000E+01 volume  0.94857E+07 ppm1      4.365 ppm2      2.306
 ASSI {  549}
   (( segid "RPB1" and resid "41  " and name "HA  "))
   (( segid "RPB1" and resid "41  " and name "HG1 "))
      2.400     0.700     0.700 peak   549 weight  0.10000E+01 volume  0.13307E+08 ppm1      4.371 ppm2      1.789
 OR {  549}
   (( segid "RPB1" and resid "41  " and name "HA  "))
   (( segid "RPB1" and resid "41  " and name "HG2 "))
 ASSI {  551}
   (( segid "RPB1" and resid "39  " and name "HA  "))
   (( segid "RPB1" and resid "39  " and name "HB1 "))
      2.600     0.800     0.800 peak   551 weight  0.10000E+01 volume  0.83109E+07 ppm1      4.369 ppm2      1.242
 ASSI {  554}
   (( segid "RPB1" and resid "37  " and name "HA  "))
   (( segid "RPB1" and resid "19  " and name "HB2 "))
      2.100     2.100     2.400 peak   554 weight  0.10000E+01 volume  0.26873E+08 ppm1      4.249 ppm2      1.924
 ASSI {  557}
   (( segid "RPB1" and resid "15  " and name "HA  "))
   (( segid "RPB1" and resid "15  " and name "HB1 ")
     OR 
    ( segid "RPB1" and resid "15  " and name "HB3 ")
     OR 
    ( segid "RPB1" and resid "15  " and name "HB2 "))
      2.100     0.600     0.600 peak   557 weight  0.10000E+01 volume  0.28447E+08 ppm1      4.109 ppm2      1.064
 ASSI {  561}
   (( segid "RPB1" and resid "7   " and name "HA  "))
   (( segid "RPB1" and resid "48  " and name "HG  "))
      2.400     2.400     2.100 peak   561 weight  0.10000E+01 volume  0.11568E+08 ppm1      4.064 ppm2      1.377
 ASSI {  565}
   (( segid "RPB1" and resid "30  " and name "HD2 "))
   (( segid "RPB1" and resid "30  " and name "HG2 "))
      2.200     0.600     0.600 peak   565 weight  0.10000E+01 volume  0.20987E+08 ppm1      4.060 ppm2      2.161
 ASSI {  566}
   (( segid "RPB1" and resid "33  " and name "HA  "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.200     0.600     0.600 peak   566 weight  0.10000E+01 volume  0.19270E+08 ppm1      3.420 ppm2      0.942
 ASSI {  567}
   (( segid "RPB1" and resid "33  " and name "HA  "))
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
      2.300     0.700     0.700 peak   567 weight  0.10000E+01 volume  0.15728E+08 ppm1      3.421 ppm2      0.769
 ASSI {  568}
   (( segid "RPB1" and resid "3   " and name "HD1 "))
   (( segid "RPB1" and resid "2   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD12"))
      2.300     2.300     2.200 peak   568 weight  0.10000E+01 volume  0.16618E+08 ppm1      3.572 ppm2      0.746
 ASSI {  571}
   (( segid "RPB1" and resid "41  " and name "HD1 "))
   (( segid "RPB1" and resid "41  " and name "HG2 "))
      2.000     0.500     0.500 peak   571 weight  0.10000E+01 volume  0.34701E+08 ppm1      3.343 ppm2      1.784
 OR {  571}
   (( segid "RPB1" and resid "41  " and name "HD2 "))
   (( segid "RPB1" and resid "41  " and name "HG1 "))
 OR {  571}
   (( segid "RPB1" and resid "41  " and name "HD1 "))
   (( segid "RPB1" and resid "41  " and name "HG1 "))
 ASSI {  578}
   (( segid "RPB1" and resid "11  " and name "HE2 "))
   (( segid "RPB1" and resid "11  " and name "HG2 "))
      2.100     0.600     0.600 peak   578 weight  0.10000E+01 volume  0.30532E+08 ppm1      3.020 ppm2      1.696
 OR {  578}
   (( segid "RPB1" and resid "11  " and name "HE1 "))
   (( segid "RPB1" and resid "11  " and name "HG2 "))
 OR {  578}
   (( segid "RPB1" and resid "11  " and name "HE2 "))
   (( segid "RPB1" and resid "11  " and name "HG1 "))
 ASSI {  579}
   (( segid "RPB1" and resid "40  " and name "HE2 "))
   (( segid "RPB1" and resid "40  " and name "HD2 "))
      2.300     0.700     0.700 peak   579 weight  0.10000E+01 volume  0.17452E+08 ppm1      2.959 ppm2      1.607
 OR {  579}
   (( segid "RPB1" and resid "40  " and name "HE1 "))
   (( segid "RPB1" and resid "40  " and name "HD2 "))
 OR {  579}
   (( segid "RPB1" and resid "40  " and name "HE1 "))
   (( segid "RPB1" and resid "40  " and name "HD1 "))
 ASSI {  581}
   (( segid "RPB1" and resid "3   " and name "HD2 "))
   (( segid "RPB1" and resid "2   " and name "HG11"))
      2.500     2.500     2.000 peak   581 weight  0.10000E+01 volume  0.10432E+08 ppm1      3.194 ppm2      1.549
 OR {  581}
   (( segid "RPB1" and resid "3   " and name "HD2 "))
   (( segid "RPB1" and resid "2   " and name "HG12"))
 ASSI {  583}
   (( segid "RPB1" and resid "6   " and name "HB2 "))
   (( segid "RPB1" and resid "5   " and name "HG1 "))
      2.200     2.200     2.300 peak   583 weight  0.10000E+01 volume  0.21189E+08 ppm1      3.150 ppm2      1.425
 OR {  583}
   (( segid "RPB1" and resid "6   " and name "HB2 "))
   (( segid "RPB1" and resid "5   " and name "HB1 "))
 ASSI {  584}
   (( segid "RPB1" and resid "41  " and name "HD2 "))
   (( segid "RPB1" and resid "41  " and name "HB1 "))
      2.200     0.600     0.600 peak   584 weight  0.10000E+01 volume  0.19462E+08 ppm1      3.344 ppm2      2.317
 OR {  584}
   (( segid "RPB1" and resid "41  " and name "HD1 "))
   (( segid "RPB1" and resid "41  " and name "HB1 "))
 ASSI {  590}
   (( segid "RPB1" and resid "16  " and name "HA  "))
   (( segid "RPB1" and resid "16  " and name "HB1 "))
      2.400     0.700     0.700 peak   590 weight  0.10000E+01 volume  0.12958E+08 ppm1      4.561 ppm2      3.144
 ASSI {  593}
   (( segid "RPB1" and resid "16  " and name "HA  "))
   (( segid "RPB1" and resid "18  " and name "HB2 "))
      2.400     2.400     2.100 peak   593 weight  0.10000E+01 volume  0.13771E+08 ppm1      4.515 ppm2      2.885
 OR {  593}
   (( segid "RPB1" and resid "16  " and name "HA  "))
   (( segid "RPB1" and resid "18  " and name "HB1 "))
 ASSI {  594}
   (( segid "RPB1" and resid "16  " and name "HA  "))
   (( segid "RPB1" and resid "16  " and name "HB2 "))
      2.400     0.700     0.700 peak   594 weight  0.10000E+01 volume  0.13585E+08 ppm1      4.565 ppm2      2.804
 ASSI {  597}
   (( segid "RPB1" and resid "32  " and name "HA  "))
   (( segid "RPB1" and resid "32  " and name "HB1 "))
      2.200     0.600     0.600 peak   597 weight  0.10000E+01 volume  0.19955E+08 ppm1      4.379 ppm2      2.788
 ASSI {  601}
   (( segid "RPB1" and resid "50  " and name "HA  "))
   (( segid "RPB1" and resid "50  " and name "HB1 "))
      2.200     0.600     0.600 peak   601 weight  0.10000E+01 volume  0.22828E+08 ppm1      4.310 ppm2      3.917
 OR {  601}
   (( segid "RPB1" and resid "50  " and name "HA  "))
   (( segid "RPB1" and resid "50  " and name "HB2 "))
 ASSI {  604}
   (( segid "RPB1" and resid "43  " and name "HA  "))
   (( segid "RPB1" and resid "43  " and name "HB2 "))
      2.000     0.500     0.500 peak   604 weight  0.10000E+01 volume  0.33990E+08 ppm1      4.066 ppm2      2.722
 ASSI {  605}
   (( segid "RPB1" and resid "43  " and name "HA  "))
   (( segid "RPB1" and resid "43  " and name "HB1 "))
      2.100     0.600     0.600 peak   605 weight  0.10000E+01 volume  0.26123E+08 ppm1      4.068 ppm2      2.976
 ASSI {  606}
   (( segid "RPB1" and resid "23  " and name "HA  "))
   (( segid "RPB1" and resid "23  " and name "HD1 "))
      2.200     0.600     0.600 peak   606 weight  0.10000E+01 volume  0.23104E+08 ppm1      3.976 ppm2      3.181
 ASSI {  610}
   (( segid "RPB1" and resid "11  " and name "HE2 "))
   (( segid "RPB1" and resid "12  " and name "HD1 "))
      2.300     2.300     2.200 peak   610 weight  0.10000E+01 volume  0.16549E+08 ppm1      2.997 ppm2      4.058
 OR {  610}
   (( segid "RPB1" and resid "11  " and name "HE1 "))
   (( segid "RPB1" and resid "12  " and name "HD1 "))
 ASSI {  613}
   (( segid "RPB1" and resid "5   " and name "HD2 "))
   (( segid "RPB1" and resid "5   " and name "HA  "))
      2.400     0.700     0.700 peak   613 weight  0.10000E+01 volume  0.13459E+08 ppm1      3.137 ppm2      4.905
 OR {  613}
   (( segid "RPB1" and resid "5   " and name "HD1 "))
   (( segid "RPB1" and resid "5   " and name "HA  "))
 ASSI {  617}
   (( segid "RPB1" and resid "22  " and name "HG2 "))
   (( segid "RPB1" and resid "22  " and name "HD1 "))
      2.300     0.700     0.700 peak   617 weight  0.10000E+01 volume  0.16288E+08 ppm1      1.620 ppm2      3.285
 OR {  617}
   (( segid "RPB1" and resid "22  " and name "HG1 "))
   (( segid "RPB1" and resid "22  " and name "HD1 "))
 ASSI {  618}
   (( segid "RPB1" and resid "17  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "17  " and name "HD2 "))
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
      2.300     0.700     0.700 peak   618 weight  0.10000E+01 volume  0.14812E+08 ppm1      7.147 ppm2      0.949
 ASSI {  619}
   (( segid "RPB1" and resid "49  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG22"))
   (( segid "RPB1" and resid "48  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD12"))
      2.500     2.500     2.000 peak   619 weight  0.10000E+01 volume  0.10146E+08 ppm1      0.836 ppm2      0.514
 ASSI {  621}
   (( segid "RPB1" and resid "55  " and name "HH2 "))
   (( segid "RPB1" and resid "55  " and name "HZ2 "))
      2.600     0.800     0.800 peak   621 weight  0.10000E+01 volume  0.70436E+07 ppm1      7.111 ppm2      7.385
 ASSI {  624}
   (( segid "RPB1" and resid "55  " and name "HZ3 "))
   (( segid "RPB1" and resid "55  " and name "HE3 "))
      2.600     0.800     0.800 peak   624 weight  0.10000E+01 volume  0.71863E+07 ppm1      7.056 ppm2      7.637
 ASSI {  628}
   (( segid "RPB1" and resid "19  " and name "HG2 "))
   (( segid "RPB1" and resid "16  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "16  " and name "HD2 "))
      2.900     1.100     1.100 peak   628 weight  0.10000E+01 volume  0.37681E+07 ppm1      2.255 ppm2      7.142
 ASSI {  629}
   (( segid "RPB1" and resid "19  " and name "HB1 "))
   (( segid "RPB1" and resid "16  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "16  " and name "HD2 "))
      2.700     0.900     0.900 peak   629 weight  0.10000E+01 volume  0.59716E+07 ppm1      2.159 ppm2      7.140
 ASSI {  630}
   (( segid "RPB1" and resid "7   " and name "HB2 "))
   (( segid "RPB1" and resid "17  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "17  " and name "HE2 "))
      2.700     0.900     0.900 peak   630 weight  0.10000E+01 volume  0.66152E+07 ppm1      1.772 ppm2      6.986
 OR {  630}
   (( segid "RPB1" and resid "7   " and name "HG  "))
   (( segid "RPB1" and resid "17  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "17  " and name "HE2 "))
 ASSI {  633}
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
   (( segid "RPB1" and resid "16  " and name "HB2 "))
      2.300     0.700     0.700 peak   633 weight  0.10000E+01 volume  0.17102E+08 ppm1      0.961 ppm2      2.766
 ASSI {  638}
   (( segid "RPB1" and resid "45  " and name "HB1 "))
   (( segid "RPB1" and resid "49  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG22"))
      2.200     0.600     0.600 peak   638 weight  0.10000E+01 volume  0.21574E+08 ppm1      1.789 ppm2      0.830
 ASSI {  639}
   (( segid "RPB1" and resid "33  " and name "HB  "))
   (( segid "RPB1" and resid "34  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD22"))
      2.300     0.700     0.700 peak   639 weight  0.10000E+01 volume  0.17568E+08 ppm1      2.023 ppm2      0.619
 ASSI {  643}
   (( segid "RPB1" and resid "52  " and name "HB  "))
   (( segid "RPB1" and resid "52  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG12"))
      2.100     0.600     0.600 peak   643 weight  0.10000E+01 volume  0.30198E+08 ppm1      1.947 ppm2      0.745
 ASSI {  644}
   (( segid "RPB1" and resid "5   " and name "HB2 "))
   (( segid "RPB1" and resid "4   " and name "HG11")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG13")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG12"))
      2.200     0.600     0.600 peak   644 weight  0.10000E+01 volume  0.18065E+08 ppm1      1.442 ppm2      0.859
 ASSI {  645}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "48  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD12"))
      2.300     0.700     0.700 peak   645 weight  0.10000E+01 volume  0.16241E+08 ppm1      0.959 ppm2      0.502
 ASSI {  648}
   (( segid "RPB1" and resid "2   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD12"))
   (( segid "RPB1" and resid "2   " and name "HB  "))
      2.200     0.600     0.600 peak   648 weight  0.10000E+01 volume  0.22755E+08 ppm1      0.723 ppm2      1.609
 ASSI {  649}
   (( segid "RPB1" and resid "2   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD12"))
   (( segid "RPB1" and resid "7   " and name "HB1 "))
      2.300     2.300     2.200 peak   649 weight  0.10000E+01 volume  0.17305E+08 ppm1      0.723 ppm2      1.669
 ASSI {  650}
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
   (( segid "RPB1" and resid "5   " and name "HB1 "))
      2.300     0.700     0.700 peak   650 weight  0.10000E+01 volume  0.15849E+08 ppm1      0.926 ppm2      1.421
 ASSI {  652}
   (( segid "RPB1" and resid "47  " and name "HB2 "))
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
      2.200     0.600     0.600 peak   652 weight  0.10000E+01 volume  0.23432E+08 ppm1      2.408 ppm2      1.970
 ASSI {  656}
   (( segid "RPB1" and resid "41  " and name "HB1 "))
   (( segid "RPB1" and resid "41  " and name "HG1 "))
      2.200     0.600     0.600 peak   656 weight  0.10000E+01 volume  0.19630E+08 ppm1      2.315 ppm2      1.793
 OR {  656}
   (( segid "RPB1" and resid "41  " and name "HB1 "))
   (( segid "RPB1" and resid "41  " and name "HG2 "))
 ASSI {  658}
   (( segid "RPB1" and resid "19  " and name "HB2 "))
   (( segid "RPB1" and resid "19  " and name "HG2 "))
      2.000     0.500     0.500 peak   658 weight  0.10000E+01 volume  0.38600E+08 ppm1      1.957 ppm2      2.250
 OR {  658}
   (( segid "RPB1" and resid "19  " and name "HB2 "))
   (( segid "RPB1" and resid "19  " and name "HG1 "))
 ASSI {  665}
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
   (( segid "RPB1" and resid "44  " and name "HA  "))
      2.100     0.600     0.600 peak   665 weight  0.10000E+01 volume  0.23739E+08 ppm1      1.979 ppm2      4.000
 ASSI {  683}
   (( segid "RPB1" and resid "1   " and name "HA  "))
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
      2.400     2.400     2.100 peak   683 weight  0.10000E+01 volume  0.11201E+08 ppm1      4.396 ppm2      0.902
 ASSI {  688}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "33  " and name "HB  "))
      2.200     0.600     0.600 peak   688 weight  0.10000E+01 volume  0.23540E+08 ppm1      0.962 ppm2      2.047
 ASSI {    6}
   (( segid "RPB1" and resid "5   " and name "HG1 "))
   (( segid "RPB1" and resid "5   " and name "HA  "))
      2.500     0.800     0.800 peak     6 weight  0.10000E+01 volume  0.65362E+07 ppm1      4.916 ppm2      1.440
 OR {    6}
   (( segid "RPB1" and resid "5   " and name "HB2 "))
   (( segid "RPB1" and resid "5   " and name "HA  "))
 ASSI {    8}
   (( segid "RPB1" and resid "39  " and name "HG  "))
   (( segid "RPB1" and resid "39  " and name "HA  "))
      2.700     0.900     0.900 peak     8 weight  0.10000E+01 volume  0.39371E+07 ppm1      4.344 ppm2      1.057
 ASSI {    9}
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
   (( segid "RPB1" and resid "39  " and name "HA  "))
      2.900     1.100     1.100 peak     9 weight  0.10000E+01 volume  0.26378E+07 ppm1      4.338 ppm2      0.475
 ASSI {   17}
   (( segid "RPB1" and resid "29  " and name "HB1 "))
   (( segid "RPB1" and resid "29  " and name "HA  "))
      2.700     0.900     0.900 peak    17 weight  0.10000E+01 volume  0.39983E+07 ppm1      4.702 ppm2      2.865
 ASSI {   18}
   (( segid "RPB1" and resid "29  " and name "HB2 "))
   (( segid "RPB1" and resid "29  " and name "HA  "))
      2.500     0.800     0.800 peak    18 weight  0.10000E+01 volume  0.62302E+07 ppm1      4.716 ppm2      2.646
 ASSI {   20}
   (( segid "RPB1" and resid "54  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG22"))
   (( segid "RPB1" and resid "54  " and name "HB  "))
      2.600     0.800     0.800 peak    20 weight  0.10000E+01 volume  0.47036E+07 ppm1      4.229 ppm2      1.119
 ASSI {   29}
   (( segid "RPB1" and resid "4   " and name "HB  "))
   (( segid "RPB1" and resid "4   " and name "HA  "))
      2.800     1.000     1.000 peak    29 weight  0.10000E+01 volume  0.33957E+07 ppm1      3.965 ppm2      1.894
 ASSI {   31}
   (( segid "RPB1" and resid "4   " and name "HG11")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG13")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG12"))
   (( segid "RPB1" and resid "4   " and name "HA  "))
      2.200     0.600     0.600 peak    31 weight  0.10000E+01 volume  0.11670E+08 ppm1      3.956 ppm2      0.880
 ASSI {   47}
   (( segid "RPB1" and resid "42  " and name "HB2 "))
   (( segid "RPB1" and resid "42  " and name "HA  "))
      2.500     0.800     0.800 peak    47 weight  0.10000E+01 volume  0.61921E+07 ppm1      3.956 ppm2      3.189
 ASSI {   49}
   (( segid "RPB1" and resid "20  " and name "HB1 "))
   (( segid "RPB1" and resid "20  " and name "HA  "))
      2.400     0.700     0.700 peak    49 weight  0.10000E+01 volume  0.72117E+07 ppm1      3.950 ppm2      3.069
 ASSI {   51}
   (( segid "RPB1" and resid "20  " and name "HB2 "))
   (( segid "RPB1" and resid "20  " and name "HA  "))
      2.700     0.900     0.900 peak    51 weight  0.10000E+01 volume  0.40024E+07 ppm1      3.948 ppm2      2.852
 ASSI {   56}
   (( segid "RPB1" and resid "54  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG22"))
   (( segid "RPB1" and resid "54  " and name "HA  "))
      2.700     0.900     0.900 peak    56 weight  0.10000E+01 volume  0.35218E+07 ppm1      4.316 ppm2      1.120
 ASSI {   59}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "20  " and name "HA  "))
      2.600     0.800     0.800 peak    59 weight  0.10000E+01 volume  0.49485E+07 ppm1      3.955 ppm2      0.772
 ASSI {   61}
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
   (( segid "RPB1" and resid "13  " and name "HA  "))
      2.600     0.800     0.800 peak    61 weight  0.10000E+01 volume  0.51424E+07 ppm1      4.783 ppm2      0.955
 ASSI {   63}
   (( segid "RPB1" and resid "8   " and name "HB1 "))
   (( segid "RPB1" and resid "8   " and name "HA  "))
      2.400     0.700     0.700 peak    63 weight  0.10000E+01 volume  0.78027E+07 ppm1      4.578 ppm2      3.914
 ASSI {   67}
   (( segid "RPB1" and resid "44  " and name "HB1 "))
   (( segid "RPB1" and resid "6   " and name "HA  "))
      2.900     2.900     1.600 peak    67 weight  0.10000E+01 volume  0.26795E+07 ppm1      4.181 ppm2      2.644
 ASSI {   69}
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
   (( segid "RPB1" and resid "6   " and name "HA  "))
      2.400     2.400     2.100 peak    69 weight  0.10000E+01 volume  0.79234E+07 ppm1      4.173 ppm2      1.975
 ASSI {   73}
   (( segid "RPB1" and resid "55  " and name "HB2 "))
   (( segid "RPB1" and resid "55  " and name "HA  "))
      2.200     0.600     0.600 peak    73 weight  0.10000E+01 volume  0.13037E+08 ppm1      4.489 ppm2      3.239
 OR {   73}
   (( segid "RPB1" and resid "55  " and name "HB1 "))
   (( segid "RPB1" and resid "55  " and name "HA  "))
 ASSI {   81}
   (( segid "RPB1" and resid "53  " and name "HG2 "))
   (( segid "RPB1" and resid "53  " and name "HA  "))
      2.200     0.600     0.600 peak    81 weight  0.10000E+01 volume  0.13281E+08 ppm1      4.191 ppm2      2.193
 ASSI {   83}
   (( segid "RPB1" and resid "41  " and name "HB2 "))
   (( segid "RPB1" and resid "41  " and name "HA  "))
      2.700     0.900     0.900 peak    83 weight  0.10000E+01 volume  0.42744E+07 ppm1      4.349 ppm2      2.090
 ASSI {   87}
   (( segid "RPB1" and resid "11  " and name "HB1 "))
   (( segid "RPB1" and resid "11  " and name "HA  "))
      2.200     0.600     0.600 peak    87 weight  0.10000E+01 volume  0.13297E+08 ppm1      4.476 ppm2      1.931
 OR {   87}
   (( segid "RPB1" and resid "11  " and name "HB2 "))
   (( segid "RPB1" and resid "11  " and name "HA  "))
 ASSI {   88}
   (( segid "RPB1" and resid "11  " and name "HD2 "))
   (( segid "RPB1" and resid "11  " and name "HA  "))
      2.500     0.800     0.800 peak    88 weight  0.10000E+01 volume  0.67444E+07 ppm1      4.501 ppm2      1.501
 ASSI {   89}
   (( segid "RPB1" and resid "19  " and name "HB1 "))
   (( segid "RPB1" and resid "37  " and name "HA  "))
      3.000     3.000     1.500 peak    89 weight  0.10000E+01 volume  0.20050E+07 ppm1      4.229 ppm2      2.149
 ASSI {   90}
   (( segid "RPB1" and resid "36  " and name "HB1 "))
   (( segid "RPB1" and resid "37  " and name "HA  "))
      3.300     1.400     1.400 peak    90 weight  0.10000E+01 volume  0.11375E+07 ppm1      4.227 ppm2      2.883
 ASSI {   95}
   (( segid "RPB1" and resid "26  " and name "HB1 "))
   (( segid "RPB1" and resid "26  " and name "HA  "))
      2.400     0.700     0.700 peak    95 weight  0.10000E+01 volume  0.74264E+07 ppm1      4.699 ppm2      2.880
!
!ARIA ambiguous restraints (ambig.tbl)
!
 ASSI {   47}
   (( segid "RPB1" and resid "39  " and name "HN  "))
   (( segid "RPB1" and resid "38  " and name "HN  "))
      2.400     0.700     0.700 peak    47 weight  0.10000E+01 volume  0.36826E+07 ppm1      7.759 ppm2      7.483
 OR {   47}
   (( segid "RPB1" and resid "26  " and name "HN  "))
   (( segid "RPB1" and resid "27  " and name "HN  "))
 ASSI {   94}
   (( segid "RPB1" and resid "17  " and name "HA  "))
   (( segid "RPB1" and resid "20  " and name "HN  "))
      3.200     1.300     1.300 peak    94 weight  0.10000E+01 volume  0.70850E+06 ppm1      8.159 ppm2      4.088
 OR {   94}
   (( segid "RPB1" and resid "19  " and name "HA  "))
   (( segid "RPB1" and resid "20  " and name "HN  "))
 ASSI {  100}
   (( segid "RPB1" and resid "19  " and name "HB2 "))
   (( segid "RPB1" and resid "20  " and name "HN  "))
      2.500     0.800     0.800 peak   100 weight  0.10000E+01 volume  0.30009E+07 ppm1      8.157 ppm2      1.937
 OR {  100}
   (( segid "RPB1" and resid "52  " and name "HB  "))
   (( segid "RPB1" and resid "49  " and name "HN  "))
 ASSI {  101}
   (( segid "RPB1" and resid "45  " and name "HB2 "))
   (( segid "RPB1" and resid "49  " and name "HN  "))
      2.000     2.000     2.500 peak   101 weight  0.10000E+01 volume  0.10597E+08 ppm1      8.163 ppm2      1.629
 OR {  101}
   (( segid "RPB1" and resid "23  " and name "HG2 "))
   (( segid "RPB1" and resid "20  " and name "HN  "))
 ASSI {  103}
   (( segid "RPB1" and resid "49  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD12"))
   (( segid "RPB1" and resid "49  " and name "HN  "))
      2.600     2.600     1.900 peak   103 weight  0.10000E+01 volume  0.23932E+07 ppm1      8.159 ppm2      0.708
 OR {  103}
   (( segid "RPB1" and resid "52  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG12"))
   (( segid "RPB1" and resid "49  " and name "HN  "))
 ASSI {  104}
   (( segid "RPB1" and resid "48  " and name "HB2 "))
   (( segid "RPB1" and resid "49  " and name "HN  "))
      2.200     0.600     0.600 peak   104 weight  0.10000E+01 volume  0.63910E+07 ppm1      8.159 ppm2      0.921
 OR {  104}
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
   (( segid "RPB1" and resid "20  " and name "HN  "))
 ASSI {  105}
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
   (( segid "RPB1" and resid "49  " and name "HN  "))
      3.100     1.200     1.200 peak   105 weight  0.10000E+01 volume  0.85955E+06 ppm1      8.154 ppm2      0.378
 OR {  105}
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
   (( segid "RPB1" and resid "20  " and name "HN  "))
 ASSI {  114}
   (( segid "RPB1" and resid "43  " and name "HB1 "))
   (( segid "RPB1" and resid "43  " and name "HN  "))
      2.700     0.900     0.900 peak   114 weight  0.10000E+01 volume  0.18568E+07 ppm1      7.780 ppm2      2.992
 OR {  114}
   (( segid "RPB1" and resid "42  " and name "HB1 "))
   (( segid "RPB1" and resid "43  " and name "HN  "))
 ASSI {  117}
   (( segid "RPB1" and resid "47  " and name "HB1 "))
   (( segid "RPB1" and resid "47  " and name "HN  "))
      2.400     0.700     0.700 peak   117 weight  0.10000E+01 volume  0.39042E+07 ppm1      7.777 ppm2      2.143
 OR {  117}
   (( segid "RPB1" and resid "21  " and name "HG1 "))
   (( segid "RPB1" and resid "22  " and name "HN  "))
 ASSI {  118}
   (( segid "RPB1" and resid "22  " and name "HB1 "))
   (( segid "RPB1" and resid "22  " and name "HN  "))
      2.000     0.500     0.500 peak   118 weight  0.10000E+01 volume  0.12363E+08 ppm1      7.763 ppm2      1.878
 OR {  118}
   (( segid "RPB1" and resid "22  " and name "HB2 "))
   (( segid "RPB1" and resid "22  " and name "HN  "))
 OR {  118}
   (( segid "RPB1" and resid "21  " and name "HB2 "))
   (( segid "RPB1" and resid "22  " and name "HN  "))
 ASSI {  119}
   (( segid "RPB1" and resid "46  " and name "HB2 "))
   (( segid "RPB1" and resid "47  " and name "HN  "))
      2.400     2.400     2.100 peak   119 weight  0.10000E+01 volume  0.38514E+07 ppm1      7.776 ppm2      1.675
 OR {  119}
   (( segid "RPB1" and resid "46  " and name "HB2 "))
   (( segid "RPB1" and resid "43  " and name "HN  "))
 OR {  119}
   (( segid "RPB1" and resid "45  " and name "HG1 "))
   (( segid "RPB1" and resid "43  " and name "HN  "))
 ASSI {  120}
   (( segid "RPB1" and resid "22  " and name "HA  "))
   (( segid "RPB1" and resid "22  " and name "HN  "))
      2.600     0.800     0.800 peak   120 weight  0.10000E+01 volume  0.26166E+07 ppm1      7.763 ppm2      3.915
 OR {  120}
   (( segid "RPB1" and resid "42  " and name "HA  "))
   (( segid "RPB1" and resid "43  " and name "HN  "))
 ASSI {  121}
   (( segid "RPB1" and resid "43  " and name "HA  "))
   (( segid "RPB1" and resid "46  " and name "HN  "))
      3.200     1.300     1.300 peak   121 weight  0.10000E+01 volume  0.66208E+06 ppm1      8.027 ppm2      4.031
 OR {  121}
   (( segid "RPB1" and resid "44  " and name "HA  "))
   (( segid "RPB1" and resid "46  " and name "HN  "))
 ASSI {  124}
   (( segid "RPB1" and resid "45  " and name "HB1 "))
   (( segid "RPB1" and resid "46  " and name "HN  "))
      2.000     2.000     2.500 peak   124 weight  0.10000E+01 volume  0.11393E+08 ppm1      8.023 ppm2      1.773
 OR {  124}
   (( segid "RPB1" and resid "46  " and name "HB1 "))
   (( segid "RPB1" and resid "46  " and name "HN  "))
 ASSI {  131}
   (( segid "RPB1" and resid "44  " and name "HA  "))
   (( segid "RPB1" and resid "44  " and name "HN  "))
      2.600     0.800     0.800 peak   131 weight  0.10000E+01 volume  0.27273E+07 ppm1      7.277 ppm2      4.033
 OR {  131}
   (( segid "RPB1" and resid "43  " and name "HA  "))
   (( segid "RPB1" and resid "44  " and name "HN  "))
 ASSI {  132}
   (( segid "RPB1" and resid "43  " and name "HB1 "))
   (( segid "RPB1" and resid "44  " and name "HN  "))
      3.000     1.100     1.100 peak   132 weight  0.10000E+01 volume  0.10168E+07 ppm1      7.279 ppm2      2.992
 OR {  132}
   (( segid "RPB1" and resid "42  " and name "HB1 "))
   (( segid "RPB1" and resid "44  " and name "HN  "))
 ASSI {  149}
   (( segid "RPB1" and resid "27  " and name "HA2 "))
   (( segid "RPB1" and resid "27  " and name "HN  "))
      2.100     0.600     0.600 peak   149 weight  0.10000E+01 volume  0.88538E+07 ppm1      7.737 ppm2      3.679
 OR {  149}
   (( segid "RPB1" and resid "38  " and name "HA2 "))
   (( segid "RPB1" and resid "38  " and name "HN  "))
 ASSI {  154}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "37  " and name "HN  "))
      2.700     0.900     0.900 peak   154 weight  0.10000E+01 volume  0.17918E+07 ppm1      8.216 ppm2      0.941
 OR {  154}
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
   (( segid "RPB1" and resid "37  " and name "HN  "))
 ASSI {  162}
   (( segid "RPB1" and resid "35  " and name "HB2 "))
   (( segid "RPB1" and resid "36  " and name "HN  "))
      2.000     2.000     2.500 peak   162 weight  0.10000E+01 volume  0.10386E+08 ppm1      8.103 ppm2      2.871
 OR {  162}
   (( segid "RPB1" and resid "36  " and name "HB1 "))
   (( segid "RPB1" and resid "36  " and name "HN  "))
 ASSI {  170}
   (( segid "RPB1" and resid "34  " and name "HA  "))
   (( segid "RPB1" and resid "34  " and name "HN  "))
      2.700     0.900     0.900 peak   170 weight  0.10000E+01 volume  0.18678E+07 ppm1      8.344 ppm2      3.864
 OR {  170}
   (( segid "RPB1" and resid "31  " and name "HA  "))
   (( segid "RPB1" and resid "34  " and name "HN  "))
 ASSI {  173}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "34  " and name "HN  "))
      2.700     0.900     0.900 peak   173 weight  0.10000E+01 volume  0.20811E+07 ppm1      8.347 ppm2      0.915
 OR {  173}
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
   (( segid "RPB1" and resid "34  " and name "HN  "))
 ASSI {  174}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "34  " and name "HN  "))
      2.600     0.800     0.800 peak   174 weight  0.10000E+01 volume  0.26647E+07 ppm1      8.347 ppm2      0.742
 OR {  174}
   (( segid "RPB1" and resid "34  " and name "HG  "))
   (( segid "RPB1" and resid "34  " and name "HN  "))
 ASSI {  177}
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
   (( segid "RPB1" and resid "33  " and name "HN  "))
      2.900     1.100     1.100 peak   177 weight  0.10000E+01 volume  0.12740E+07 ppm1      8.104 ppm2      0.928
 OR {  177}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "33  " and name "HN  "))
 ASSI {  180}
   (( segid "RPB1" and resid "31  " and name "HB1 "))
   (( segid "RPB1" and resid "33  " and name "HN  "))
      2.900     2.900     1.600 peak   180 weight  0.10000E+01 volume  0.13676E+07 ppm1      8.099 ppm2      1.838
 OR {  180}
   (( segid "RPB1" and resid "23  " and name "HB1 "))
   (( segid "RPB1" and resid "33  " and name "HN  "))
 OR {  180}
   (( segid "RPB1" and resid "28  " and name "HB1 "))
   (( segid "RPB1" and resid "33  " and name "HN  "))
 ASSI {  188}
   (( segid "RPB1" and resid "33  " and name "HB  "))
   (( segid "RPB1" and resid "32  " and name "HN  "))
      3.200     1.300     1.300 peak   188 weight  0.10000E+01 volume  0.66954E+06 ppm1      7.260 ppm2      1.999
 OR {  188}
   (( segid "RPB1" and resid "30  " and name "HB2 "))
   (( segid "RPB1" and resid "32  " and name "HN  "))
 ASSI {  192}
   (( segid "RPB1" and resid "31  " and name "HA  "))
   (( segid "RPB1" and resid "32  " and name "HN  "))
      4.100     2.100     1.400 peak   192 weight  0.10000E+01 volume  0.15016E+06 ppm1      7.259 ppm2      3.845
 OR {  192}
   (( segid "RPB1" and resid "30  " and name "HA  "))
   (( segid "RPB1" and resid "32  " and name "HN  "))
 ASSI {  197}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "31  " and name "HN  "))
      3.100     1.200     1.200 peak   197 weight  0.10000E+01 volume  0.91926E+06 ppm1      8.264 ppm2      0.731
 OR {  197}
   (( segid "RPB1" and resid "49  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD12"))
   (( segid "RPB1" and resid "31  " and name "HN  "))
 OR {  197}
   (( segid "RPB1" and resid "34  " and name "HG  "))
   (( segid "RPB1" and resid "31  " and name "HN  "))
 ASSI {  198}
   (( segid "RPB1" and resid "29  " and name "HB1 "))
   (( segid "RPB1" and resid "31  " and name "HN  "))
      2.800     1.000     1.000 peak   198 weight  0.10000E+01 volume  0.15535E+07 ppm1      8.259 ppm2      2.856
 OR {  198}
   (( segid "RPB1" and resid "30  " and name "HB1 "))
   (( segid "RPB1" and resid "31  " and name "HN  "))
 ASSI {  199}
   (( segid "RPB1" and resid "31  " and name "HA  "))
   (( segid "RPB1" and resid "31  " and name "HN  "))
      2.400     0.700     0.700 peak   199 weight  0.10000E+01 volume  0.42166E+07 ppm1      8.254 ppm2      3.848
 OR {  199}
   (( segid "RPB1" and resid "30  " and name "HA  "))
   (( segid "RPB1" and resid "31  " and name "HN  "))
 ASSI {  206}
   (( segid "RPB1" and resid "52  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG12"))
   (( segid "RPB1" and resid "51  " and name "HN  "))
      3.100     1.200     1.200 peak   206 weight  0.10000E+01 volume  0.85485E+06 ppm1      7.672 ppm2      0.752
 OR {  206}
   (( segid "RPB1" and resid "24  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG12"))
   (( segid "RPB1" and resid "28  " and name "HN  "))
 ASSI {  223}
   (( segid "RPB1" and resid "24  " and name "HA  "))
   (( segid "RPB1" and resid "25  " and name "HN  "))
      3.200     1.300     1.300 peak   223 weight  0.10000E+01 volume  0.75802E+06 ppm1      7.996 ppm2      4.003
 OR {  223}
   (( segid "RPB1" and resid "23  " and name "HA  "))
   (( segid "RPB1" and resid "25  " and name "HN  "))
 ASSI {  225}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "24  " and name "HN  "))
      2.400     0.700     0.700 peak   225 weight  0.10000E+01 volume  0.40880E+07 ppm1      8.175 ppm2      0.757
 OR {  225}
   (( segid "RPB1" and resid "24  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG12"))
   (( segid "RPB1" and resid "24  " and name "HN  "))
 ASSI {  235}
   (( segid "RPB1" and resid "4   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG22"))
   (( segid "RPB1" and resid "4   " and name "HN  "))
      2.400     0.700     0.700 peak   235 weight  0.10000E+01 volume  0.35260E+07 ppm1      7.947 ppm2      0.903
 OR {  235}
   (( segid "RPB1" and resid "23  " and name "HB2 "))
   (( segid "RPB1" and resid "23  " and name "HN  "))
 ASSI {  236}
   (( segid "RPB1" and resid "22  " and name "HG1 "))
   (( segid "RPB1" and resid "23  " and name "HN  "))
      2.000     2.000     2.500 peak   236 weight  0.10000E+01 volume  0.11861E+08 ppm1      7.924 ppm2      1.631
 OR {  236}
   (( segid "RPB1" and resid "23  " and name "HG2 "))
   (( segid "RPB1" and resid "23  " and name "HN  "))
 OR {  236}
   (( segid "RPB1" and resid "22  " and name "HG2 "))
   (( segid "RPB1" and resid "23  " and name "HN  "))
 ASSI {  240}
   (( segid "RPB1" and resid "1   " and name "HB2 "))
   (( segid "RPB1" and resid "13  " and name "HN  "))
      2.600     2.600     1.900 peak   240 weight  0.10000E+01 volume  0.24924E+07 ppm1      8.483 ppm2      2.276
 OR {  240}
   (( segid "RPB1" and resid "19  " and name "HG1 "))
   (( segid "RPB1" and resid "21  " and name "HN  "))
 ASSI {  241}
   (( segid "RPB1" and resid "12  " and name "HB1 "))
   (( segid "RPB1" and resid "13  " and name "HN  "))
      2.500     0.800     0.800 peak   241 weight  0.10000E+01 volume  0.28571E+07 ppm1      8.484 ppm2      2.122
 OR {  241}
   (( segid "RPB1" and resid "12  " and name "HB2 "))
   (( segid "RPB1" and resid "13  " and name "HN  "))
 OR {  241}
   (( segid "RPB1" and resid "21  " and name "HG1 "))
   (( segid "RPB1" and resid "21  " and name "HN  "))
 ASSI {  249}
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
   (( segid "RPB1" and resid "19  " and name "HN  "))
      3.100     1.200     1.200 peak   249 weight  0.10000E+01 volume  0.85677E+06 ppm1      8.392 ppm2      0.914
 OR {  249}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "19  " and name "HN  "))
 ASSI {  266}
   (( segid "RPB1" and resid "14  " and name "HA  "))
   (( segid "RPB1" and resid "14  " and name "HN  "))
      2.800     1.000     1.000 peak   266 weight  0.10000E+01 volume  0.14419E+07 ppm1      7.550 ppm2      4.723
 OR {  266}
   (( segid "RPB1" and resid "13  " and name "HA  "))
   (( segid "RPB1" and resid "14  " and name "HN  "))
 ASSI {  311}
   (( segid "RPB1" and resid "4   " and name "HA  "))
   (( segid "RPB1" and resid "4   " and name "HN  "))
      2.500     0.800     0.800 peak   311 weight  0.10000E+01 volume  0.33749E+07 ppm1      7.947 ppm2      3.959
 OR {  311}
   (( segid "RPB1" and resid "23  " and name "HA  "))
   (( segid "RPB1" and resid "23  " and name "HN  "))
 ASSI {  313}
   (( segid "RPB1" and resid "23  " and name "HB1 "))
   (( segid "RPB1" and resid "23  " and name "HN  "))
      2.000     0.500     0.500 peak   313 weight  0.10000E+01 volume  0.12400E+08 ppm1      7.948 ppm2      1.883
 OR {  313}
   (( segid "RPB1" and resid "22  " and name "HB1 "))
   (( segid "RPB1" and resid "23  " and name "HN  "))
 ASSI {  323}
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
   (( segid "RPB1" and resid "36  " and name "HN  "))
      3.500     1.500     1.500 peak   323 weight  0.10000E+01 volume  0.44673E+06 ppm1      8.097 ppm2      0.958
 OR {  323}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "36  " and name "HN  "))
 ASSI {  334}
   (( segid "RPB1" and resid "7   " and name "HA  "))
   (( segid "RPB1" and resid "2   " and name "HN  "))
      4.100     2.100     1.400 peak   334 weight  0.10000E+01 volume  0.16117E+06 ppm1      7.981 ppm2      4.096
 OR {  334}
   (( segid "RPB1" and resid "-1  " and name "HA  "))
   (( segid "RPB1" and resid "2   " and name "HN  "))
 ASSI {  347}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "47  " and name "HN  "))
      3.500     1.500     1.500 peak   347 weight  0.10000E+01 volume  0.43725E+06 ppm1      7.775 ppm2      0.937
 OR {  347}
   (( segid "RPB1" and resid "48  " and name "HB2 "))
   (( segid "RPB1" and resid "47  " and name "HN  "))
 OR {  347}
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
   (( segid "RPB1" and resid "22  " and name "HN  "))
 OR {  347}
   (( segid "RPB1" and resid "48  " and name "HB1 "))
   (( segid "RPB1" and resid "47  " and name "HN  "))
 ASSI {  349}
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
   (( segid "RPB1" and resid "47  " and name "HN  "))
      3.300     1.400     1.400 peak   349 weight  0.10000E+01 volume  0.56761E+06 ppm1      7.765 ppm2      0.417
 OR {  349}
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
   (( segid "RPB1" and resid "22  " and name "HN  "))
 ASSI {  350}
   (( segid "RPB1" and resid "41  " and name "HG2 "))
   (( segid "RPB1" and resid "44  " and name "HN  "))
      4.100     2.100     1.400 peak   350 weight  0.10000E+01 volume  0.15715E+06 ppm1      7.280 ppm2      1.774
 OR {  350}
   (( segid "RPB1" and resid "41  " and name "HG1 "))
   (( segid "RPB1" and resid "44  " and name "HN  "))
 OR {  350}
   (( segid "RPB1" and resid "45  " and name "HB1 "))
   (( segid "RPB1" and resid "44  " and name "HN  "))
 ASSI {  353}
   (( segid "RPB1" and resid "34  " and name "HG  "))
   (( segid "RPB1" and resid "45  " and name "HN  "))
      4.300     2.300     1.200 peak   353 weight  0.10000E+01 volume  0.11866E+06 ppm1      7.622 ppm2      0.716
 OR {  353}
   (( segid "RPB1" and resid "49  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD12"))
   (( segid "RPB1" and resid "45  " and name "HN  "))
 ASSI {  363}
   (( segid "RPB1" and resid "28  " and name "HB2 "))
   (( segid "RPB1" and resid "33  " and name "HN  "))
      3.600     1.600     1.600 peak   363 weight  0.10000E+01 volume  0.32288E+06 ppm1      8.114 ppm2      1.362
 OR {  363}
   (( segid "RPB1" and resid "34  " and name "HB1 "))
   (( segid "RPB1" and resid "33  " and name "HN  "))
 OR {  363}
   (( segid "RPB1" and resid "31  " and name "HG1 "))
   (( segid "RPB1" and resid "33  " and name "HN  "))
 ASSI {  109}
   (( segid "RPB1" and resid "27  " and name "HN  "))
   (( segid "RPB1" and resid "27  " and name "HA1 "))
      2.500     0.800     0.800 peak   109 weight  0.10000E+01 volume  0.70777E+07 ppm1      4.359 ppm2      7.723
 OR {  109}
   (( segid "RPB1" and resid "28  " and name "HN  "))
   (( segid "RPB1" and resid "27  " and name "HA1 "))
 ASSI {  296}
   (( segid "RPB1" and resid "16  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "16  " and name "HD2 "))
   (( segid "RPB1" and resid "16  " and name "HB1 "))
      2.200     0.600     0.600 peak   296 weight  0.10000E+01 volume  0.18924E+08 ppm1      3.132 ppm2      7.137
 OR {  296}
   (( segid "RPB1" and resid "17  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "17  " and name "HD2 "))
   (( segid "RPB1" and resid "17  " and name "HB1 "))
 ASSI {  559}
   (( segid "RPB1" and resid "38  " and name "HA1 "))
   (( segid "RPB1" and resid "37  " and name "HB2 "))
      2.600     2.600     1.900 peak   559 weight  0.10000E+01 volume  0.55542E+07 ppm1      1.773 ppm2      4.137
 OR {  559}
   (( segid "RPB1" and resid "6   " and name "HA  "))
   (( segid "RPB1" and resid "7   " and name "HB2 "))
 ASSI {  601}
   (( segid "RPB1" and resid "17  " and name "HA  "))
   (( segid "RPB1" and resid "17  " and name "HB1 "))
      2.200     0.600     0.600 peak   601 weight  0.10000E+01 volume  0.16687E+08 ppm1      3.096 ppm2      4.108
 OR {  601}
   (( segid "RPB1" and resid "17  " and name "HA  "))
   (( segid "RPB1" and resid "20  " and name "HB1 "))
 ASSI {  611}
   (( segid "RPB1" and resid "31  " and name "HA  "))
   (( segid "RPB1" and resid "49  " and name "HB  "))
      3.000     3.000     1.500 peak   611 weight  0.10000E+01 volume  0.23956E+07 ppm1      1.674 ppm2      3.795
 OR {  611}
   (( segid "RPB1" and resid "46  " and name "HA  "))
   (( segid "RPB1" and resid "49  " and name "HB  "))
 ASSI {  701}
   (( segid "RPB1" and resid "30  " and name "HA  "))
   (( segid "RPB1" and resid "33  " and name "HB  "))
      2.300     0.700     0.700 peak   701 weight  0.10000E+01 volume  0.13309E+08 ppm1      2.026 ppm2      3.901
 OR {  701}
   (( segid "RPB1" and resid "20  " and name "HA  "))
   (( segid "RPB1" and resid "33  " and name "HB  "))
 ASSI {  935}
   (( segid "RPB1" and resid "19  " and name "HB2 "))
   (( segid "RPB1" and resid "19  " and name "HG2 "))
      1.700     0.400     0.500 peak   935 weight  0.10000E+01 volume  0.92620E+08 ppm1      2.232 ppm2      1.954
 OR {  935}
   (( segid "RPB1" and resid "53  " and name "HB2 "))
   (( segid "RPB1" and resid "53  " and name "HG1 "))
 OR {  935}
   (( segid "RPB1" and resid "53  " and name "HB1 "))
   (( segid "RPB1" and resid "53  " and name "HG1 "))
 ASSI {  969}
   (( segid "RPB1" and resid "9   " and name "HB1 "))
   (( segid "RPB1" and resid "9   " and name "HB2 "))
      1.900     0.500     0.500 peak   969 weight  0.10000E+01 volume  0.36238E+08 ppm1      2.807 ppm2      3.118
 OR {  969}
   (( segid "RPB1" and resid "-1  " and name "HB1 "))
   (( segid "RPB1" and resid "-1  " and name "HB2 "))
 ASSI { 1185}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "37  " and name "HB2 "))
      2.300     0.700     0.700 peak  1185 weight  0.10000E+01 volume  0.11880E+08 ppm1      1.761 ppm2      0.948
 OR { 1185}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "7   " and name "HB2 "))
 OR { 1185}
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
   (( segid "RPB1" and resid "7   " and name "HB2 "))
 ASSI { 1266}
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
   (( segid "RPB1" and resid "2   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD12"))
      2.200     0.600     0.600 peak  1266 weight  0.10000E+01 volume  0.19063E+08 ppm1      0.739 ppm2      0.886
 OR { 1266}
   (( segid "RPB1" and resid "49  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG22"))
   (( segid "RPB1" and resid "49  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD12"))
 ASSI { 1322}
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
   (( segid "RPB1" and resid "52  " and name "HB  "))
      2.000     0.500     0.500 peak  1322 weight  0.10000E+01 volume  0.31902E+08 ppm1      2.012 ppm2      0.781
 OR { 1322}
   (( segid "RPB1" and resid "52  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG12"))
   (( segid "RPB1" and resid "52  " and name "HB  "))
 OR { 1322}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "33  " and name "HB  "))
 ASSI { 1507}
   (( segid "RPB1" and resid "37  " and name "HN  "))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
      2.800     1.000     1.000 peak  1507 weight  0.10000E+01 volume  0.38937E+07 ppm1      0.935 ppm2      8.222
 OR { 1507}
   (( segid "RPB1" and resid "20  " and name "HN  "))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
 ASSI { 1520}
   (( segid "RPB1" and resid "20  " and name "HN  "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.800     1.000     1.000 peak  1520 weight  0.10000E+01 volume  0.43224E+07 ppm1      0.935 ppm2      8.178
 OR { 1520}
   (( segid "RPB1" and resid "37  " and name "HN  "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
 ASSI { 1542}
   (( segid "RPB1" and resid "33  " and name "HN  "))
   (( segid "RPB1" and resid "33  " and name "HA  "))
      2.800     1.000     1.000 peak  1542 weight  0.10000E+01 volume  0.38606E+07 ppm1      3.397 ppm2      8.134
 OR { 1542}
   (( segid "RPB1" and resid "36  " and name "HN  "))
   (( segid "RPB1" and resid "33  " and name "HA  "))
 ASSI { 1550}
   (( segid "RPB1" and resid "28  " and name "HN  "))
   (( segid "RPB1" and resid "24  " and name "HA  "))
      2.900     1.100     1.100 peak  1550 weight  0.10000E+01 volume  0.33432E+07 ppm1      4.018 ppm2      7.694
 OR { 1550}
   (( segid "RPB1" and resid "27  " and name "HN  "))
   (( segid "RPB1" and resid "24  " and name "HA  "))
 ASSI { 1563}
   (( segid "RPB1" and resid "4   " and name "HN  "))
   (( segid "RPB1" and resid "4   " and name "HA  "))
      2.500     0.800     0.800 peak  1563 weight  0.10000E+01 volume  0.85043E+07 ppm1      3.953 ppm2      7.981
 OR { 1563}
   (( segid "RPB1" and resid "50  " and name "HN  "))
   (( segid "RPB1" and resid "50  " and name "HB2 "))
 ASSI { 1571}
   (( segid "RPB1" and resid "20  " and name "HN  "))
   (( segid "RPB1" and resid "20  " and name "HA  "))
      2.700     0.900     0.900 peak  1571 weight  0.10000E+01 volume  0.45012E+07 ppm1      3.942 ppm2      8.172
 OR { 1571}
   (( segid "RPB1" and resid "24  " and name "HN  "))
   (( segid "RPB1" and resid "20  " and name "HA  "))
 ASSI { 1589}
   (( segid "RPB1" and resid "22  " and name "HN  "))
   (( segid "RPB1" and resid "22  " and name "HA  "))
      2.400     0.700     0.700 peak  1589 weight  0.10000E+01 volume  0.94971E+07 ppm1      3.912 ppm2      7.803
 OR { 1589}
   (( segid "RPB1" and resid "35  " and name "HN  "))
   (( segid "RPB1" and resid "34  " and name "HA  "))
 ASSI { 1601}
   (( segid "RPB1" and resid "54  " and name "HN  "))
   (( segid "RPB1" and resid "53  " and name "HA  "))
      2.100     0.600     0.600 peak  1601 weight  0.10000E+01 volume  0.20413E+08 ppm1      4.154 ppm2      7.710
 OR { 1601}
   (( segid "RPB1" and resid "28  " and name "HN  "))
   (( segid "RPB1" and resid "28  " and name "HA  "))
 ASSI { 1647}
   (( segid "RPB1" and resid "16  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "16  " and name "HD2 "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.800     2.800     1.700 peak  1647 weight  0.10000E+01 volume  0.35223E+07 ppm1      0.952 ppm2      7.156
 OR { 1647}
   (( segid "RPB1" and resid "17  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "17  " and name "HD2 "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
 ASSI { 1808}
   (( segid "RPB1" and resid "22  " and name "HA  "))
   (( segid "RPB1" and resid "22  " and name "HB2 "))
      2.400     0.700     0.700 peak  1808 weight  0.10000E+01 volume  0.10229E+08 ppm1      1.878 ppm2      3.947
 OR { 1808}
   (( segid "RPB1" and resid "23  " and name "HA  "))
   (( segid "RPB1" and resid "23  " and name "HB1 "))
 OR { 1808}
   (( segid "RPB1" and resid "20  " and name "HA  "))
   (( segid "RPB1" and resid "23  " and name "HB1 "))
 ASSI { 1811}
   (( segid "RPB1" and resid "19  " and name "HA  "))
   (( segid "RPB1" and resid "22  " and name "HB1 "))
      2.200     0.600     0.600 peak  1811 weight  0.10000E+01 volume  0.17560E+08 ppm1      1.927 ppm2      4.160
 OR { 1811}
   (( segid "RPB1" and resid "53  " and name "HA  "))
   (( segid "RPB1" and resid "53  " and name "HB2 "))
 OR { 1811}
   (( segid "RPB1" and resid "53  " and name "HA  "))
   (( segid "RPB1" and resid "53  " and name "HB1 "))
 ASSI { 1814}
   (( segid "RPB1" and resid "44  " and name "HA  "))
   (( segid "RPB1" and resid "44  " and name "HB1 "))
      2.100     0.600     0.600 peak  1814 weight  0.10000E+01 volume  0.22274E+08 ppm1      2.710 ppm2      4.033
 OR { 1814}
   (( segid "RPB1" and resid "43  " and name "HA  "))
   (( segid "RPB1" and resid "43  " and name "HB2 "))
 ASSI { 1818}
   (( segid "RPB1" and resid "42  " and name "HA  "))
   (( segid "RPB1" and resid "44  " and name "HB2 "))
      2.500     2.500     2.000 peak  1818 weight  0.10000E+01 volume  0.82556E+07 ppm1      2.708 ppm2      3.890
 OR { 1818}
   (( segid "RPB1" and resid "42  " and name "HA  "))
   (( segid "RPB1" and resid "43  " and name "HB2 "))
 OR { 1818}
   (( segid "RPB1" and resid "8   " and name "HB1 "))
   (( segid "RPB1" and resid "44  " and name "HB1 "))
 OR { 1818}
   (( segid "RPB1" and resid "42  " and name "HA  "))
   (( segid "RPB1" and resid "44  " and name "HB1 "))
 OR { 1818}
   (( segid "RPB1" and resid "48  " and name "HA  "))
   (( segid "RPB1" and resid "44  " and name "HB1 "))
 ASSI { 1856}
   (( segid "RPB1" and resid "30  " and name "HD2 "))
   (( segid "RPB1" and resid "30  " and name "HG1 "))
      2.300     0.700     0.700 peak  1856 weight  0.10000E+01 volume  0.13532E+08 ppm1      1.997 ppm2      4.052
 OR { 1856}
   (( segid "RPB1" and resid "24  " and name "HA  "))
   (( segid "RPB1" and resid "30  " and name "HG1 "))
 ASSI { 1867}
   (( segid "RPB1" and resid "31  " and name "HA  "))
   (( segid "RPB1" and resid "34  " and name "HG  "))
      3.000     1.100     1.100 peak  1867 weight  0.10000E+01 volume  0.26545E+07 ppm1      0.742 ppm2      3.843
 OR { 1867}
   (( segid "RPB1" and resid "34  " and name "HA  "))
   (( segid "RPB1" and resid "34  " and name "HG  "))
 ASSI { 1891}
   (( segid "RPB1" and resid "19  " and name "HA  "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.500     2.500     2.000 peak  1891 weight  0.10000E+01 volume  0.82608E+07 ppm1      0.910 ppm2      4.086
 OR { 1891}
   (( segid "RPB1" and resid "17  " and name "HA  "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
 ASSI { 1900}
   (( segid "RPB1" and resid "30  " and name "HA  "))
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
      2.400     0.700     0.700 peak  1900 weight  0.10000E+01 volume  0.10797E+08 ppm1      0.387 ppm2      3.908
 OR { 1900}
   (( segid "RPB1" and resid "20  " and name "HA  "))
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
 ASSI { 2001}
   (( segid "RPB1" and resid "30  " and name "HA  "))
   (( segid "RPB1" and resid "20  " and name "HB2 "))
      2.600     2.600     1.900 peak  2001 weight  0.10000E+01 volume  0.55665E+07 ppm1      2.873 ppm2      3.856
 OR { 2001}
   (( segid "RPB1" and resid "34  " and name "HA  "))
   (( segid "RPB1" and resid "20  " and name "HB2 "))
 ASSI { 2129}
   (( segid "RPB1" and resid "23  " and name "HB1 "))
   (( segid "RPB1" and resid "23  " and name "HG2 "))
      1.500     0.300     0.700 peak  2129 weight  0.10000E+01 volume  0.17120E+09 ppm1      1.611 ppm2      1.884
 OR { 2129}
   (( segid "RPB1" and resid "22  " and name "HB1 "))
   (( segid "RPB1" and resid "22  " and name "HG2 "))
 OR { 2129}
   (( segid "RPB1" and resid "22  " and name "HB2 "))
   (( segid "RPB1" and resid "22  " and name "HG2 "))
 OR { 2129}
   (( segid "RPB1" and resid "22  " and name "HB1 "))
   (( segid "RPB1" and resid "22  " and name "HG1 "))
 ASSI { 2157}
   (( segid "RPB1" and resid "44  " and name "HB2 "))
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
      2.600     2.600     1.900 peak  2157 weight  0.10000E+01 volume  0.56145E+07 ppm1      0.435 ppm2      2.759
 OR { 2157}
   (( segid "RPB1" and resid "16  " and name "HB2 "))
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
 ASSI { 2161}
   (( segid "RPB1" and resid "33  " and name "HB  "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.000     0.500     0.500 peak  2161 weight  0.10000E+01 volume  0.26363E+08 ppm1      0.928 ppm2      2.037
 OR { 2161}
   (( segid "RPB1" and resid "1   " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE2 "))
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
 ASSI { 2164}
   (( segid "RPB1" and resid "19  " and name "HB1 "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.000     0.500     0.500 peak  2164 weight  0.10000E+01 volume  0.32910E+08 ppm1      0.941 ppm2      2.117
 OR { 2164}
   (( segid "RPB1" and resid "37  " and name "HG  "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
 ASSI { 2200}
   (( segid "RPB1" and resid "36  " and name "HB1 "))
   (( segid "RPB1" and resid "33  " and name "HA  "))
      2.600     0.800     0.800 peak  2200 weight  0.10000E+01 volume  0.62048E+07 ppm1      3.399 ppm2      2.898
 OR { 2200}
   (( segid "RPB1" and resid "32  " and name "HB2 "))
   (( segid "RPB1" and resid "33  " and name "HA  "))
 ASSI { 2214}
   (( segid "RPB1" and resid "33  " and name "HB  "))
   (( segid "RPB1" and resid "30  " and name "HA  "))
      2.400     0.700     0.700 peak  2214 weight  0.10000E+01 volume  0.98013E+07 ppm1      3.867 ppm2      2.018
 OR { 2214}
   (( segid "RPB1" and resid "30  " and name "HB2 "))
   (( segid "RPB1" and resid "30  " and name "HA  "))
 ASSI { 2290}
   (( segid "RPB1" and resid "22  " and name "HB1 "))
   (( segid "RPB1" and resid "19  " and name "HA  "))
      2.300     0.700     0.700 peak  2290 weight  0.10000E+01 volume  0.11720E+08 ppm1      4.109 ppm2      1.925
 OR { 2290}
   (( segid "RPB1" and resid "19  " and name "HB2 "))
   (( segid "RPB1" and resid "19  " and name "HA  "))
 ASSI { 2292}
   (( segid "RPB1" and resid "22  " and name "HB2 "))
   (( segid "RPB1" and resid "22  " and name "HA  "))
      2.100     0.600     0.600 peak  2292 weight  0.10000E+01 volume  0.25198E+08 ppm1      3.917 ppm2      1.898
 OR { 2292}
   (( segid "RPB1" and resid "34  " and name "HB2 "))
   (( segid "RPB1" and resid "34  " and name "HA  "))
 ASSI { 2307}
   (( segid "RPB1" and resid "36  " and name "HB1 "))
   (( segid "RPB1" and resid "36  " and name "HA  "))
      1.900     0.500     0.500 peak  2307 weight  0.10000E+01 volume  0.43427E+08 ppm1      4.437 ppm2      2.878
 OR { 2307}
   (( segid "RPB1" and resid "18  " and name "HB2 "))
   (( segid "RPB1" and resid "18  " and name "HA  "))
 OR { 2307}
   (( segid "RPB1" and resid "18  " and name "HB1 "))
   (( segid "RPB1" and resid "18  " and name "HA  "))
 ASSI { 2386}
   (( segid "RPB1" and resid "24  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG12"))
   (( segid "RPB1" and resid "30  " and name "HG1 "))
      2.300     0.700     0.700 peak  2386 weight  0.10000E+01 volume  0.13570E+08 ppm1      1.995 ppm2      0.768
 OR { 2386}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "23  " and name "HG1 "))
 ASSI { 2406}
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
   (( segid "RPB1" and resid "37  " and name "HG  "))
      2.100     0.600     0.600 peak  2406 weight  0.10000E+01 volume  0.24169E+08 ppm1      2.104 ppm2      0.955
 OR { 2406}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "37  " and name "HG  "))
 OR { 2406}
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
   (( segid "RPB1" and resid "37  " and name "HG  "))
 ASSI { 2410}
   (( segid "RPB1" and resid "45  " and name "HG2 "))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
      2.200     2.200     2.300 peak  2410 weight  0.10000E+01 volume  0.15994E+08 ppm1      0.934 ppm2      1.697
 OR { 2410}
   (( segid "RPB1" and resid "45  " and name "HG1 "))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
 OR { 2410}
   (( segid "RPB1" and resid "49  " and name "HB  "))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
 ASSI { 2489}
   (( segid "RPB1" and resid "34  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD22"))
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
      1.900     1.900     2.600 peak  2489 weight  0.10000E+01 volume  0.39465E+08 ppm1      0.926 ppm2      0.653
 OR { 2489}
   (( segid "RPB1" and resid "13  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG22"))
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
 ASSI { 2629}
   (( segid "RPB1" and resid "34  " and name "HB1 "))
   (( segid "RPB1" and resid "34  " and name "HA  "))
      2.100     0.600     0.600 peak  2629 weight  0.10000E+01 volume  0.19580E+08 ppm1      3.877 ppm2      1.383
 OR { 2629}
   (( segid "RPB1" and resid "48  " and name "HG  "))
   (( segid "RPB1" and resid "48  " and name "HA  "))
 ASSI { 2643}
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
   (( segid "RPB1" and resid "7   " and name "HA  "))
      2.400     0.700     0.700 peak  2643 weight  0.10000E+01 volume  0.95642E+07 ppm1      4.079 ppm2      0.926
 OR { 2643}
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
   (( segid "RPB1" and resid "7   " and name "HA  "))
 ASSI { 2692}
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
   (( segid "RPB1" and resid "24  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG12"))
      2.300     0.700     0.700 peak  2692 weight  0.10000E+01 volume  0.11984E+08 ppm1      0.758 ppm2      0.409
 OR { 2692}
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
 ASSI { 2768}
   (( segid "RPB1" and resid "46  " and name "HG1 "))
   (( segid "RPB1" and resid "46  " and name "HD1 "))
      2.000     0.500     0.500 peak  2768 weight  0.10000E+01 volume  0.25484E+08 ppm1      3.051 ppm2      1.529
 OR { 2768}
   (( segid "RPB1" and resid "46  " and name "HG1 "))
   (( segid "RPB1" and resid "46  " and name "HD2 "))
 OR { 2768}
   (( segid "RPB1" and resid "11  " and name "HD2 "))
   (( segid "RPB1" and resid "11  " and name "HE2 "))
 ASSI { 2773}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "30  " and name "HB1 "))
      2.800     1.000     1.000 peak  2773 weight  0.10000E+01 volume  0.36300E+07 ppm1      2.860 ppm2      0.769
 OR { 2773}
   (( segid "RPB1" and resid "24  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG12"))
   (( segid "RPB1" and resid "30  " and name "HB1 "))
 ASSI { 2776}
   (( segid "RPB1" and resid "18  " and name "HB2 "))
   (( segid "RPB1" and resid "18  " and name "HA  "))
      2.000     0.500     0.500 peak  2776 weight  0.10000E+01 volume  0.31930E+08 ppm1      4.373 ppm2      2.875
 OR { 2776}
   (( segid "RPB1" and resid "18  " and name "HB1 "))
   (( segid "RPB1" and resid "18  " and name "HA  "))
 OR { 2776}
   (( segid "RPB1" and resid "32  " and name "HB2 "))
   (( segid "RPB1" and resid "32  " and name "HA  "))
 ASSI { 2795}
   (( segid "RPB1" and resid "10  " and name "HN  "))
   (( segid "RPB1" and resid "9   " and name "HB1 "))
      3.000     1.100     1.100 peak  2795 weight  0.10000E+01 volume  0.25084E+07 ppm1      3.141 ppm2      7.686
 OR { 2795}
   (( segid "RPB1" and resid "41  " and name "HN  "))
   (( segid "RPB1" and resid "9   " and name "HB1 "))
 ASSI { 2808}
   (( segid "RPB1" and resid "30  " and name "HA  "))
   (( segid "RPB1" and resid "30  " and name "HB2 "))
      2.400     0.700     0.700 peak  2808 weight  0.10000E+01 volume  0.10590E+08 ppm1      1.995 ppm2      3.870
 OR { 2808}
   (( segid "RPB1" and resid "31  " and name "HA  "))
   (( segid "RPB1" and resid "30  " and name "HB2 "))
 ASSI { 2815}
   (( segid "RPB1" and resid "41  " and name "HB2 "))
   (( segid "RPB1" and resid "43  " and name "HB2 "))
      2.400     2.400     2.100 peak  2815 weight  0.10000E+01 volume  0.89595E+07 ppm1      2.722 ppm2      2.088
 OR { 2815}
   (( segid "RPB1" and resid "41  " and name "HB2 "))
   (( segid "RPB1" and resid "44  " and name "HB2 "))
 ASSI { 2816}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "44  " and name "HB1 "))
      2.600     0.800     0.800 peak  2816 weight  0.10000E+01 volume  0.63033E+07 ppm1      2.717 ppm2      0.952
 OR { 2816}
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
   (( segid "RPB1" and resid "44  " and name "HB1 "))
 OR { 2816}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "44  " and name "HB2 "))
 ASSI { 2843}
   (( segid "RPB1" and resid "52  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG12"))
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
      2.300     2.300     2.200 peak  2843 weight  0.10000E+01 volume  0.11561E+08 ppm1      0.935 ppm2      0.726
 OR { 2843}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
 OR { 2843}
   (( segid "RPB1" and resid "34  " and name "HG  "))
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
 ASSI { 2872}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.000     0.500     0.500 peak  2872 weight  0.10000E+01 volume  0.26240E+08 ppm1      0.937 ppm2      0.744
 OR { 2872}
   (( segid "RPB1" and resid "2   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD12"))
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
 ASSI { 2878}
   (( segid "RPB1" and resid "17  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "17  " and name "HD2 "))
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
      3.200     1.300     1.300 peak  2878 weight  0.10000E+01 volume  0.18267E+07 ppm1      0.422 ppm2      7.128
 OR { 2878}
   (( segid "RPB1" and resid "16  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "16  " and name "HD2 "))
   (( segid "RPB1" and resid "39  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "39  " and name "HD12"))
 ASSI { 2897}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "45  " and name "HA  "))
      2.600     2.600     1.900 peak  2897 weight  0.10000E+01 volume  0.59399E+07 ppm1      3.540 ppm2      0.980
 OR { 2897}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "45  " and name "HA  "))
 ASSI { 2906}
   (( segid "RPB1" and resid "6   " and name "HA  "))
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
      3.000     1.100     1.100 peak  2906 weight  0.10000E+01 volume  0.28438E+07 ppm1      1.968 ppm2      4.187
 OR { 2906}
   (( segid "RPB1" and resid "47  " and name "HA  "))
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
 ASSI { 2913}
   (( segid "RPB1" and resid "53  " and name "HB1 "))
   (( segid "RPB1" and resid "2   " and name "HG11"))
      1.900     1.900     2.600 peak  2913 weight  0.10000E+01 volume  0.44424E+08 ppm1      1.609 ppm2      1.960
 OR { 2913}
   (( segid "RPB1" and resid "52  " and name "HB  "))
   (( segid "RPB1" and resid "49  " and name "HG12"))
 OR { 2913}
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
   (( segid "RPB1" and resid "2   " and name "HG12"))
 OR { 2913}
   (( segid "RPB1" and resid "30  " and name "HB2 "))
   (( segid "RPB1" and resid "49  " and name "HG12"))
 OR { 2913}
   (( segid "RPB1" and resid "53  " and name "HB1 "))
   (( segid "RPB1" and resid "2   " and name "HG12"))
 OR { 2913}
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
   (( segid "RPB1" and resid "2   " and name "HG11"))
 ASSI { 2931}
   (( segid "RPB1" and resid "13  " and name "HA  "))
   (( segid "RPB1" and resid "15  " and name "HB1 ")
     OR 
    ( segid "RPB1" and resid "15  " and name "HB3 ")
     OR 
    ( segid "RPB1" and resid "15  " and name "HB2 "))
      3.300     1.400     1.400 peak  2931 weight  0.10000E+01 volume  0.13762E+07 ppm1      1.054 ppm2      4.750
 OR { 2931}
   (( segid "RPB1" and resid "14  " and name "HA  "))
   (( segid "RPB1" and resid "15  " and name "HB1 ")
     OR 
    ( segid "RPB1" and resid "15  " and name "HB3 ")
     OR 
    ( segid "RPB1" and resid "15  " and name "HB2 "))
 ASSI { 2939}
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
   (( segid "RPB1" and resid "19  " and name "HB2 "))
      2.600     0.800     0.800 peak  2939 weight  0.10000E+01 volume  0.66010E+07 ppm1      1.926 ppm2      0.960
 OR { 2939}
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
   (( segid "RPB1" and resid "19  " and name "HB2 "))
 ASSI { 2946}
   (( segid "RPB1" and resid "23  " and name "HG2 "))
   (( segid "RPB1" and resid "23  " and name "HA  "))
      2.400     0.700     0.700 peak  2946 weight  0.10000E+01 volume  0.10605E+08 ppm1      3.980 ppm2      1.614
 OR { 2946}
   (( segid "RPB1" and resid "22  " and name "HG1 "))
   (( segid "RPB1" and resid "23  " and name "HA  "))
 ASSI { 2951}
   (( segid "RPB1" and resid "30  " and name "HB1 "))
   (( segid "RPB1" and resid "24  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG12"))
      2.800     1.000     1.000 peak  2951 weight  0.10000E+01 volume  0.40735E+07 ppm1      0.739 ppm2      2.885
 OR { 2951}
   (( segid "RPB1" and resid "20  " and name "HB2 "))
   (( segid "RPB1" and resid "52  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG12"))
 OR { 2951}
   (( segid "RPB1" and resid "30  " and name "HB1 "))
   (( segid "RPB1" and resid "52  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG12"))
 ASSI { 2981}
   (( segid "RPB1" and resid "40  " and name "HB1 "))
   (( segid "RPB1" and resid "40  " and name "HG2 "))
      1.500     0.300     0.700 peak  2981 weight  0.10000E+01 volume  0.16432E+09 ppm1      1.380 ppm2      1.677
 OR { 2981}
   (( segid "RPB1" and resid "31  " and name "HD2 "))
   (( segid "RPB1" and resid "31  " and name "HG1 "))
 OR { 2981}
   (( segid "RPB1" and resid "31  " and name "HD1 "))
   (( segid "RPB1" and resid "31  " and name "HG1 "))
 OR { 2981}
   (( segid "RPB1" and resid "31  " and name "HD1 "))
   (( segid "RPB1" and resid "31  " and name "HG2 "))
 ASSI { 2986}
   (( segid "RPB1" and resid "33  " and name "HN  "))
   (( segid "RPB1" and resid "32  " and name "HB2 "))
      2.500     0.800     0.800 peak  2986 weight  0.10000E+01 volume  0.75606E+07 ppm1      2.899 ppm2      8.139
 OR { 2986}
   (( segid "RPB1" and resid "36  " and name "HN  "))
   (( segid "RPB1" and resid "35  " and name "HB2 "))
 ASSI { 3008}
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
      2.400     2.400     2.100 peak  3008 weight  0.10000E+01 volume  0.10047E+08 ppm1      0.943 ppm2      0.382
 OR { 3008}
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
 ASSI {   10}
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
   (( segid "RPB1" and resid "20  " and name "HB2 "))
      2.600     0.800     0.800 peak    10 weight  0.10000E+01 volume  0.80522E+07 ppm1      6.710 ppm2      2.847
 OR {   10}
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
   (( segid "RPB1" and resid "30  " and name "HB1 "))
 ASSI {   11}
   (( segid "RPB1" and resid "20  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HE2 "))
   (( segid "RPB1" and resid "30  " and name "HB1 "))
      2.600     0.800     0.800 peak    11 weight  0.10000E+01 volume  0.77257E+07 ppm1      6.683 ppm2      2.849
 OR {   11}
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
   (( segid "RPB1" and resid "20  " and name "HB2 "))
 ASSI {   21}
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
      2.100     0.600     0.600 peak    21 weight  0.10000E+01 volume  0.24363E+08 ppm1      6.702 ppm2      0.944
 OR {   21}
   (( segid "RPB1" and resid "20  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HD2 "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
 ASSI {   23}
   (( segid "RPB1" and resid "20  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HE2 "))
   (( segid "RPB1" and resid "52  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG12"))
      2.200     0.600     0.600 peak    23 weight  0.10000E+01 volume  0.21556E+08 ppm1      6.683 ppm2      0.752
 OR {   23}
   (( segid "RPB1" and resid "20  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "20  " and name "HE2 "))
   (( segid "RPB1" and resid "24  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG12"))
 ASSI {   30}
   (( segid "RPB1" and resid "42  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "42  " and name "HD2 "))
   (( segid "RPB1" and resid "42  " and name "HB2 "))
      2.200     0.600     0.600 peak    30 weight  0.10000E+01 volume  0.21369E+08 ppm1      7.154 ppm2      3.152
 OR {   30}
   (( segid "RPB1" and resid "16  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "16  " and name "HD2 "))
   (( segid "RPB1" and resid "16  " and name "HB1 "))
 OR {   30}
   (( segid "RPB1" and resid "17  " and name "HD1 ")
     OR 
    ( segid "RPB1" and resid "17  " and name "HD2 "))
   (( segid "RPB1" and resid "17  " and name "HB1 "))
 ASSI {   59}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "1   " and name "HB2 "))
      2.500     2.500     2.000 peak    59 weight  0.10000E+01 volume  0.10530E+08 ppm1      0.967 ppm2      2.252
 OR {   59}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "19  " and name "HG2 "))
 OR {   59}
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
   (( segid "RPB1" and resid "19  " and name "HG2 "))
 OR {   59}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "19  " and name "HG1 "))
 ASSI {   72}
   (( segid "RPB1" and resid "23  " and name "HB2 "))
   (( segid "RPB1" and resid "30  " and name "HG1 "))
      2.300     2.300     2.200 peak    72 weight  0.10000E+01 volume  0.14389E+08 ppm1      0.874 ppm2      1.989
 OR {   72}
   (( segid "RPB1" and resid "4   " and name "HG11")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG13")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG12"))
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
 ASSI {   81}
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
   (( segid "RPB1" and resid "7   " and name "HB2 "))
      2.000     2.000     2.500 peak    81 weight  0.10000E+01 volume  0.35720E+08 ppm1      0.973 ppm2      1.781
 OR {   81}
   (( segid "RPB1" and resid "37  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD22"))
   (( segid "RPB1" and resid "37  " and name "HB2 "))
 ASSI {   82}
   (( segid "RPB1" and resid "49  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD12"))
   (( segid "RPB1" and resid "46  " and name "HB1 "))
      2.600     2.600     1.900 peak    82 weight  0.10000E+01 volume  0.79151E+07 ppm1      0.707 ppm2      1.773
 OR {   82}
   (( segid "RPB1" and resid "2   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG22"))
   (( segid "RPB1" and resid "7   " and name "HG  "))
 ASSI {  102}
   (( segid "RPB1" and resid "49  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG22"))
   (( segid "RPB1" and resid "31  " and name "HG1 "))
      2.200     0.600     0.600 peak   102 weight  0.10000E+01 volume  0.18381E+08 ppm1      0.852 ppm2      1.393
 OR {  102}
   (( segid "RPB1" and resid "4   " and name "HG11")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG13")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG12"))
   (( segid "RPB1" and resid "5   " and name "HB2 "))
 ASSI {  119}
   (( segid "RPB1" and resid "34  " and name "HG  "))
   (( segid "RPB1" and resid "49  " and name "HG11"))
      2.600     0.800     0.800 peak   119 weight  0.10000E+01 volume  0.84995E+07 ppm1      0.767 ppm2      1.110
 OR {  119}
   (( segid "RPB1" and resid "24  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG12"))
   (( segid "RPB1" and resid "54  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG22"))
 ASSI {  173}
   (( segid "RPB1" and resid "30  " and name "HG1 "))
   (( segid "RPB1" and resid "30  " and name "HG2 "))
      1.900     0.500     0.500 peak   173 weight  0.10000E+01 volume  0.57231E+08 ppm1      1.974 ppm2      2.150
 OR {  173}
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
   (( segid "RPB1" and resid "47  " and name "HB1 "))
 ASSI {  186}
   (( segid "RPB1" and resid "46  " and name "HG1 "))
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
      1.900     1.900     2.600 peak   186 weight  0.10000E+01 volume  0.49918E+08 ppm1      1.582 ppm2      1.994
 OR {  186}
   (( segid "RPB1" and resid "2   " and name "HB  "))
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
 OR {  186}
   (( segid "RPB1" and resid "2   " and name "HG12"))
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
 ASSI {  192}
   (( segid "RPB1" and resid "40  " and name "HB1 "))
   (( segid "RPB1" and resid "40  " and name "HB2 "))
      1.800     0.400     0.400 peak   192 weight  0.10000E+01 volume  0.78397E+08 ppm1      1.702 ppm2      1.915
 OR {  192}
   (( segid "RPB1" and resid "11  " and name "HG2 "))
   (( segid "RPB1" and resid "11  " and name "HB1 "))
 ASSI {  196}
   (( segid "RPB1" and resid "5   " and name "HB2 "))
   (( segid "RPB1" and resid "4   " and name "HB  "))
      1.800     1.800     2.700 peak   196 weight  0.10000E+01 volume  0.70029E+08 ppm1      1.393 ppm2      1.876
 OR {  196}
   (( segid "RPB1" and resid "31  " and name "HG1 "))
   (( segid "RPB1" and resid "34  " and name "HB2 "))
 ASSI {  208}
   (( segid "RPB1" and resid "11  " and name "HD1 "))
   (( segid "RPB1" and resid "11  " and name "HG1 "))
      2.200     0.600     0.600 peak   208 weight  0.10000E+01 volume  0.20026E+08 ppm1      1.467 ppm2      1.678
 OR {  208}
   (( segid "RPB1" and resid "46  " and name "HG2 "))
   (( segid "RPB1" and resid "46  " and name "HB2 "))
 OR {  208}
   (( segid "RPB1" and resid "11  " and name "HD1 "))
   (( segid "RPB1" and resid "11  " and name "HG2 "))
 ASSI {  215}
   (( segid "RPB1" and resid "34  " and name "HB1 "))
   (( segid "RPB1" and resid "45  " and name "HB2 "))
      2.400     2.400     2.100 peak   215 weight  0.10000E+01 volume  0.13615E+08 ppm1      1.361 ppm2      1.582
 OR {  215}
   (( segid "RPB1" and resid "48  " and name "HG  "))
   (( segid "RPB1" and resid "46  " and name "HG1 "))
 OR {  215}
   (( segid "RPB1" and resid "48  " and name "HG  "))
   (( segid "RPB1" and resid "49  " and name "HG12"))
 OR {  215}
   (( segid "RPB1" and resid "48  " and name "HG  "))
   (( segid "RPB1" and resid "45  " and name "HB2 "))
 OR {  215}
   (( segid "RPB1" and resid "31  " and name "HG2 "))
   (( segid "RPB1" and resid "45  " and name "HB2 "))
 ASSI {  254}
   (( segid "RPB1" and resid "39  " and name "HB1 "))
   (( segid "RPB1" and resid "13  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG22"))
      2.400     2.400     2.100 peak   254 weight  0.10000E+01 volume  0.12056E+08 ppm1      1.237 ppm2      0.631
 OR {  254}
   (( segid "RPB1" and resid "39  " and name "HB2 "))
   (( segid "RPB1" and resid "34  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD22"))
 OR {  254}
   (( segid "RPB1" and resid "39  " and name "HB2 "))
   (( segid "RPB1" and resid "13  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG22"))
 ASSI {  263}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "34  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD22"))
      2.100     2.100     2.400 peak   263 weight  0.10000E+01 volume  0.30408E+08 ppm1      0.775 ppm2      0.608
 OR {  263}
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
   (( segid "RPB1" and resid "13  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG22"))
 ASSI {  348}
   (( segid "RPB1" and resid "52  " and name "HB  "))
   (( segid "RPB1" and resid "54  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG22"))
      2.500     2.500     2.000 peak   348 weight  0.10000E+01 volume  0.92336E+07 ppm1      1.977 ppm2      1.070
 OR {  348}
   (( segid "RPB1" and resid "30  " and name "HB2 "))
   (( segid "RPB1" and resid "49  " and name "HG11"))
 OR {  348}
   (( segid "RPB1" and resid "30  " and name "HG1 "))
   (( segid "RPB1" and resid "54  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "54  " and name "HG22"))
 ASSI {  356}
   (( segid "RPB1" and resid "2   " and name "HG12"))
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
      1.900     1.900     2.600 peak   356 weight  0.10000E+01 volume  0.48667E+08 ppm1      1.547 ppm2      0.953
 OR {  356}
   (( segid "RPB1" and resid "2   " and name "HG11"))
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
 OR {  356}
   (( segid "RPB1" and resid "46  " and name "HG1 "))
   (( segid "RPB1" and resid "7   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD12"))
 ASSI {  357}
   (( segid "RPB1" and resid "52  " and name "HB  "))
   (( segid "RPB1" and resid "48  " and name "HB1 "))
      2.000     0.500     0.500 peak   357 weight  0.10000E+01 volume  0.34212E+08 ppm1      1.977 ppm2      0.944
 OR {  357}
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
 ASSI {  358}
   (( segid "RPB1" and resid "45  " and name "HB1 "))
   (( segid "RPB1" and resid "48  " and name "HB2 "))
      1.900     1.900     2.600 peak   358 weight  0.10000E+01 volume  0.49259E+08 ppm1      1.795 ppm2      0.947
 OR {  358}
   (( segid "RPB1" and resid "45  " and name "HB1 "))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
 OR {  358}
   (( segid "RPB1" and resid "45  " and name "HB1 "))
   (( segid "RPB1" and resid "48  " and name "HB1 "))
 ASSI {  359}
   (( segid "RPB1" and resid "47  " and name "HB2 "))
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
      2.200     2.200     2.300 peak   359 weight  0.10000E+01 volume  0.21473E+08 ppm1      2.381 ppm2      0.939
 OR {  359}
   (( segid "RPB1" and resid "47  " and name "HB2 "))
   (( segid "RPB1" and resid "48  " and name "HB2 "))
 ASSI {  372}
   (( segid "RPB1" and resid "7   " and name "HG  "))
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
      2.000     2.000     2.500 peak   372 weight  0.10000E+01 volume  0.32351E+08 ppm1      1.758 ppm2      0.774
 OR {  372}
   (( segid "RPB1" and resid "7   " and name "HB2 "))
   (( segid "RPB1" and resid "52  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG22"))
 OR {  372}
   (( segid "RPB1" and resid "37  " and name "HB2 "))
   (( segid "RPB1" and resid "34  " and name "HG  "))
 OR {  372}
   (( segid "RPB1" and resid "31  " and name "HB2 "))
   (( segid "RPB1" and resid "34  " and name "HG  "))
 ASSI {  374}
   (( segid "RPB1" and resid "28  " and name "HB2 "))
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
      1.900     1.900     2.600 peak   374 weight  0.10000E+01 volume  0.47360E+08 ppm1      1.390 ppm2      0.761
 OR {  374}
   (( segid "RPB1" and resid "31  " and name "HG1 "))
   (( segid "RPB1" and resid "34  " and name "HG  "))
 ASSI {  376}
   (( segid "RPB1" and resid "25  " and name "HB1 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB3 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB2 "))
   (( segid "RPB1" and resid "24  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG12"))
      2.300     2.300     2.200 peak   376 weight  0.10000E+01 volume  0.15121E+08 ppm1      1.502 ppm2      0.737
 OR {  376}
   (( segid "RPB1" and resid "25  " and name "HB1 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB3 ")
     OR 
    ( segid "RPB1" and resid "25  " and name "HB2 "))
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
 ASSI {  380}
   (( segid "RPB1" and resid "49  " and name "HG12"))
   (( segid "RPB1" and resid "49  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "49  " and name "HD12"))
      2.100     0.600     0.600 peak   380 weight  0.10000E+01 volume  0.28944E+08 ppm1      1.590 ppm2      0.687
 OR {  380}
   (( segid "RPB1" and resid "2   " and name "HB  "))
   (( segid "RPB1" and resid "2   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG22"))
 OR {  380}
   (( segid "RPB1" and resid "2   " and name "HG12"))
   (( segid "RPB1" and resid "2   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "2   " and name "HG22"))
 ASSI {  389}
   (( segid "RPB1" and resid "31  " and name "HG1 "))
   (( segid "RPB1" and resid "34  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "34  " and name "HD22"))
      2.200     2.200     2.300 peak   389 weight  0.10000E+01 volume  0.21404E+08 ppm1      1.379 ppm2      0.610
 OR {  389}
   (( segid "RPB1" and resid "48  " and name "HG  "))
   (( segid "RPB1" and resid "13  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG22"))
 ASSI {  407}
   (( segid "RPB1" and resid "33  " and name "HB  "))
   (( segid "RPB1" and resid "24  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG22"))
      2.400     2.400     2.100 peak   407 weight  0.10000E+01 volume  0.12123E+08 ppm1      2.028 ppm2      0.400
 OR {  407}
   (( segid "RPB1" and resid "1   " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE2 "))
   (( segid "RPB1" and resid "48  " and name "HD21")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD23")
     OR 
    ( segid "RPB1" and resid "48  " and name "HD22"))
 ASSI {  418}
   (( segid "RPB1" and resid "11  " and name "HB1 "))
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
      2.100     2.100     2.400 peak   418 weight  0.10000E+01 volume  0.24795E+08 ppm1      1.897 ppm2      0.923
 OR {  418}
   (( segid "RPB1" and resid "34  " and name "HB2 "))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
 OR {  418}
   (( segid "RPB1" and resid "11  " and name "HB2 "))
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
 OR {  418}
   (( segid "RPB1" and resid "34  " and name "HB2 "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
 ASSI {  455}
   (( segid "RPB1" and resid "7   " and name "HB1 "))
   (( segid "RPB1" and resid "6   " and name "HA  "))
      2.400     2.400     2.100 peak   455 weight  0.10000E+01 volume  0.13327E+08 ppm1      1.648 ppm2      4.140
 OR {  455}
   (( segid "RPB1" and resid "7   " and name "HB1 "))
   (( segid "RPB1" and resid "2   " and name "HA  "))
 ASSI {  461}
   (( segid "RPB1" and resid "7   " and name "HG  "))
   (( segid "RPB1" and resid "2   " and name "HA  "))
      2.200     2.200     2.300 peak   461 weight  0.10000E+01 volume  0.18297E+08 ppm1      1.752 ppm2      4.135
 OR {  461}
   (( segid "RPB1" and resid "7   " and name "HB2 "))
   (( segid "RPB1" and resid "6   " and name "HA  "))
 OR {  461}
   (( segid "RPB1" and resid "7   " and name "HB2 "))
   (( segid "RPB1" and resid "2   " and name "HA  "))
 OR {  461}
   (( segid "RPB1" and resid "7   " and name "HG  "))
   (( segid "RPB1" and resid "6   " and name "HA  "))
 ASSI {  471}
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
   (( segid "RPB1" and resid "7   " and name "HA  "))
      2.400     0.700     0.700 peak   471 weight  0.10000E+01 volume  0.11266E+08 ppm1      0.937 ppm2      4.092
 OR {  471}
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
   (( segid "RPB1" and resid "7   " and name "HA  "))
 OR {  471}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "17  " and name "HA  "))
 OR {  471}
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
   (( segid "RPB1" and resid "19  " and name "HA  "))
 ASSI {  484}
   (( segid "RPB1" and resid "31  " and name "HB2 "))
   (( segid "RPB1" and resid "30  " and name "HD2 "))
      2.500     2.500     2.000 peak   484 weight  0.10000E+01 volume  0.10542E+08 ppm1      1.768 ppm2      4.040
 OR {  484}
   (( segid "RPB1" and resid "46  " and name "HB1 "))
   (( segid "RPB1" and resid "43  " and name "HA  "))
 ASSI {  499}
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
   (( segid "RPB1" and resid "20  " and name "HA  "))
      2.000     0.500     0.500 peak   499 weight  0.10000E+01 volume  0.31934E+08 ppm1      0.954 ppm2      3.961
 OR {  499}
   (( segid "RPB1" and resid "4   " and name "HG21")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG23")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG22"))
   (( segid "RPB1" and resid "4   " and name "HA  "))
 ASSI {  500}
   (( segid "RPB1" and resid "4   " and name "HG11")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG13")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG12"))
   (( segid "RPB1" and resid "4   " and name "HA  "))
      2.600     0.800     0.800 peak   500 weight  0.10000E+01 volume  0.78664E+07 ppm1      0.860 ppm2      3.963
 OR {  500}
   (( segid "RPB1" and resid "23  " and name "HB2 "))
   (( segid "RPB1" and resid "23  " and name "HA  "))
 ASSI {  502}
   (( segid "RPB1" and resid "23  " and name "HB1 "))
   (( segid "RPB1" and resid "20  " and name "HA  "))
      2.600     0.800     0.800 peak   502 weight  0.10000E+01 volume  0.74040E+07 ppm1      1.845 ppm2      3.945
 OR {  502}
   (( segid "RPB1" and resid "4   " and name "HB  "))
   (( segid "RPB1" and resid "4   " and name "HA  "))
 ASSI {  504}
   (( segid "RPB1" and resid "45  " and name "HB2 "))
   (( segid "RPB1" and resid "42  " and name "HA  "))
      2.400     0.700     0.700 peak   504 weight  0.10000E+01 volume  0.12049E+08 ppm1      1.621 ppm2      3.936
 OR {  504}
   (( segid "RPB1" and resid "22  " and name "HG1 "))
   (( segid "RPB1" and resid "22  " and name "HA  "))
 ASSI {  508}
   (( segid "RPB1" and resid "21  " and name "HB2 "))
   (( segid "RPB1" and resid "22  " and name "HA  "))
      2.200     2.200     2.300 peak   508 weight  0.10000E+01 volume  0.21995E+08 ppm1      1.914 ppm2      3.913
 OR {  508}
   (( segid "RPB1" and resid "21  " and name "HB1 "))
   (( segid "RPB1" and resid "22  " and name "HA  "))
 OR {  508}
   (( segid "RPB1" and resid "11  " and name "HB2 "))
   (( segid "RPB1" and resid "8   " and name "HB1 "))
 ASSI {  509}
   (( segid "RPB1" and resid "21  " and name "HG1 "))
   (( segid "RPB1" and resid "22  " and name "HA  "))
      2.700     0.900     0.900 peak   509 weight  0.10000E+01 volume  0.65500E+07 ppm1      2.162 ppm2      3.907
 OR {  509}
   (( segid "RPB1" and resid "47  " and name "HB1 "))
   (( segid "RPB1" and resid "48  " and name "HA  "))
 ASSI {  519}
   (( segid "RPB1" and resid "1   " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "1   " and name "HE2 "))
   (( segid "RPB1" and resid "2   " and name "HA  "))
      2.700     2.700     1.800 peak   519 weight  0.10000E+01 volume  0.62110E+07 ppm1      2.034 ppm2      4.129
 OR {  519}
   (( segid "RPB1" and resid "23  " and name "HG1 "))
   (( segid "RPB1" and resid "28  " and name "HA  "))
 ASSI {  553}
   (( segid "RPB1" and resid "47  " and name "HA  "))
   (( segid "RPB1" and resid "47  " and name "HE1 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE3 ")
     OR 
    ( segid "RPB1" and resid "47  " and name "HE2 "))
      2.100     2.100     2.400 peak   553 weight  0.10000E+01 volume  0.24143E+08 ppm1      4.202 ppm2      1.961
 OR {  553}
   (( segid "RPB1" and resid "37  " and name "HA  "))
   (( segid "RPB1" and resid "19  " and name "HB2 "))
 ASSI {  558}
   (( segid "RPB1" and resid "2   " and name "HA  "))
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
      2.200     2.200     2.300 peak   558 weight  0.10000E+01 volume  0.19216E+08 ppm1      4.115 ppm2      0.925
 OR {  558}
   (( segid "RPB1" and resid "19  " and name "HA  "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
 ASSI {  563}
   (( segid "RPB1" and resid "53  " and name "HA  "))
   (( segid "RPB1" and resid "53  " and name "HG1 "))
      2.300     0.700     0.700 peak   563 weight  0.10000E+01 volume  0.15824E+08 ppm1      4.216 ppm2      2.167
 OR {  563}
   (( segid "RPB1" and resid "47  " and name "HA  "))
   (( segid "RPB1" and resid "47  " and name "HB1 "))
 ASSI {  572}
   (( segid "RPB1" and resid "20  " and name "HB1 "))
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
      2.300     0.700     0.700 peak   572 weight  0.10000E+01 volume  0.14159E+08 ppm1      3.087 ppm2      0.944
 OR {  572}
   (( segid "RPB1" and resid "20  " and name "HB1 "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
 ASSI {  574}
   (( segid "RPB1" and resid "36  " and name "HB2 "))
   (( segid "RPB1" and resid "33  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG12"))
      2.200     2.200     2.300 peak   574 weight  0.10000E+01 volume  0.21958E+08 ppm1      2.774 ppm2      0.942
 OR {  574}
   (( segid "RPB1" and resid "16  " and name "HB2 "))
   (( segid "RPB1" and resid "13  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "13  " and name "HG12"))
 ASSI {  587}
   (( segid "RPB1" and resid "5   " and name "HA  "))
   (( segid "RPB1" and resid "5   " and name "HD2 "))
      2.400     0.700     0.700 peak   587 weight  0.10000E+01 volume  0.13577E+08 ppm1      4.922 ppm2      3.113
 OR {  587}
   (( segid "RPB1" and resid "9   " and name "HA  "))
   (( segid "RPB1" and resid "9   " and name "HB1 "))
 ASSI {  612}
   (( segid "RPB1" and resid "9   " and name "HB1 "))
   (( segid "RPB1" and resid "10  " and name "HA1 "))
      2.300     2.300     2.200 peak   612 weight  0.10000E+01 volume  0.13905E+08 ppm1      3.094 ppm2      4.189
 OR {  612}
   (( segid "RPB1" and resid "51  " and name "HB1 "))
   (( segid "RPB1" and resid "47  " and name "HA  "))
 ASSI {  635}
   (( segid "RPB1" and resid "30  " and name "HG2 "))
   (( segid "RPB1" and resid "24  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "24  " and name "HG12"))
      2.400     2.400     2.100 peak   635 weight  0.10000E+01 volume  0.13123E+08 ppm1      2.156 ppm2      0.772
 OR {  635}
   (( segid "RPB1" and resid "19  " and name "HB1 "))
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
 ASSI {  640}
   (( segid "RPB1" and resid "23  " and name "HB1 "))
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
      2.000     0.500     0.500 peak   640 weight  0.10000E+01 volume  0.32595E+08 ppm1      1.873 ppm2      0.768
 OR {  640}
   (( segid "RPB1" and resid "34  " and name "HB2 "))
   (( segid "RPB1" and resid "34  " and name "HG  "))
 ASSI {  642}
   (( segid "RPB1" and resid "49  " and name "HG12"))
   (( segid "RPB1" and resid "49  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG22"))
      2.300     0.700     0.700 peak   642 weight  0.10000E+01 volume  0.17270E+08 ppm1      1.592 ppm2      0.836
 OR {  642}
   (( segid "RPB1" and resid "45  " and name "HB2 "))
   (( segid "RPB1" and resid "49  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "49  " and name "HG22"))
 ASSI {  659}
   (( segid "RPB1" and resid "23  " and name "HB2 "))
   (( segid "RPB1" and resid "23  " and name "HB1 "))
      2.400     0.700     0.700 peak   659 weight  0.10000E+01 volume  0.13413E+08 ppm1      0.861 ppm2      1.855
 OR {  659}
   (( segid "RPB1" and resid "4   " and name "HG11")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG13")
     OR 
    ( segid "RPB1" and resid "4   " and name "HG12"))
   (( segid "RPB1" and resid "4   " and name "HB  "))
 ASSI {  661}
   (( segid "RPB1" and resid "2   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD12"))
   (( segid "RPB1" and resid "53  " and name "HB1 "))
      2.100     2.100     2.400 peak   661 weight  0.10000E+01 volume  0.25331E+08 ppm1      0.766 ppm2      1.921
 OR {  661}
   (( segid "RPB1" and resid "52  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG12"))
   (( segid "RPB1" and resid "53  " and name "HB1 "))
 OR {  661}
   (( segid "RPB1" and resid "52  " and name "HG11")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG13")
     OR 
    ( segid "RPB1" and resid "52  " and name "HG12"))
   (( segid "RPB1" and resid "53  " and name "HB2 "))
 OR {  661}
   (( segid "RPB1" and resid "2   " and name "HD11")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD13")
     OR 
    ( segid "RPB1" and resid "2   " and name "HD12"))
   (( segid "RPB1" and resid "53  " and name "HB2 "))
 OR {  661}
   (( segid "RPB1" and resid "33  " and name "HG21")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG23")
     OR 
    ( segid "RPB1" and resid "33  " and name "HG22"))
   (( segid "RPB1" and resid "19  " and name "HB2 "))
 ASSI {  670}
   (( segid "RPB1" and resid "17  " and name "HA  "))
   (( segid "RPB1" and resid "20  " and name "HB1 "))
      2.000     0.500     0.500 peak   670 weight  0.10000E+01 volume  0.34538E+08 ppm1      4.091 ppm2      3.075
 OR {  670}
   (( segid "RPB1" and resid "-1  " and name "HA  "))
   (( segid "RPB1" and resid "-1  " and name "HB1 "))
 OR {  670}
   (( segid "RPB1" and resid "17  " and name "HA  "))
   (( segid "RPB1" and resid "17  " and name "HB2 "))
 ASSI {  673}
   (( segid "RPB1" and resid "47  " and name "HA  "))
   (( segid "RPB1" and resid "51  " and name "HB2 "))
      2.200     2.200     2.300 peak   673 weight  0.10000E+01 volume  0.19495E+08 ppm1      4.194 ppm2      3.170
 OR {  673}
   (( segid "RPB1" and resid "53  " and name "HA  "))
   (( segid "RPB1" and resid "51  " and name "HB2 "))
 ASSI {  679}
   (( segid "RPB1" and resid "50  " and name "HA  "))
   (( segid "RPB1" and resid "49  " and name "HG12"))
      2.400     2.400     2.100 peak   679 weight  0.10000E+01 volume  0.10914E+08 ppm1      4.287 ppm2      1.579
 OR {  679}
   (( segid "RPB1" and resid "3   " and name "HA  "))
   (( segid "RPB1" and resid "2   " and name "HB  "))
 ASSI {  686}
   (( segid "RPB1" and resid "37  " and name "HD11")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD13")
     OR 
    ( segid "RPB1" and resid "37  " and name "HD12"))
   (( segid "RPB1" and resid "37  " and name "HB2 "))
      2.100     0.600     0.600 peak   686 weight  0.10000E+01 volume  0.28568E+08 ppm1      0.945 ppm2      1.783
 OR {  686}
   (( segid "RPB1" and resid "7   " and name "HD21")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD23")
     OR 
    ( segid "RPB1" and resid "7   " and name "HD22"))
   (( segid "RPB1" and resid "7   " and name "HB2 "))
 ASSI {   52}
   (( segid "RPB1" and resid "44  " and name "HB2 "))
   (( segid "RPB1" and resid "42  " and name "HA  "))
      2.900     2.900     1.600 peak    52 weight  0.10000E+01 volume  0.27564E+07 ppm1      3.954 ppm2      2.720
 OR {   52}
   (( segid "RPB1" and resid "43  " and name "HB2 "))
   (( segid "RPB1" and resid "42  " and name "HA  "))
!
!Dihedral restraints
!
!(dihedral.tbl)
!
assign ( resid 2 and name N ) ( resid 2 and name CA )
       ( resid 2 and name CB ) ( resid 2 and name CG1 ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 4 and name N ) ( resid 4 and name CA )
       ( resid 4 and name CB ) ( resid 4 and name CG1 ) 1.000 180.000 30.000 2 !CHI1
assign ( resid 7 and name N ) ( resid 7 and name CA )
       ( resid 7 and name CB ) ( resid 7 and name CG ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 13 and name N ) ( resid 13 and name CA )
       ( resid 13 and name CB ) ( resid 13 and name CG1 ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 14 and name N ) ( resid 14 and name CA )
       ( resid 14 and name CB ) ( resid 14 and name OG ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 16 and name N ) ( resid 16 and name CA )
       ( resid 16 and name CB ) ( resid 16 and name CG ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 17 and name N ) ( resid 17 and name CA )
       ( resid 17 and name CB ) ( resid 17 and name CG ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 24 and name N ) ( resid 24 and name CA )
       ( resid 24 and name CB ) ( resid 24 and name CG1 ) 1.000 180.000 30.000 2 !CHI1
assign ( resid 28 and name N ) ( resid 28 and name CA )
       ( resid 28 and name CB ) ( resid 28 and name CG ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 33 and name N ) ( resid 33 and name CA )
       ( resid 33 and name CB ) ( resid 33 and name CG1 ) 1.000 180.000 30.000 2 !CHI1
assign ( resid 34 and name N ) ( resid 34 and name CA )
       ( resid 34 and name CB ) ( resid 34 and name CG ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 37 and name N ) ( resid 37 and name CA )
       ( resid 37 and name CB ) ( resid 37 and name CG ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 41 and name N ) ( resid 41 and name CA )
       ( resid 41 and name CB ) ( resid 41 and name CG ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 45 and name N ) ( resid 45 and name CA )
       ( resid 45 and name CB ) ( resid 45 and name CG ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 54 and name N ) ( resid 54 and name CA )
       ( resid 54 and name CB ) ( resid 54 and name CG2 ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 15 and name C ) ( resid 16 and name N )
       ( resid 16 and name CA ) ( resid 16 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 16 and name C ) ( resid 17 and name N )
       ( resid 17 and name CA ) ( resid 17 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 17 and name C ) ( resid 18 and name N )
       ( resid 18 and name CA ) ( resid 18 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 18 and name C ) ( resid 19 and name N )
       ( resid 19 and name CA ) ( resid 19 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 19 and name C ) ( resid 20 and name N )
       ( resid 20 and name CA ) ( resid 20 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 20 and name C ) ( resid 21 and name N )
       ( resid 21 and name CA ) ( resid 21 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 21 and name C ) ( resid 22 and name N )
       ( resid 22 and name CA ) ( resid 22 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 22 and name C ) ( resid 23 and name N )
       ( resid 23 and name CA ) ( resid 23 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 23 and name C ) ( resid 24 and name N )
       ( resid 24 and name CA ) ( resid 24 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 24 and name C ) ( resid 25 and name N )
       ( resid 25 and name CA ) ( resid 25 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 25 and name C ) ( resid 26 and name N )
       ( resid 26 and name CA ) ( resid 26 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 30 and name C ) ( resid 31 and name N )
       ( resid 31 and name CA ) ( resid 31 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 31 and name C ) ( resid 32 and name N )
       ( resid 32 and name CA ) ( resid 32 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 32 and name C ) ( resid 33 and name N )
       ( resid 33 and name CA ) ( resid 33 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 33 and name C ) ( resid 34 and name N )
       ( resid 34 and name CA ) ( resid 34 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 34 and name C ) ( resid 35 and name N )
       ( resid 35 and name CA ) ( resid 35 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 35 and name C ) ( resid 36 and name N )
       ( resid 36 and name CA ) ( resid 36 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 42 and name C ) ( resid 43 and name N )
       ( resid 43 and name CA ) ( resid 43 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 43 and name C ) ( resid 44 and name N )
       ( resid 44 and name CA ) ( resid 44 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 44 and name C ) ( resid 45 and name N )
       ( resid 45 and name CA ) ( resid 45 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 45 and name C ) ( resid 46 and name N )
       ( resid 46 and name CA ) ( resid 46 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 46 and name C ) ( resid 47 and name N )
       ( resid 47 and name CA ) ( resid 47 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 47 and name C ) ( resid 48 and name N )
       ( resid 48 and name CA ) ( resid 48 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 48 and name C ) ( resid 49 and name N )
       ( resid 49 and name CA ) ( resid 49 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 49 and name C ) ( resid 50 and name N )
       ( resid 50 and name CA ) ( resid 50 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 50 and name C ) ( resid 51 and name N )
       ( resid 51 and name CA ) ( resid 51 and name C ) 1.000 -57.000 30.000 2 !PHI
assign ( resid 16 and name N ) ( resid 16 and name CA )
       ( resid 16 and name C ) ( resid 17 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 17 and name N ) ( resid 17 and name CA )
       ( resid 17 and name C ) ( resid 18 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 18 and name N ) ( resid 18 and name CA )
       ( resid 18 and name C ) ( resid 19 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 19 and name N ) ( resid 19 and name CA )
       ( resid 19 and name C ) ( resid 20 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 20 and name N ) ( resid 20 and name CA )
       ( resid 20 and name C ) ( resid 21 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 21 and name N ) ( resid 21 and name CA )
       ( resid 21 and name C ) ( resid 22 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 22 and name N ) ( resid 22 and name CA )
       ( resid 22 and name C ) ( resid 23 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 23 and name N ) ( resid 23 and name CA )
       ( resid 23 and name C ) ( resid 24 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 24 and name N ) ( resid 24 and name CA )
       ( resid 24 and name C ) ( resid 25 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 25 and name N ) ( resid 25 and name CA )
       ( resid 25 and name C ) ( resid 26 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 26 and name N ) ( resid 26 and name CA )
       ( resid 26 and name C ) ( resid 27 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 31 and name N ) ( resid 31 and name CA )
       ( resid 31 and name C ) ( resid 32 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 32 and name N ) ( resid 32 and name CA )
       ( resid 32 and name C ) ( resid 33 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 33 and name N ) ( resid 33 and name CA )
       ( resid 33 and name C ) ( resid 34 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 34 and name N ) ( resid 34 and name CA )
       ( resid 34 and name C ) ( resid 35 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 35 and name N ) ( resid 35 and name CA )
       ( resid 35 and name C ) ( resid 36 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 36 and name N ) ( resid 36 and name CA )
       ( resid 36 and name C ) ( resid 37 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 43 and name N ) ( resid 43 and name CA )
       ( resid 43 and name C ) ( resid 44 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 44 and name N ) ( resid 44 and name CA )
       ( resid 44 and name C ) ( resid 45 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 45 and name N ) ( resid 45 and name CA )
       ( resid 45 and name C ) ( resid 46 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 46 and name N ) ( resid 46 and name CA )
       ( resid 46 and name C ) ( resid 47 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 47 and name N ) ( resid 47 and name CA )
       ( resid 47 and name C ) ( resid 48 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 48 and name N ) ( resid 48 and name CA )
       ( resid 48 and name C ) ( resid 49 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 49 and name N ) ( resid 49 and name CA )
       ( resid 49 and name C ) ( resid 50 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 50 and name N ) ( resid 50 and name CA )
       ( resid 50 and name C ) ( resid 51 and name N ) 1.000 -47.000 30.000 2 !PSI
assign ( resid 51 and name N ) ( resid 51 and name CA )
       ( resid 51 and name C ) ( resid 52 and name N ) 1.000 -47.000 30.000 2 !PSI
!
! All thus residu have HN-HN noe and their amide proton is
! slowly exchange in D2O.
!
!(hbonds.tbl)
!
assign ( resid 30 and name O ) ( resid 34 and name HN ) 1.8 0.3 0.7
assign ( resid 30 and name O ) ( resid 34 and name N ) 2.8 0.3 0.7
assign ( resid 20 and name O ) ( resid 24 and name HN ) 1.8 0.3 0.7
assign ( resid 20 and name O ) ( resid 24 and name N ) 2.8 0.3 0.7
assign ( resid 45 and name O ) ( resid 49 and name HN ) 1.8 0.3 0.7
assign ( resid 45 and name O ) ( resid 49 and name N ) 2.8 0.3 0.7
assign ( resid 16 and name O ) ( resid 20 and name HN ) 1.8 0.3 0.7
assign ( resid 16 and name O ) ( resid 20 and name N ) 2.8 0.3 0.7
assign ( resid 19 and name O ) ( resid 23 and name HN ) 1.8 0.3 0.7
assign ( resid 19 and name O ) ( resid 23 and name N ) 2.8 0.3 0.7
assign ( resid 21 and name O ) ( resid 25 and name HN ) 1.8 0.3 0.7
assign ( resid 21 and name O ) ( resid 25 and name N ) 2.8 0.3 0.7
assign ( resid 22 and name O ) ( resid 26 and name HN ) 1.8 0.3 0.7
assign ( resid 22 and name O ) ( resid 26 and name N ) 2.8 0.3 0.7
assign ( resid 18 and name O ) ( resid 22 and name HN ) 1.8 0.3 0.7
assign ( resid 18 and name O ) ( resid 22 and name N ) 2.8 0.3 0.7
assign ( resid 17 and name O ) ( resid 21 and name HN ) 1.8 0.3 0.7
assign ( resid 17 and name O ) ( resid 21 and name N ) 2.8 0.3 0.7
assign ( resid 31 and name O ) ( resid 35 and name HN ) 1.8 0.3 0.7
assign ( resid 31 and name O ) ( resid 35 and name N ) 2.8 0.3 0.7
assign ( resid 32 and name O ) ( resid 36 and name HN ) 1.8 0.3 0.7
assign ( resid 32 and name O ) ( resid 36 and name N ) 2.8 0.3 0.7
!
! These are the restraints that force the Cys sulphur atoms into
! a tetrahedral coordination with distances of 3.6-4.0
! Also included are restraints to the central zinc atom 2.25-2.45
!
!(ssbond.tbl)
!
assign (resid  6 and name sg) (resid  9 and name sg)  3.8 0.2 0.2
assign (resid  6 and name sg) (resid 43 and name sg)  3.8 0.2 0.2
assign (resid  6 and name sg) (resid 44 and name sg)  3.8 0.2 0.2
assign (resid  9 and name sg) (resid 43 and name sg)  3.8 0.2 0.2
assign (resid  9 and name sg) (resid 44 and name sg)  3.8 0.2 0.2
assign (resid 43 and name sg) (resid 44 and name sg)  3.8 0.2 0.2
assign (resid  6 and name sg) (resid 56 and name zn)  2.35 0.1 0.1
assign (resid  9 and name sg) (resid 56 and name zn)  2.35 0.1 0.1
assign (resid 43 and name sg) (resid 56 and name zn)  2.35 0.1 0.1
assign (resid 44 and name sg) (resid 56 and name zn)  2.35 0.1 0.1




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H        MET   1  -7.276   5.319  -0.009
    2    HA   MET   1           HA       MET   1  -5.839   3.459   1.577
    3   1HB   MET   1          1HB       MET   1  -4.185   5.276   1.834
    4   2HB   MET   1          2HB       MET   1  -4.664   5.042   0.159
    5   1HG   MET   1          1HG       MET   1  -4.696   7.320   0.317
    6   2HG   MET   1          2HG       MET   1  -6.377   6.935   0.679
    7   1HE   MET   1          1HE       MET   1  -2.980   7.073   2.099
    8   2HE   MET   1          2HE       MET   1  -3.393   6.727   3.779
    9   3HE   MET   1          3HE       MET   1  -3.036   8.380   3.280
   10    H    ILE   2           H        ILE   2  -5.439   3.386   3.737
   11    HA   ILE   2           HA       ILE   2  -7.411   4.295   5.516
   12    HB   ILE   2           HB       ILE   2  -4.645   3.184   5.953
   13   1HG1  ILE   2          1HG1      ILE   2  -5.940   1.239   6.813
   14   2HG1  ILE   2          2HG1      ILE   2  -7.428   2.082   6.397
   15   1HG2  ILE   2          1HG2      ILE   2  -5.206   4.701   7.837
   16   2HG2  ILE   2          2HG2      ILE   2  -5.050   3.011   8.314
   17   3HG2  ILE   2          3HG2      ILE   2  -6.649   3.732   8.137
   18   1HD1  ILE   2          1HD1      ILE   2  -6.642   0.339   4.768
   19   2HD1  ILE   2          2HD1      ILE   2  -5.315   1.431   4.371
   20   3HD1  ILE   2          3HD1      ILE   2  -6.982   1.932   4.090
   21    HA   PRO   3           HA       PRO   3  -5.952   8.460   6.208
   22   1HB   PRO   3          1HB       PRO   3  -7.577   9.162   8.185
   23   2HB   PRO   3          2HB       PRO   3  -8.251   8.786   6.591
   24   1HG   PRO   3          1HG       PRO   3  -8.017   7.006   9.010
   25   2HG   PRO   3          2HG       PRO   3  -9.455   7.328   8.012
   26   1HD   PRO   3          1HD       PRO   3  -7.887   5.139   7.649
   27   2HD   PRO   3          2HD       PRO   3  -8.732   5.937   6.306
   28    H    VAL   4           H        VAL   4  -5.298   9.801   8.240
   29    HA   VAL   4           HA       VAL   4  -3.968  10.057  10.071
   30    HB   VAL   4           HB       VAL   4  -5.472   7.552  10.621
   31   1HG1  VAL   4          1HG1      VAL   4  -3.550   6.673  11.576
   32   2HG1  VAL   4          2HG1      VAL   4  -4.301   7.509  12.938
   33   3HG1  VAL   4          3HG1      VAL   4  -2.953   8.257  12.081
   34   1HG2  VAL   4          1HG2      VAL   4  -5.901  10.155  11.126
   35   2HG2  VAL   4          2HG2      VAL   4  -5.148   9.664  12.643
   36   3HG2  VAL   4          3HG2      VAL   4  -6.601   8.842  12.072
   37    H    ARG   5           H        ARG   5  -3.572   6.570   9.639
   38    HA   ARG   5           HA       ARG   5  -0.850   6.470  10.045
   39   1HB   ARG   5          1HB       ARG   5  -2.865   4.675   9.498
   40   2HB   ARG   5          2HB       ARG   5  -1.801   4.502   8.103
   41   1HG   ARG   5          1HG       ARG   5  -1.172   2.907   9.778
   42   2HG   ARG   5          2HG       ARG   5   0.091   4.134   9.664
   43   1HD   ARG   5          1HD       ARG   5  -0.108   4.105  11.918
   44   2HD   ARG   5          2HD       ARG   5  -1.410   5.243  11.575
   45    HE   ARG   5           HE       ARG   5  -2.291   2.520  11.594
   46   1HH1  ARG   5          1HH1      ARG   5  -1.568   5.280  13.589
   47   2HH1  ARG   5          2HH1      ARG   5  -2.615   4.787  14.877
   48   1HH2  ARG   5          1HH2      ARG   5  -3.675   1.860  13.284
   49   2HH2  ARG   5          2HH2      ARG   5  -3.815   2.842  14.703
   50    H    CYS   6           H        CYS   6   0.590   5.383   8.191
   51    HA   CYS   6           HA       CYS   6   0.703   7.394   6.058
   52   1HB   CYS   6          1HB       CYS   6   2.659   6.405   7.805
   53   2HB   CYS   6          2HB       CYS   6   3.040   5.698   6.238
   54    H    LEU   7           H        LEU   7  -0.478   6.653   4.407
   55    HA   LEU   7           HA       LEU   7   0.409   4.162   3.157
   56   1HB   LEU   7          1HB       LEU   7  -2.450   5.065   3.440
   57   2HB   LEU   7          2HB       LEU   7  -1.931   3.710   2.467
   58    HG   LEU   7           HG       LEU   7  -2.706   2.621   4.324
   59   1HD1  LEU   7          1HD1      LEU   7  -0.936   1.525   5.111
   60   2HD1  LEU   7          2HD1      LEU   7  -0.217   2.981   5.792
   61   3HD1  LEU   7          3HD1      LEU   7   0.017   2.593   4.091
   62   1HD2  LEU   7          1HD2      LEU   7  -2.606   3.459   6.596
   63   2HD2  LEU   7          2HD2      LEU   7  -3.314   4.661   5.518
   64   3HD2  LEU   7          3HD2      LEU   7  -1.647   4.840   6.062
   65    H    SER   8           H        SER   8   1.381   6.601   2.543
   66    HA   SER   8           HA       SER   8   0.939   6.853  -0.199
   67   1HB   SER   8          1HB       SER   8  -0.825   8.491   1.516
   68   2HB   SER   8          2HB       SER   8  -0.015   9.368   0.217
   69    HG   SER   8           HG       SER   8  -1.929   8.561  -0.584
   70    H    CYS   9           H        CYS   9   1.545   8.997   2.585
   71    HA   CYS   9           HA       CYS   9   3.331  10.277   3.158
   72   1HB   CYS   9          1HB       CYS   9   4.424   7.962   1.990
   73   2HB   CYS   9          2HB       CYS   9   5.316   9.313   1.298
   74    H    GLY  10           H        GLY  10   1.656  10.739   0.565
   75   1HA   GLY  10          1HA       GLY  10   2.024  13.213  -0.114
   76   2HA   GLY  10          2HA       GLY  10   3.516  12.571  -0.787
   77    H    LYS  11           H        LYS  11   2.287  10.054  -1.602
   78    HA   LYS  11           HA       LYS  11   0.678  11.054  -3.854
   79   1HB   LYS  11          1HB       LYS  11   3.057   9.351  -3.756
   80   2HB   LYS  11          2HB       LYS  11   1.761   8.690  -4.746
   81   1HG   LYS  11          1HG       LYS  11   3.295  10.016  -6.081
   82   2HG   LYS  11          2HG       LYS  11   1.696  10.768  -6.036
   83   1HD   LYS  11          1HD       LYS  11   3.092  11.801  -3.844
   84   2HD   LYS  11          2HD       LYS  11   4.234  11.824  -5.187
   85   1HE   LYS  11          1HE       LYS  11   2.048  12.774  -6.427
   86   2HE   LYS  11          2HE       LYS  11   1.733  13.345  -4.790
   87   1HZ   LYS  11          1HZ       LYS  11   3.204  14.681  -6.550
   88   2HZ   LYS  11          2HZ       LYS  11   4.423  13.788  -5.790
   89   3HZ   LYS  11          3HZ       LYS  11   3.424  14.804  -4.878
   90    HA   PRO  12           HA       PRO  12  -2.601   8.442  -2.409
   91   1HB   PRO  12          1HB       PRO  12  -3.257   8.148  -5.290
   92   2HB   PRO  12          2HB       PRO  12  -4.273   8.702  -3.955
   93   1HG   PRO  12          1HG       PRO  12  -3.305  10.424  -5.747
   94   2HG   PRO  12          2HG       PRO  12  -3.422  10.857  -4.031
   95   1HD   PRO  12          1HD       PRO  12  -1.024  10.060  -5.628
   96   2HD   PRO  12          2HD       PRO  12  -1.172  11.278  -4.345
   97    H    VAL  13           H        VAL  13  -2.785   6.310  -2.010
   98    HA   VAL  13           HA       VAL  13  -1.237   4.469  -3.708
   99    HB   VAL  13           HB       VAL  13  -0.916   3.032  -1.836
  100   1HG1  VAL  13          1HG1      VAL  13  -0.441   5.930  -1.200
  101   2HG1  VAL  13          2HG1      VAL  13   0.697   4.747  -1.847
  102   3HG1  VAL  13          3HG1      VAL  13   0.155   4.628  -0.170
  103   1HG2  VAL  13          1HG2      VAL  13  -2.713   4.865  -0.250
  104   2HG2  VAL  13          2HG2      VAL  13  -1.846   3.464   0.378
  105   3HG2  VAL  13          3HG2      VAL  13  -3.132   3.248  -0.812
  106    H    SER  14           H        SER  14  -4.391   5.303  -2.712
  107    HA   SER  14           HA       SER  14  -5.700   2.834  -2.749
  108   1HB   SER  14          1HB       SER  14  -7.077   5.237  -3.877
  109   2HB   SER  14          2HB       SER  14  -7.668   4.040  -2.719
  110    HG   SER  14           HG       SER  14  -5.880   5.075  -1.348
  111    H    ALA  15           H        ALA  15  -5.389   5.208  -5.399
  112    HA   ALA  15           HA       ALA  15  -6.608   3.700  -7.387
  113   1HB   ALA  15          1HB       ALA  15  -5.718   5.204  -8.933
  114   2HB   ALA  15          2HB       ALA  15  -4.273   5.492  -7.963
  115   3HB   ALA  15          3HB       ALA  15  -5.829   6.141  -7.443
  116    H    TYR  16           H        TYR  16  -3.372   3.515  -6.079
  117    HA   TYR  16           HA       TYR  16  -2.464   1.711  -8.151
  118   1HB   TYR  16          1HB       TYR  16  -1.243   3.130  -5.844
  119   2HB   TYR  16          2HB       TYR  16  -0.476   1.636  -6.361
  120    HD1  TYR  16           HD1      TYR  16   0.127   1.441  -8.871
  121    HD2  TYR  16           HD2      TYR  16  -0.766   5.129  -6.944
  122    HE1  TYR  16           HE1      TYR  16   1.276   2.656 -10.674
  123    HE2  TYR  16           HE2      TYR  16   0.380   6.354  -8.742
  124    HH   TYR  16           HH       TYR  16   0.907   5.500 -11.506
  125    H    PHE  17           H        PHE  17  -3.766   1.536  -4.930
  126    HA   PHE  17           HA       PHE  17  -2.883  -0.888  -3.995
  127   1HB   PHE  17          1HB       PHE  17  -5.438   0.610  -3.711
  128   2HB   PHE  17          2HB       PHE  17  -5.431  -1.069  -3.194
  129    HD1  PHE  17           HD1      PHE  17  -2.257   0.568  -2.844
  130    HD2  PHE  17           HD2      PHE  17  -6.027  -0.053  -0.965
  131    HE1  PHE  17           HE1      PHE  17  -1.288   1.238  -0.685
  132    HE2  PHE  17           HE2      PHE  17  -5.063   0.617   1.197
  133    HZ   PHE  17           HZ       PHE  17  -2.692   1.262   1.339
  134    H    ASN  18           H        ASN  18  -5.025  -0.266  -6.656
  135    HA   ASN  18           HA       ASN  18  -6.192  -2.816  -6.915
  136   1HB   ASN  18          1HB       ASN  18  -5.771  -0.473  -8.706
  137   2HB   ASN  18          2HB       ASN  18  -6.152  -2.013  -9.469
  138   1HD2  ASN  18          1HD2      ASN  18  -7.305   0.569  -7.493
  139   2HD2  ASN  18          2HD2      ASN  18  -8.970   0.086  -7.463
  140    H    GLU  19           H        GLU  19  -3.165  -1.444  -8.088
  141    HA   GLU  19           HA       GLU  19  -2.370  -3.574  -9.738
  142   1HB   GLU  19          1HB       GLU  19  -1.348  -1.142  -9.232
  143   2HB   GLU  19          2HB       GLU  19  -0.287  -2.101  -8.210
  144   1HG   GLU  19          1HG       GLU  19   0.846  -1.954 -10.230
  145   2HG   GLU  19          2HG       GLU  19   0.100  -3.550 -10.274
  146    H    TYR  20           H        TYR  20  -1.583  -2.855  -6.349
  147    HA   TYR  20           HA       TYR  20  -0.034  -5.088  -5.778
  148   1HB   TYR  20          1HB       TYR  20  -0.182  -3.317  -4.177
  149   2HB   TYR  20          2HB       TYR  20  -1.927  -3.485  -4.051
  150    HD1  TYR  20           HD1      TYR  20   1.287  -4.665  -2.869
  151    HD2  TYR  20           HD2      TYR  20  -2.895  -5.443  -2.869
  152    HE1  TYR  20           HE1      TYR  20   1.574  -6.172  -0.947
  153    HE2  TYR  20           HE2      TYR  20  -2.620  -6.952  -0.946
  154    HH   TYR  20           HH       TYR  20   0.188  -7.065   0.915
  155    H    GLN  21           H        GLN  21  -3.539  -4.662  -5.503
  156    HA   GLN  21           HA       GLN  21  -4.191  -7.181  -4.509
  157   1HB   GLN  21          1HB       GLN  21  -5.792  -5.332  -4.608
  158   2HB   GLN  21          2HB       GLN  21  -5.791  -5.408  -6.365
  159   1HG   GLN  21          1HG       GLN  21  -7.048  -7.316  -6.426
  160   2HG   GLN  21          2HG       GLN  21  -6.526  -7.844  -4.827
  161   1HE2  GLN  21          1HE2      GLN  21  -7.747  -7.366  -3.105
  162   2HE2  GLN  21          2HE2      GLN  21  -9.181  -6.404  -3.148
  163    H    ARG  22           H        ARG  22  -4.370  -6.102  -7.905
  164    HA   ARG  22           HA       ARG  22  -4.976  -8.529  -9.067
  165   1HB   ARG  22          1HB       ARG  22  -5.026  -6.476 -10.341
  166   2HB   ARG  22          2HB       ARG  22  -3.291  -6.262 -10.144
  167   1HG   ARG  22          1HG       ARG  22  -2.795  -8.031 -11.603
  168   2HG   ARG  22          2HG       ARG  22  -4.450  -8.644 -11.551
  169   1HD   ARG  22          1HD       ARG  22  -5.187  -6.520 -12.639
  170   2HD   ARG  22          2HD       ARG  22  -3.487  -6.093 -12.835
  171    HE   ARG  22           HE       ARG  22  -4.984  -8.026 -14.360
  172   1HH1  ARG  22          1HH1      ARG  22  -1.823  -6.960 -13.360
  173   2HH1  ARG  22          2HH1      ARG  22  -1.009  -7.692 -14.702
  174   1HH2  ARG  22          1HH2      ARG  22  -3.923  -8.994 -16.132
  175   2HH2  ARG  22          2HH2      ARG  22  -2.203  -8.849 -16.279
  176    H    ARG  23           H        ARG  23  -1.732  -7.147  -8.545
  177    HA   ARG  23           HA       ARG  23  -0.289  -9.317  -9.573
  178   1HB   ARG  23          1HB       ARG  23   0.294  -6.934  -7.959
  179   2HB   ARG  23          2HB       ARG  23   1.376  -8.287  -7.645
  180   1HG   ARG  23          1HG       ARG  23   2.447  -7.100  -9.326
  181   2HG   ARG  23          2HG       ARG  23   1.639  -8.405 -10.196
  182   1HD   ARG  23          1HD       ARG  23  -0.303  -6.653 -10.385
  183   2HD   ARG  23          2HD       ARG  23   0.998  -5.495 -10.111
  184    HE   ARG  23           HE       ARG  23   0.527  -7.044 -12.485
  185   1HH1  ARG  23          1HH1      ARG  23   2.905  -5.329 -10.607
  186   2HH1  ARG  23          2HH1      ARG  23   3.952  -5.040 -11.956
  187   1HH2  ARG  23          1HH2      ARG  23   1.896  -6.668 -14.269
  188   2HH2  ARG  23          2HH2      ARG  23   3.378  -5.802 -14.039
  189    H    VAL  24           H        VAL  24  -0.663  -8.478  -6.122
  190    HA   VAL  24           HA       VAL  24   0.347 -10.780  -5.022
  191    HB   VAL  24           HB       VAL  24  -2.003  -9.211  -3.952
  192   1HG1  VAL  24          1HG1      VAL  24  -0.472 -10.146  -1.840
  193   2HG1  VAL  24          2HG1      VAL  24  -0.547 -11.509  -2.956
  194   3HG1  VAL  24          3HG1      VAL  24  -2.035 -10.772  -2.363
  195   1HG2  VAL  24          1HG2      VAL  24   0.455  -8.615  -2.646
  196   2HG2  VAL  24          2HG2      VAL  24  -0.600  -7.537  -3.560
  197   3HG2  VAL  24          3HG2      VAL  24   0.682  -8.423  -4.384
  198    H    ALA  25           H        ALA  25  -2.774 -10.284  -6.504
  199    HA   ALA  25           HA       ALA  25  -4.096 -12.563  -5.509
  200   1HB   ALA  25          1HB       ALA  25  -4.484 -11.043  -8.082
  201   2HB   ALA  25          2HB       ALA  25  -5.350 -10.811  -6.563
  202   3HB   ALA  25          3HB       ALA  25  -5.574 -12.296  -7.488
  203    H    ASP  26           H        ASP  26  -2.499 -12.069  -8.662
  204    HA   ASP  26           HA       ASP  26  -2.673 -14.781  -9.445
  205   1HB   ASP  26          1HB       ASP  26  -1.248 -12.357 -10.422
  206   2HB   ASP  26          2HB       ASP  26  -0.639 -13.919 -10.960
  207    H    GLY  27           H        GLY  27  -0.359 -12.975  -7.564
  208   1HA   GLY  27          1HA       GLY  27   0.929 -14.331  -5.955
  209   2HA   GLY  27          2HA       GLY  27   1.242 -15.443  -7.279
  210    H    GLU  28           H        GLU  28   1.311 -11.982  -7.722
  211    HA   GLU  28           HA       GLU  28   4.092 -12.153  -8.524
  212   1HB   GLU  28          1HB       GLU  28   2.199  -9.792  -8.564
  213   2HB   GLU  28          2HB       GLU  28   3.779  -9.864  -9.331
  214   1HG   GLU  28          1HG       GLU  28   2.508 -12.046 -10.388
  215   2HG   GLU  28          2HG       GLU  28   1.206 -10.866 -10.246
  216    H    ASP  29           H        ASP  29   5.776 -10.961  -7.630
  217    HA   ASP  29           HA       ASP  29   5.848 -10.717  -4.859
  218   1HB   ASP  29          1HB       ASP  29   7.596  -9.966  -7.107
  219   2HB   ASP  29          2HB       ASP  29   7.825  -9.007  -5.647
  220    HA   PRO  30           HA       PRO  30   3.271  -6.991  -4.594
  221   1HB   PRO  30          1HB       PRO  30   4.061  -7.235  -1.749
  222   2HB   PRO  30          2HB       PRO  30   2.456  -7.080  -2.465
  223   1HG   PRO  30          1HG       PRO  30   3.305  -9.414  -1.474
  224   2HG   PRO  30          2HG       PRO  30   2.283  -9.335  -2.921
  225   1HD   PRO  30          1HD       PRO  30   5.218  -9.837  -2.696
  226   2HD   PRO  30          2HD       PRO  30   4.035 -10.538  -3.819
  227    H    LYS  31           H        LYS  31   6.323  -7.409  -2.801
  228    HA   LYS  31           HA       LYS  31   6.951  -4.765  -2.315
  229   1HB   LYS  31          1HB       LYS  31   8.333  -7.265  -2.303
  230   2HB   LYS  31          2HB       LYS  31   9.350  -6.065  -3.085
  231   1HG   LYS  31          1HG       LYS  31   9.519  -4.769  -1.188
  232   2HG   LYS  31          2HG       LYS  31   8.033  -5.416  -0.487
  233   1HD   LYS  31          1HD       LYS  31   9.324  -6.759   0.737
  234   2HD   LYS  31          2HD       LYS  31   9.688  -7.629  -0.755
  235   1HE   LYS  31          1HE       LYS  31  11.238  -5.212   0.139
  236   2HE   LYS  31          2HE       LYS  31  11.674  -6.852   0.615
  237   1HZ   LYS  31          1HZ       LYS  31  11.618  -7.308  -1.899
  238   2HZ   LYS  31          2HZ       LYS  31  12.950  -6.487  -1.257
  239   3HZ   LYS  31          3HZ       LYS  31  11.737  -5.630  -2.065
  240    H    ASP  32           H        ASP  32   7.281  -6.638  -5.265
  241    HA   ASP  32           HA       ASP  32   8.688  -4.669  -6.763
  242   1HB   ASP  32          1HB       ASP  32   7.792  -7.290  -7.207
  243   2HB   ASP  32          2HB       ASP  32   6.919  -6.305  -8.378
  244    H    VAL  33           H        VAL  33   5.306  -5.442  -6.188
  245    HA   VAL  33           HA       VAL  33   4.152  -3.576  -7.953
  246    HB   VAL  33           HB       VAL  33   3.031  -4.518  -5.309
  247   1HG1  VAL  33          1HG1      VAL  33   1.105  -3.492  -5.824
  248   2HG1  VAL  33          2HG1      VAL  33   1.222  -3.917  -7.533
  249   3HG1  VAL  33          3HG1      VAL  33   2.100  -2.520  -6.909
  250   1HG2  VAL  33          1HG2      VAL  33   3.435  -6.491  -6.489
  251   2HG2  VAL  33          2HG2      VAL  33   3.017  -5.757  -8.038
  252   3HG2  VAL  33          3HG2      VAL  33   1.752  -6.108  -6.861
  253    H    LEU  34           H        LEU  34   5.148  -3.367  -4.558
  254    HA   LEU  34           HA       LEU  34   4.259  -0.851  -3.890
  255   1HB   LEU  34          1HB       LEU  34   6.704  -2.397  -3.130
  256   2HB   LEU  34          2HB       LEU  34   6.511  -0.752  -2.571
  257    HG   LEU  34           HG       LEU  34   5.767  -2.583  -0.979
  258   1HD1  LEU  34          1HD1      LEU  34   3.472  -0.777  -1.535
  259   2HD1  LEU  34          2HD1      LEU  34   5.035  -0.062  -1.142
  260   3HD1  LEU  34          3HD1      LEU  34   4.260  -1.166  -0.007
  261   1HD2  LEU  34          1HD2      LEU  34   3.347  -3.267  -1.421
  262   2HD2  LEU  34          2HD2      LEU  34   4.610  -4.104  -2.323
  263   3HD2  LEU  34          3HD2      LEU  34   3.663  -2.834  -3.099
  264    H    ASP  35           H        ASP  35   7.052  -1.765  -5.813
  265    HA   ASP  35           HA       ASP  35   8.186   0.802  -6.051
  266   1HB   ASP  35          1HB       ASP  35   9.085  -1.582  -6.753
  267   2HB   ASP  35          2HB       ASP  35   8.357  -1.165  -8.301
  268    H    ASP  36           H        ASP  36   5.701  -0.923  -7.839
  269    HA   ASP  36           HA       ASP  36   5.362   1.143  -9.815
  270   1HB   ASP  36          1HB       ASP  36   4.382  -1.541  -9.365
  271   2HB   ASP  36          2HB       ASP  36   3.050  -0.460  -9.759
  272    H    LEU  37           H        LEU  37   3.629   0.057  -6.925
  273    HA   LEU  37           HA       LEU  37   1.383   1.610  -6.945
  274   1HB   LEU  37          1HB       LEU  37   3.193   0.709  -4.740
  275   2HB   LEU  37          2HB       LEU  37   1.840   1.756  -4.369
  276    HG   LEU  37           HG       LEU  37   1.143  -0.606  -5.981
  277   1HD1  LEU  37          1HD1      LEU  37   1.115  -1.942  -3.751
  278   2HD1  LEU  37          2HD1      LEU  37   2.413  -0.842  -3.289
  279   3HD1  LEU  37          3HD1      LEU  37   2.592  -1.871  -4.710
  280   1HD2  LEU  37          1HD2      LEU  37  -0.189  -0.184  -3.435
  281   2HD2  LEU  37          2HD2      LEU  37  -0.855  -0.241  -5.066
  282   3HD2  LEU  37          3HD2      LEU  37  -0.177   1.264  -4.445
  283    H    GLY  38           H        GLY  38   4.634   2.575  -5.937
  284   1HA   GLY  38          1HA       GLY  38   5.604   4.666  -6.026
  285   2HA   GLY  38          2HA       GLY  38   4.084   5.319  -6.616
  286    H    LEU  39           H        LEU  39   5.170   3.721  -3.618
  287    HA   LEU  39           HA       LEU  39   3.850   5.883  -2.118
  288   1HB   LEU  39          1HB       LEU  39   4.608   3.313  -0.819
  289   2HB   LEU  39          2HB       LEU  39   3.268   4.387  -0.472
  290    HG   LEU  39           HG       LEU  39   2.452   3.572  -2.853
  291   1HD1  LEU  39          1HD1      LEU  39   4.014   2.118  -3.637
  292   2HD1  LEU  39          2HD1      LEU  39   3.007   0.988  -2.732
  293   3HD1  LEU  39          3HD1      LEU  39   4.503   1.598  -2.024
  294   1HD2  LEU  39          1HD2      LEU  39   0.888   2.348  -1.753
  295   2HD2  LEU  39          2HD2      LEU  39   1.573   3.225  -0.386
  296   3HD2  LEU  39          3HD2      LEU  39   2.071   1.565  -0.709
  297    H    LYS  40           H        LYS  40   5.525   7.333  -1.980
  298    HA   LYS  40           HA       LYS  40   8.199   6.862  -1.570
  299   1HB   LYS  40          1HB       LYS  40   6.403   9.128  -0.764
  300   2HB   LYS  40          2HB       LYS  40   8.099   9.138  -0.303
  301   1HG   LYS  40          1HG       LYS  40   7.008   9.020  -3.107
  302   2HG   LYS  40          2HG       LYS  40   7.778  10.405  -2.329
  303   1HD   LYS  40          1HD       LYS  40   9.626   8.382  -2.006
  304   2HD   LYS  40          2HD       LYS  40   8.975   8.087  -3.620
  305   1HE   LYS  40          1HE       LYS  40  10.027   9.858  -4.472
  306   2HE   LYS  40          2HE       LYS  40   9.500  10.900  -3.151
  307   1HZ   LYS  40          1HZ       LYS  40  11.324  10.183  -1.824
  308   2HZ   LYS  40          2HZ       LYS  40  11.944  10.633  -3.332
  309   3HZ   LYS  40          3HZ       LYS  40  11.765   8.996  -2.945
  310    H    ARG  41           H        ARG  41   9.548   6.626   0.182
  311    HA   ARG  41           HA       ARG  41  10.221   5.958   2.248
  312   1HB   ARG  41          1HB       ARG  41   7.595   7.115   3.199
  313   2HB   ARG  41          2HB       ARG  41   9.006   6.769   4.191
  314   1HG   ARG  41          1HG       ARG  41  10.183   8.419   2.522
  315   2HG   ARG  41          2HG       ARG  41   8.531   8.987   2.271
  316   1HD   ARG  41          1HD       ARG  41   8.278   9.465   4.609
  317   2HD   ARG  41          2HD       ARG  41   9.836   8.724   4.974
  318    HE   ARG  41           HE       ARG  41   9.371  11.373   3.960
  319   1HH1  ARG  41          1HH1      ARG  41  11.658   8.759   4.204
  320   2HH1  ARG  41          2HH1      ARG  41  13.043   9.779   4.003
  321   1HH2  ARG  41          1HH2      ARG  41  11.187  12.727   3.695
  322   2HH2  ARG  41          2HH2      ARG  41  12.776  12.036   3.714
  323    H    TYR  42           H        TYR  42  10.239   4.014   3.200
  324    HA   TYR  42           HA       TYR  42   8.250   2.095   2.488
  325   1HB   TYR  42          1HB       TYR  42   9.632   0.488   3.619
  326   2HB   TYR  42          2HB       TYR  42  10.694   1.590   2.750
  327    HD1  TYR  42           HD1      TYR  42  12.296   2.912   3.898
  328    HD2  TYR  42           HD2      TYR  42   9.391   0.713   6.095
  329    HE1  TYR  42           HE1      TYR  42  13.532   3.366   5.976
  330    HE2  TYR  42           HE2      TYR  42  10.619   1.160   8.178
  331    HH   TYR  42           HH       TYR  42  12.748   1.794   8.962
  332    H    CYS  43           H        CYS  43   8.523   4.309   5.061
  333    HA   CYS  43           HA       CYS  43   7.492   3.039   7.257
  334   1HB   CYS  43          1HB       CYS  43   6.427   5.233   7.832
  335   2HB   CYS  43          2HB       CYS  43   8.123   5.357   7.378
  336    H    CYS  44           H        CYS  44   5.875   3.863   4.292
  337    HA   CYS  44           HA       CYS  44   3.245   3.217   5.349
  338   1HB   CYS  44          1HB       CYS  44   3.757   3.582   2.423
  339   2HB   CYS  44          2HB       CYS  44   2.357   4.064   3.380
  340    H    ARG  45           H        ARG  45   5.292   2.019   2.687
  341    HA   ARG  45           HA       ARG  45   3.910  -0.228   1.990
  342   1HB   ARG  45          1HB       ARG  45   6.904  -0.327   2.246
  343   2HB   ARG  45          2HB       ARG  45   5.885  -1.082   1.032
  344   1HG   ARG  45          1HG       ARG  45   5.302   1.254   0.257
  345   2HG   ARG  45          2HG       ARG  45   6.620   1.814   1.289
  346   1HD   ARG  45          1HD       ARG  45   7.500  -0.390  -0.321
  347   2HD   ARG  45          2HD       ARG  45   6.789   0.857  -1.343
  348    HE   ARG  45           HE       ARG  45   8.513   2.098   0.469
  349   1HH1  ARG  45          1HH1      ARG  45   8.654  -0.098  -2.230
  350   2HH1  ARG  45          2HH1      ARG  45  10.242   0.394  -2.715
  351   1HH2  ARG  45          1HH2      ARG  45  10.604   2.755  -0.161
  352   2HH2  ARG  45          2HH2      ARG  45  11.351   2.018  -1.539
  353    H    ARG  46           H        ARG  46   6.517  -0.162   4.440
  354    HA   ARG  46           HA       ARG  46   6.517  -2.719   5.313
  355   1HB   ARG  46          1HB       ARG  46   7.102  -1.857   7.567
  356   2HB   ARG  46          2HB       ARG  46   7.994  -1.074   6.270
  357   1HG   ARG  46          1HG       ARG  46   7.344   0.892   7.035
  358   2HG   ARG  46          2HG       ARG  46   5.666   0.455   6.703
  359   1HD   ARG  46          1HD       ARG  46   5.274   0.504   8.886
  360   2HD   ARG  46          2HD       ARG  46   6.353  -0.879   9.070
  361    HE   ARG  46           HE       ARG  46   6.922   1.876   9.715
  362   1HH1  ARG  46          1HH1      ARG  46   8.254  -1.269   9.026
  363   2HH1  ARG  46          2HH1      ARG  46   9.755  -0.950   9.828
  364   1HH2  ARG  46          1HH2      ARG  46   8.894   2.304  10.772
  365   2HH2  ARG  46          2HH2      ARG  46  10.120   1.081  10.820
  366    H    MET  47           H        MET  47   4.045  -0.328   5.961
  367    HA   MET  47           HA       MET  47   2.595  -2.105   7.748
  368   1HB   MET  47          1HB       MET  47   1.742   0.570   6.635
  369   2HB   MET  47          2HB       MET  47   1.019  -0.284   7.989
  370   1HG   MET  47          1HG       MET  47   3.268  -0.071   9.136
  371   2HG   MET  47          2HG       MET  47   3.696   1.062   7.856
  372   1HE   MET  47          1HE       MET  47   1.636   2.466   7.035
  373   2HE   MET  47          2HE       MET  47   1.855   3.930   7.990
  374   3HE   MET  47          3HE       MET  47   0.334   3.040   8.077
  375    H    LEU  48           H        LEU  48   2.441  -0.841   4.486
  376    HA   LEU  48           HA       LEU  48  -0.122  -1.885   3.856
  377   1HB   LEU  48          1HB       LEU  48   2.109  -1.141   1.966
  378   2HB   LEU  48          2HB       LEU  48   0.411  -1.307   1.560
  379    HG   LEU  48           HG       LEU  48   1.224   0.665   3.638
  380   1HD1  LEU  48          1HD1      LEU  48   2.316   2.007   2.250
  381   2HD1  LEU  48          2HD1      LEU  48   1.017   1.902   1.063
  382   3HD1  LEU  48          3HD1      LEU  48   2.311   0.705   1.060
  383   1HD2  LEU  48          1HD2      LEU  48  -1.035   0.304   1.713
  384   2HD2  LEU  48          2HD2      LEU  48  -0.702   1.878   2.435
  385   3HD2  LEU  48          3HD2      LEU  48  -1.082   0.499   3.466
  386    H    ILE  49           H        ILE  49   2.998  -2.820   2.396
  387    HA   ILE  49           HA       ILE  49   2.259  -5.084   1.111
  388    HB   ILE  49           HB       ILE  49   4.583  -6.046   1.835
  389   1HG1  ILE  49          1HG1      ILE  49   5.291  -3.213   2.364
  390   2HG1  ILE  49          2HG1      ILE  49   4.509  -4.089   3.680
  391   1HG2  ILE  49          1HG2      ILE  49   3.841  -4.902  -0.327
  392   2HG2  ILE  49          2HG2      ILE  49   5.566  -4.918   0.044
  393   3HG2  ILE  49          3HG2      ILE  49   4.617  -3.458   0.324
  394   1HD1  ILE  49          1HD1      ILE  49   7.219  -4.271   2.677
  395   2HD1  ILE  49          2HD1      ILE  49   6.437  -5.846   2.811
  396   3HD1  ILE  49          3HD1      ILE  49   6.542  -4.791   4.220
  397    H    SER  50           H        SER  50   2.614  -4.743   4.560
  398    HA   SER  50           HA       SER  50   2.268  -7.591   5.027
  399   1HB   SER  50          1HB       SER  50   2.395  -5.322   7.030
  400   2HB   SER  50          2HB       SER  50   2.511  -7.046   7.387
  401    HG   SER  50           HG       SER  50   4.474  -5.404   6.800
  402    H    HIS  51           H        HIS  51   0.594  -4.668   6.208
  403    HA   HIS  51           HA       HIS  51  -1.808  -6.219   6.674
  404   1HB   HIS  51          1HB       HIS  51  -1.021  -4.554   8.327
  405   2HB   HIS  51          2HB       HIS  51  -1.283  -3.276   7.146
  406    HD2  HIS  51           HD2      HIS  51  -4.122  -5.788   7.070
  407    HE1  HIS  51           HE1      HIS  51  -5.327  -2.606   9.589
  408    HE2  HIS  51           HE2      HIS  51  -6.090  -4.685   8.351
  409    H    VAL  52           H        VAL  52  -1.461  -2.981   5.242
  410    HA   VAL  52           HA       VAL  52  -2.879  -1.896   3.793
  411    HB   VAL  52           HB       VAL  52  -1.039  -2.795   2.409
  412   1HG1  VAL  52          1HG1      VAL  52  -1.151  -4.757   1.206
  413   2HG1  VAL  52          2HG1      VAL  52  -2.904  -4.864   1.341
  414   3HG1  VAL  52          3HG1      VAL  52  -1.888  -5.216   2.740
  415   1HG2  VAL  52          1HG2      VAL  52  -3.651  -2.697   0.926
  416   2HG2  VAL  52          2HG2      VAL  52  -2.050  -2.279   0.315
  417   3HG2  VAL  52          3HG2      VAL  52  -2.811  -1.275   1.551
  418    H    GLU  53           H        GLU  53  -4.648  -2.980   5.345
  419    HA   GLU  53           HA       GLU  53  -6.346  -4.967   4.475
  420   1HB   GLU  53          1HB       GLU  53  -6.347  -3.203   6.556
  421   2HB   GLU  53          2HB       GLU  53  -7.715  -2.622   5.617
  422   1HG   GLU  53          1HG       GLU  53  -8.451  -5.098   5.609
  423   2HG   GLU  53          2HG       GLU  53  -7.324  -5.258   6.956
  424    H    THR  54           H        THR  54  -6.612  -4.956   2.247
  425    HA   THR  54           HA       THR  54  -7.613  -2.662   0.849
  426    HB   THR  54           HB       THR  54  -7.980  -4.411  -1.014
  427    HG1  THR  54           HG1      THR  54  -6.214  -5.981   0.538
  428   1HG2  THR  54          1HG2      THR  54  -5.750  -4.215  -1.707
  429   2HG2  THR  54          2HG2      THR  54  -5.141  -4.227  -0.051
  430   3HG2  THR  54          3HG2      THR  54  -6.002  -2.815  -0.665
  431    H    TRP  55           H        TRP  55  -9.001  -5.476   2.370
  432    HA   TRP  55           HA       TRP  55 -11.477  -5.637   1.163
  433   1HB   TRP  55          1HB       TRP  55 -10.312  -6.455   3.706
  434   2HB   TRP  55          2HB       TRP  55 -12.023  -6.065   3.856
  435    HD1  TRP  55           HD1      TRP  55  -9.721  -8.362   1.754
  436    HE1  TRP  55           HE1      TRP  55 -11.073 -10.452   1.097
  437    HE3  TRP  55           HE3      TRP  55 -14.268  -7.026   3.674
  438    HZ2  TRP  55           HZ2      TRP  55 -13.716 -11.408   1.358
  439    HZ3  TRP  55           HZ3      TRP  55 -16.156  -8.585   3.429
  440    HH2  TRP  55           HH2      TRP  55 -15.884 -10.730   2.295
  Start of MODEL    2
    1    H    MET   1           H        MET   1  -7.339   3.675   0.014
    2    HA   MET   1           HA       MET   1  -5.601   2.475   1.891
    3   1HB   MET   1          1HB       MET   1  -4.363   4.575   1.815
    4   2HB   MET   1          2HB       MET   1  -4.837   4.083   0.196
    5   1HG   MET   1          1HG       MET   1  -5.289   6.333   0.174
    6   2HG   MET   1          2HG       MET   1  -6.861   5.642   0.568
    7   1HE   MET   1          1HE       MET   1  -3.556   6.848   2.132
    8   2HE   MET   1          2HE       MET   1  -4.035   5.731   3.413
    9   3HE   MET   1          3HE       MET   1  -4.034   7.470   3.712
   10    H    ILE   2           H        ILE   2  -4.871   3.675   3.910
   11    HA   ILE   2           HA       ILE   2  -7.259   4.399   5.449
   12    HB   ILE   2           HB       ILE   2  -4.632   3.257   6.375
   13   1HG1  ILE   2          1HG1      ILE   2  -6.080   1.374   7.129
   14   2HG1  ILE   2          2HG1      ILE   2  -7.449   2.165   6.356
   15   1HG2  ILE   2          1HG2      ILE   2  -6.728   4.667   7.862
   16   2HG2  ILE   2          2HG2      ILE   2  -5.038   4.377   8.276
   17   3HG2  ILE   2          3HG2      ILE   2  -6.244   3.117   8.547
   18   1HD1  ILE   2          1HD1      ILE   2  -6.785   1.590   4.276
   19   2HD1  ILE   2          2HD1      ILE   2  -6.029   0.269   5.168
   20   3HD1  ILE   2          3HD1      ILE   2  -5.070   1.665   4.680
   21    HA   PRO   3           HA       PRO   3  -5.507   8.536   5.621
   22   1HB   PRO   3          1HB       PRO   3  -7.329   9.662   7.210
   23   2HB   PRO   3          2HB       PRO   3  -7.772   9.148   5.574
   24   1HG   PRO   3          1HG       PRO   3  -8.098   7.643   8.169
   25   2HG   PRO   3          2HG       PRO   3  -9.351   8.024   6.957
   26   1HD   PRO   3          1HD       PRO   3  -8.124   5.643   6.948
   27   2HD   PRO   3          2HD       PRO   3  -8.503   6.470   5.422
   28    H    VAL   4           H        VAL   4  -5.263  10.159   7.626
   29    HA   VAL   4           HA       VAL   4  -4.268  10.615   9.618
   30    HB   VAL   4           HB       VAL   4  -5.772   8.106  10.137
   31   1HG1  VAL   4          1HG1      VAL   4  -3.693   9.128  12.071
   32   2HG1  VAL   4          2HG1      VAL   4  -3.810   7.510  11.374
   33   3HG1  VAL   4          3HG1      VAL   4  -5.029   8.068  12.522
   34   1HG2  VAL   4          1HG2      VAL   4  -6.733  10.386  10.251
   35   2HG2  VAL   4          2HG2      VAL   4  -5.677  10.720  11.624
   36   3HG2  VAL   4          3HG2      VAL   4  -6.907   9.462  11.744
   37    H    ARG   5           H        ARG   5  -3.691   7.123   9.260
   38    HA   ARG   5           HA       ARG   5  -0.952   7.347  10.032
   39   1HB   ARG   5          1HB       ARG   5  -2.824   5.326   9.942
   40   2HB   ARG   5          2HB       ARG   5  -1.745   4.902   8.618
   41   1HG   ARG   5          1HG       ARG   5  -0.866   3.778  10.445
   42   2HG   ARG   5          2HG       ARG   5   0.146   5.216  10.321
   43   1HD   ARG   5          1HD       ARG   5  -0.980   6.269  12.123
   44   2HD   ARG   5          2HD       ARG   5  -2.255   5.050  12.123
   45    HE   ARG   5           HE       ARG   5  -0.027   3.606  12.627
   46   1HH1  ARG   5          1HH1      ARG   5  -1.387   6.475  14.058
   47   2HH1  ARG   5          2HH1      ARG   5  -0.751   6.149  15.635
   48   1HH2  ARG   5          1HH2      ARG   5   0.817   3.166  14.700
   49   2HH2  ARG   5          2HH2      ARG   5   0.504   4.266  16.000
   50    H    CYS   6           H        CYS   6   0.380   5.633   8.438
   51    HA   CYS   6           HA       CYS   6   1.275   7.174   6.261
   52   1HB   CYS   6          1HB       CYS   6   1.999   4.781   7.583
   53   2HB   CYS   6          2HB       CYS   6   1.837   4.390   5.879
   54    H    LEU   7           H        LEU   7   1.425   5.199   4.228
   55    HA   LEU   7           HA       LEU   7   0.254   4.160   2.553
   56   1HB   LEU   7          1HB       LEU   7  -2.286   5.058   3.886
   57   2HB   LEU   7          2HB       LEU   7  -2.131   3.859   2.632
   58    HG   LEU   7           HG       LEU   7  -2.160   2.300   4.221
   59   1HD1  LEU   7          1HD1      LEU   7   0.217   3.338   5.680
   60   2HD1  LEU   7          2HD1      LEU   7   0.418   2.778   4.019
   61   3HD1  LEU   7          3HD1      LEU   7  -0.211   1.682   5.250
   62   1HD2  LEU   7          1HD2      LEU   7  -3.093   4.330   5.585
   63   2HD2  LEU   7          2HD2      LEU   7  -1.595   4.119   6.495
   64   3HD2  LEU   7          3HD2      LEU   7  -2.743   2.786   6.363
   65    H    SER   8           H        SER   8   1.155   6.913   2.695
   66    HA   SER   8           HA       SER   8   0.100   7.853   0.262
   67   1HB   SER   8          1HB       SER   8  -1.290   8.722   2.681
   68   2HB   SER   8          2HB       SER   8  -0.682  10.075   1.726
   69    HG   SER   8           HG       SER   8  -1.926   9.474   0.051
   70    H    CYS   9           H        CYS   9   0.985   9.736   3.140
   71    HA   CYS   9           HA       CYS   9   2.744  11.110   3.580
   72   1HB   CYS   9          1HB       CYS   9   3.925   8.855   2.065
   73   2HB   CYS   9          2HB       CYS   9   4.910  10.306   2.194
   74    H    GLY  10           H        GLY  10   1.041  11.398   1.008
   75   1HA   GLY  10          1HA       GLY  10   1.158  13.661  -0.016
   76   2HA   GLY  10          2HA       GLY  10   2.850  13.308  -0.332
   77    H    LYS  11           H        LYS  11   1.955  10.444  -0.950
   78    HA   LYS  11           HA       LYS  11   1.032  11.012  -3.685
   79   1HB   LYS  11          1HB       LYS  11   3.229   9.376  -2.638
   80   2HB   LYS  11          2HB       LYS  11   2.254   8.567  -3.858
   81   1HG   LYS  11          1HG       LYS  11   4.185   9.717  -4.823
   82   2HG   LYS  11          2HG       LYS  11   2.660  10.384  -5.414
   83   1HD   LYS  11          1HD       LYS  11   3.364  11.790  -3.062
   84   2HD   LYS  11          2HD       LYS  11   4.796  11.725  -4.092
   85   1HE   LYS  11          1HE       LYS  11   3.418  12.565  -5.975
   86   2HE   LYS  11          2HE       LYS  11   2.061  12.733  -4.863
   87   1HZ   LYS  11          1HZ       LYS  11   3.267  14.352  -3.610
   88   2HZ   LYS  11          2HZ       LYS  11   3.305  14.816  -5.237
   89   3HZ   LYS  11          3HZ       LYS  11   4.669  14.109  -4.526
   90    HA   PRO  12           HA       PRO  12  -2.569   8.621  -2.478
   91   1HB   PRO  12          1HB       PRO  12  -2.953   8.463  -5.415
   92   2HB   PRO  12          2HB       PRO  12  -4.062   9.034  -4.163
   93   1HG   PRO  12          1HG       PRO  12  -2.843  10.757  -5.790
   94   2HG   PRO  12          2HG       PRO  12  -3.086  11.138  -4.073
   95   1HD   PRO  12          1HD       PRO  12  -0.607  10.219  -5.480
   96   2HD   PRO  12          2HD       PRO  12  -0.790  11.436  -4.200
   97    H    VAL  13           H        VAL  13  -2.710   6.508  -2.068
   98    HA   VAL  13           HA       VAL  13  -1.251   4.643  -3.823
   99    HB   VAL  13           HB       VAL  13  -0.922   3.189  -1.934
  100   1HG1  VAL  13          1HG1      VAL  13  -0.212   6.068  -1.439
  101   2HG1  VAL  13          2HG1      VAL  13   0.791   4.798  -2.138
  102   3HG1  VAL  13          3HG1      VAL  13   0.381   4.753  -0.423
  103   1HG2  VAL  13          1HG2      VAL  13  -1.664   3.796   0.325
  104   2HG2  VAL  13          2HG2      VAL  13  -3.028   3.572  -0.769
  105   3HG2  VAL  13          3HG2      VAL  13  -2.506   5.198  -0.332
  106    H    SER  14           H        SER  14  -4.326   5.478  -2.559
  107    HA   SER  14           HA       SER  14  -5.658   3.047  -2.501
  108   1HB   SER  14          1HB       SER  14  -7.074   5.446  -3.589
  109   2HB   SER  14          2HB       SER  14  -7.607   4.281  -2.372
  110    HG   SER  14           HG       SER  14  -7.109   6.260  -1.399
  111    H    ALA  15           H        ALA  15  -5.142   5.240  -5.244
  112    HA   ALA  15           HA       ALA  15  -6.645   3.738  -7.106
  113   1HB   ALA  15          1HB       ALA  15  -4.606   5.905  -7.321
  114   2HB   ALA  15          2HB       ALA  15  -6.309   5.910  -7.782
  115   3HB   ALA  15          3HB       ALA  15  -5.130   5.047  -8.771
  116    H    TYR  16           H        TYR  16  -3.315   3.554  -6.034
  117    HA   TYR  16           HA       TYR  16  -2.557   1.716  -8.131
  118   1HB   TYR  16          1HB       TYR  16  -1.195   3.091  -5.872
  119   2HB   TYR  16          2HB       TYR  16  -0.482   1.597  -6.463
  120    HD1  TYR  16           HD1      TYR  16   0.082   1.431  -8.938
  121    HD2  TYR  16           HD2      TYR  16  -0.849   5.113  -7.021
  122    HE1  TYR  16           HE1      TYR  16   1.154   2.655 -10.782
  123    HE2  TYR  16           HE2      TYR  16   0.221   6.347  -8.860
  124    HH   TYR  16           HH       TYR  16   0.855   5.122 -11.772
  125    H    PHE  17           H        PHE  17  -3.776   1.575  -4.903
  126    HA   PHE  17           HA       PHE  17  -2.906  -0.817  -3.909
  127   1HB   PHE  17          1HB       PHE  17  -5.481   0.665  -3.720
  128   2HB   PHE  17          2HB       PHE  17  -5.469  -1.001  -3.155
  129    HD1  PHE  17           HD1      PHE  17  -2.365   0.823  -2.828
  130    HD2  PHE  17           HD2      PHE  17  -6.067  -0.082  -0.931
  131    HE1  PHE  17           HE1      PHE  17  -1.435   1.556  -0.670
  132    HE2  PHE  17           HE2      PHE  17  -5.144   0.650   1.227
  133    HZ   PHE  17           HZ       PHE  17  -2.826   1.471   1.361
  134    H    ASN  18           H        ASN  18  -5.089  -0.291  -6.579
  135    HA   ASN  18           HA       ASN  18  -6.182  -2.871  -6.796
  136   1HB   ASN  18          1HB       ASN  18  -6.595  -0.568  -8.125
  137   2HB   ASN  18          2HB       ASN  18  -5.569  -1.388  -9.299
  138   1HD2  ASN  18          1HD2      ASN  18  -8.538  -1.652  -7.438
  139   2HD2  ASN  18          2HD2      ASN  18  -9.339  -2.738  -8.526
  140    H    GLU  19           H        GLU  19  -3.166  -1.467  -7.939
  141    HA   GLU  19           HA       GLU  19  -2.321  -3.606  -9.562
  142   1HB   GLU  19          1HB       GLU  19  -1.351  -1.148  -9.106
  143   2HB   GLU  19          2HB       GLU  19  -0.289  -2.053  -8.039
  144   1HG   GLU  19          1HG       GLU  19   0.969  -2.183  -9.894
  145   2HG   GLU  19          2HG       GLU  19  -0.076  -3.561 -10.234
  146    H    TYR  20           H        TYR  20  -1.620  -2.826  -6.166
  147    HA   TYR  20           HA       TYR  20  -0.017  -5.005  -5.529
  148   1HB   TYR  20          1HB       TYR  20  -0.256  -3.262  -3.923
  149   2HB   TYR  20          2HB       TYR  20  -2.006  -3.434  -3.887
  150    HD1  TYR  20           HD1      TYR  20  -3.030  -5.391  -2.749
  151    HD2  TYR  20           HD2      TYR  20   1.147  -4.612  -2.545
  152    HE1  TYR  20           HE1      TYR  20  -2.848  -6.900  -0.816
  153    HE2  TYR  20           HE2      TYR  20   1.342  -6.120  -0.613
  154    HH   TYR  20           HH       TYR  20  -1.148  -7.094   1.216
  155    H    GLN  21           H        GLN  21  -3.540  -4.693  -5.330
  156    HA   GLN  21           HA       GLN  21  -4.130  -7.246  -4.387
  157   1HB   GLN  21          1HB       GLN  21  -5.871  -5.630  -4.413
  158   2HB   GLN  21          2HB       GLN  21  -5.678  -5.334  -6.134
  159   1HG   GLN  21          1HG       GLN  21  -6.453  -7.696  -6.509
  160   2HG   GLN  21          2HG       GLN  21  -6.852  -7.744  -4.796
  161   1HE2  GLN  21          1HE2      GLN  21  -8.104  -5.621  -4.144
  162   2HE2  GLN  21          2HE2      GLN  21  -9.471  -5.282  -5.144
  163    H    ARG  22           H        ARG  22  -4.549  -6.192  -7.759
  164    HA   ARG  22           HA       ARG  22  -4.939  -8.574  -8.979
  165   1HB   ARG  22          1HB       ARG  22  -5.026  -6.495 -10.207
  166   2HB   ARG  22          2HB       ARG  22  -3.299  -6.248  -9.995
  167   1HG   ARG  22          1HG       ARG  22  -2.741  -7.877 -11.540
  168   2HG   ARG  22          2HG       ARG  22  -4.309  -8.679 -11.410
  169   1HD   ARG  22          1HD       ARG  22  -4.803  -6.039 -12.274
  170   2HD   ARG  22          2HD       ARG  22  -3.465  -6.655 -13.244
  171    HE   ARG  22           HE       ARG  22  -5.530  -8.577 -13.101
  172   1HH1  ARG  22          1HH1      ARG  22  -4.733  -5.526 -14.577
  173   2HH1  ARG  22          2HH1      ARG  22  -5.743  -5.784 -15.959
  174   1HH2  ARG  22          1HH2      ARG  22  -6.864  -8.928 -14.919
  175   2HH2  ARG  22          2HH2      ARG  22  -6.954  -7.717 -16.155
  176    H    ARG  23           H        ARG  23  -1.713  -7.139  -8.422
  177    HA   ARG  23           HA       ARG  23  -0.213  -9.221  -9.501
  178   1HB   ARG  23          1HB       ARG  23   0.302  -6.878  -7.921
  179   2HB   ARG  23          2HB       ARG  23   1.240  -8.229  -7.290
  180   1HG   ARG  23          1HG       ARG  23   2.703  -7.453  -8.847
  181   2HG   ARG  23          2HG       ARG  23   1.789  -8.578  -9.852
  182   1HD   ARG  23          1HD       ARG  23   0.290  -6.608 -10.426
  183   2HD   ARG  23          2HD       ARG  23   1.532  -5.588  -9.698
  184    HE   ARG  23           HE       ARG  23   2.873  -5.956 -11.528
  185   1HH1  ARG  23          1HH1      ARG  23   0.186  -8.170 -11.585
  186   2HH1  ARG  23          2HH1      ARG  23   0.511  -8.724 -13.195
  187   1HH2  ARG  23          1HH2      ARG  23   3.310  -6.678 -13.645
  188   2HH2  ARG  23          2HH2      ARG  23   2.286  -7.875 -14.365
  189    H    VAL  24           H        VAL  24  -0.817  -8.654  -6.025
  190    HA   VAL  24           HA       VAL  24   0.186 -11.011  -5.032
  191    HB   VAL  24           HB       VAL  24  -2.285  -9.598  -4.023
  192   1HG1  VAL  24          1HG1      VAL  24  -1.800 -10.618  -1.892
  193   2HG1  VAL  24          2HG1      VAL  24  -0.353 -11.383  -2.551
  194   3HG1  VAL  24          3HG1      VAL  24  -1.948 -11.875  -3.121
  195   1HG2  VAL  24          1HG2      VAL  24   0.388  -8.694  -4.184
  196   2HG2  VAL  24          2HG2      VAL  24   0.052  -9.052  -2.490
  197   3HG2  VAL  24          3HG2      VAL  24  -0.978  -7.928  -3.373
  198    H    ALA  25           H        ALA  25  -2.760 -10.489  -6.790
  199    HA   ALA  25           HA       ALA  25  -4.122 -12.858  -6.058
  200   1HB   ALA  25          1HB       ALA  25  -5.656 -12.340  -7.729
  201   2HB   ALA  25          2HB       ALA  25  -4.442 -11.542  -8.730
  202   3HB   ALA  25          3HB       ALA  25  -5.021 -10.764  -7.256
  203    H    ASP  26           H        ASP  26  -2.328 -12.084  -9.048
  204    HA   ASP  26           HA       ASP  26  -2.372 -14.708 -10.063
  205   1HB   ASP  26          1HB       ASP  26  -0.937 -12.196 -10.693
  206   2HB   ASP  26          2HB       ASP  26  -0.164 -13.680 -11.242
  207    H    GLY  27           H        GLY  27  -0.114 -13.023  -7.950
  208   1HA   GLY  27          1HA       GLY  27   0.945 -14.554  -6.288
  209   2HA   GLY  27          2HA       GLY  27   1.374 -15.561  -7.661
  210    H    GLU  28           H        GLU  28   1.556 -12.041  -7.617
  211    HA   GLU  28           HA       GLU  28   4.423 -12.249  -8.137
  212   1HB   GLU  28          1HB       GLU  28   2.535  -9.896  -8.382
  213   2HB   GLU  28          2HB       GLU  28   4.237  -9.876  -8.812
  214   1HG   GLU  28          1HG       GLU  28   3.299 -10.214 -10.858
  215   2HG   GLU  28          2HG       GLU  28   3.562 -11.882 -10.350
  216    H    ASP  29           H        ASP  29   5.934 -10.867  -7.054
  217    HA   ASP  29           HA       ASP  29   5.524 -10.744  -4.242
  218   1HB   ASP  29          1HB       ASP  29   7.725 -10.699  -5.955
  219   2HB   ASP  29          2HB       ASP  29   7.732  -9.112  -5.192
  220    HA   PRO  30           HA       PRO  30   3.204  -6.869  -4.381
  221   1HB   PRO  30          1HB       PRO  30   3.900  -6.947  -1.489
  222   2HB   PRO  30          2HB       PRO  30   2.340  -6.684  -2.270
  223   1HG   PRO  30          1HG       PRO  30   2.905  -9.022  -1.119
  224   2HG   PRO  30          2HG       PRO  30   1.981  -8.944  -2.631
  225   1HD   PRO  30          1HD       PRO  30   4.831  -9.704  -2.190
  226   2HD   PRO  30          2HD       PRO  30   3.659 -10.343  -3.360
  227    H    LYS  31           H        LYS  31   6.231  -7.306  -2.579
  228    HA   LYS  31           HA       LYS  31   6.973  -4.682  -2.180
  229   1HB   LYS  31          1HB       LYS  31   8.273  -7.250  -2.214
  230   2HB   LYS  31          2HB       LYS  31   9.315  -6.043  -2.951
  231   1HG   LYS  31          1HG       LYS  31   8.114  -5.049  -0.518
  232   2HG   LYS  31          2HG       LYS  31   9.003  -6.550  -0.244
  233   1HD   LYS  31          1HD       LYS  31  10.535  -4.753   0.068
  234   2HD   LYS  31          2HD       LYS  31  10.935  -5.526  -1.468
  235   1HE   LYS  31          1HE       LYS  31   9.069  -3.571  -2.124
  236   2HE   LYS  31          2HE       LYS  31  10.112  -2.806  -0.925
  237   1HZ   LYS  31          1HZ       LYS  31  11.456  -4.311  -3.019
  238   2HZ   LYS  31          2HZ       LYS  31  11.872  -2.833  -2.308
  239   3HZ   LYS  31          3HZ       LYS  31  10.684  -2.889  -3.512
  240    H    ASP  32           H        ASP  32   7.177  -6.644  -5.085
  241    HA   ASP  32           HA       ASP  32   8.580  -4.729  -6.666
  242   1HB   ASP  32          1HB       ASP  32   7.731  -7.367  -7.008
  243   2HB   ASP  32          2HB       ASP  32   6.777  -6.451  -8.172
  244    H    VAL  33           H        VAL  33   5.197  -5.500  -6.042
  245    HA   VAL  33           HA       VAL  33   4.008  -3.725  -7.861
  246    HB   VAL  33           HB       VAL  33   2.964  -4.504  -5.133
  247   1HG1  VAL  33          1HG1      VAL  33   0.910  -4.105  -7.043
  248   2HG1  VAL  33          2HG1      VAL  33   1.982  -2.705  -7.103
  249   3HG1  VAL  33          3HG1      VAL  33   1.239  -3.181  -5.577
  250   1HG2  VAL  33          1HG2      VAL  33   2.589  -5.825  -7.815
  251   2HG2  VAL  33          2HG2      VAL  33   1.691  -6.234  -6.354
  252   3HG2  VAL  33          3HG2      VAL  33   3.435  -6.490  -6.416
  253    H    LEU  34           H        LEU  34   5.047  -3.306  -4.495
  254    HA   LEU  34           HA       LEU  34   4.194  -0.732  -4.010
  255   1HB   LEU  34          1HB       LEU  34   6.595  -2.274  -3.113
  256   2HB   LEU  34          2HB       LEU  34   6.432  -0.591  -2.668
  257    HG   LEU  34           HG       LEU  34   5.626  -2.304  -0.969
  258   1HD1  LEU  34          1HD1      LEU  34   3.292  -0.623  -1.460
  259   2HD1  LEU  34          2HD1      LEU  34   4.823   0.250  -1.524
  260   3HD1  LEU  34          3HD1      LEU  34   4.392  -0.669  -0.081
  261   1HD2  LEU  34          1HD2      LEU  34   3.196  -2.949  -1.395
  262   2HD2  LEU  34          2HD2      LEU  34   4.441  -3.870  -2.237
  263   3HD2  LEU  34          3HD2      LEU  34   3.533  -2.624  -3.092
  264    H    ASP  35           H        ASP  35   7.026  -1.826  -5.794
  265    HA   ASP  35           HA       ASP  35   8.217   0.683  -6.200
  266   1HB   ASP  35          1HB       ASP  35   9.198  -1.628  -6.705
  267   2HB   ASP  35          2HB       ASP  35   8.274  -1.575  -8.203
  268    H    ASP  36           H        ASP  36   5.603  -1.006  -7.786
  269    HA   ASP  36           HA       ASP  36   5.352   0.957  -9.900
  270   1HB   ASP  36          1HB       ASP  36   4.343  -1.701  -9.361
  271   2HB   ASP  36          2HB       ASP  36   3.030  -0.624  -9.828
  272    H    LEU  37           H        LEU  37   3.636   0.028  -6.951
  273    HA   LEU  37           HA       LEU  37   1.377   1.576  -7.067
  274   1HB   LEU  37          1HB       LEU  37   3.168   0.748  -4.822
  275   2HB   LEU  37          2HB       LEU  37   1.860   1.863  -4.494
  276    HG   LEU  37           HG       LEU  37   1.009  -0.508  -5.986
  277   1HD1  LEU  37          1HD1      LEU  37   2.490  -1.799  -4.762
  278   2HD1  LEU  37          2HD1      LEU  37   1.037  -1.830  -3.766
  279   3HD1  LEU  37          3HD1      LEU  37   2.375  -0.764  -3.340
  280   1HD2  LEU  37          1HD2      LEU  37  -0.919  -0.148  -4.883
  281   2HD2  LEU  37          2HD2      LEU  37  -0.206   1.432  -4.551
  282   3HD2  LEU  37          3HD2      LEU  37  -0.106   0.149  -3.346
  283    H    GLY  38           H        GLY  38   4.615   2.566  -6.033
  284   1HA   GLY  38          1HA       GLY  38   5.617   4.632  -6.141
  285   2HA   GLY  38          2HA       GLY  38   4.172   5.253  -6.924
  286    H    LEU  39           H        LEU  39   5.070   3.964  -3.723
  287    HA   LEU  39           HA       LEU  39   3.460   6.096  -2.507
  288   1HB   LEU  39          1HB       LEU  39   4.580   3.742  -1.024
  289   2HB   LEU  39          2HB       LEU  39   3.187   4.730  -0.628
  290    HG   LEU  39           HG       LEU  39   2.241   3.723  -2.870
  291   1HD1  LEU  39          1HD1      LEU  39   4.580   2.043  -2.250
  292   2HD1  LEU  39          2HD1      LEU  39   3.769   2.342  -3.787
  293   3HD1  LEU  39          3HD1      LEU  39   3.088   1.186  -2.642
  294   1HD2  LEU  39          1HD2      LEU  39   1.753   3.339  -0.243
  295   2HD2  LEU  39          2HD2      LEU  39   2.192   1.706  -0.742
  296   3HD2  LEU  39          3HD2      LEU  39   0.867   2.545  -1.545
  297    H    LYS  40           H        LYS  40   6.682   4.896  -2.850
  298    HA   LYS  40           HA       LYS  40   8.704   5.730  -2.240
  299   1HB   LYS  40          1HB       LYS  40   6.926   8.017  -2.267
  300   2HB   LYS  40          2HB       LYS  40   8.194   8.215  -1.065
  301   1HG   LYS  40          1HG       LYS  40   9.188   9.129  -2.910
  302   2HG   LYS  40          2HG       LYS  40   9.756   7.462  -3.018
  303   1HD   LYS  40          1HD       LYS  40   7.647   7.089  -4.471
  304   2HD   LYS  40          2HD       LYS  40   7.648   8.848  -4.631
  305   1HE   LYS  40          1HE       LYS  40  10.079   8.621  -5.344
  306   2HE   LYS  40          2HE       LYS  40   9.759   6.894  -5.497
  307   1HZ   LYS  40          1HZ       LYS  40   8.600   7.196  -7.370
  308   2HZ   LYS  40          2HZ       LYS  40   9.389   8.689  -7.456
  309   3HZ   LYS  40          3HZ       LYS  40   7.829   8.593  -6.810
  310    H    ARG  41           H        ARG  41  10.068   5.963  -0.435
  311    HA   ARG  41           HA       ARG  41  10.741   5.578   1.701
  312   1HB   ARG  41          1HB       ARG  41   8.058   6.818   2.340
  313   2HB   ARG  41          2HB       ARG  41   9.320   6.506   3.523
  314   1HG   ARG  41          1HG       ARG  41  10.197   8.061   1.200
  315   2HG   ARG  41          2HG       ARG  41   8.971   8.849   2.195
  316   1HD   ARG  41          1HD       ARG  41  10.831   9.539   3.308
  317   2HD   ARG  41          2HD       ARG  41  10.555   8.014   4.148
  318    HE   ARG  41           HE       ARG  41  12.528   7.257   3.296
  319   1HH1  ARG  41          1HH1      ARG  41  11.424   9.913   1.334
  320   2HH1  ARG  41          2HH1      ARG  41  12.853   9.954   0.356
  321   1HH2  ARG  41          1HH2      ARG  41  14.413   7.301   2.015
  322   2HH2  ARG  41          2HH2      ARG  41  14.553   8.469   0.743
  323    H    TYR  42           H        TYR  42  10.611   4.033   3.357
  324    HA   TYR  42           HA       TYR  42   8.660   1.918   2.820
  325   1HB   TYR  42          1HB       TYR  42  11.314   1.679   3.052
  326   2HB   TYR  42          2HB       TYR  42  10.900   1.527   4.756
  327    HD1  TYR  42           HD1      TYR  42   8.160   0.141   4.114
  328    HD2  TYR  42           HD2      TYR  42  12.177  -0.579   2.913
  329    HE1  TYR  42           HE1      TYR  42   7.627  -2.236   3.779
  330    HE2  TYR  42           HE2      TYR  42  11.654  -2.958   2.574
  331    HH   TYR  42           HH       TYR  42   9.912  -4.610   3.489
  332    H    CYS  43           H        CYS  43   8.113   4.407   4.339
  333    HA   CYS  43           HA       CYS  43   7.624   3.434   7.037
  334   1HB   CYS  43          1HB       CYS  43   6.622   5.723   7.352
  335   2HB   CYS  43          2HB       CYS  43   8.323   5.721   6.898
  336    H    CYS  44           H        CYS  44   6.035   3.960   4.008
  337    HA   CYS  44           HA       CYS  44   3.369   3.517   5.072
  338   1HB   CYS  44          1HB       CYS  44   3.921   3.478   2.143
  339   2HB   CYS  44          2HB       CYS  44   2.576   4.208   3.021
  340    H    ARG  45           H        ARG  45   5.395   1.985   2.575
  341    HA   ARG  45           HA       ARG  45   3.947  -0.210   1.972
  342   1HB   ARG  45          1HB       ARG  45   6.908  -0.450   2.439
  343   2HB   ARG  45          2HB       ARG  45   5.928  -1.277   1.240
  344   1HG   ARG  45          1HG       ARG  45   5.511   0.991   0.206
  345   2HG   ARG  45          2HG       ARG  45   6.782   1.600   1.269
  346   1HD   ARG  45          1HD       ARG  45   8.426   0.274   0.250
  347   2HD   ARG  45          2HD       ARG  45   7.230  -0.763  -0.527
  348    HE   ARG  45           HE       ARG  45   6.745   1.665  -1.616
  349   1HH1  ARG  45          1HH1      ARG  45   9.619  -0.264  -1.245
  350   2HH1  ARG  45          2HH1      ARG  45  10.371   0.344  -2.683
  351   1HH2  ARG  45          1HH2      ARG  45   7.724   2.474  -3.512
  352   2HH2  ARG  45          2HH2      ARG  45   9.293   1.901  -3.971
  353    H    ARG  46           H        ARG  46   6.329  -0.140   4.632
  354    HA   ARG  46           HA       ARG  46   6.297  -2.618   5.622
  355   1HB   ARG  46          1HB       ARG  46   6.632  -1.730   7.849
  356   2HB   ARG  46          2HB       ARG  46   7.456  -0.706   6.678
  357   1HG   ARG  46          1HG       ARG  46   5.436   0.797   6.751
  358   2HG   ARG  46          2HG       ARG  46   4.886  -0.154   8.133
  359   1HD   ARG  46          1HD       ARG  46   7.545   0.459   8.694
  360   2HD   ARG  46          2HD       ARG  46   6.869   1.940   8.016
  361    HE   ARG  46           HE       ARG  46   5.005   1.182   9.823
  362   1HH1  ARG  46          1HH1      ARG  46   8.451   1.663   9.993
  363   2HH1  ARG  46          2HH1      ARG  46   8.432   2.142  11.657
  364   1HH2  ARG  46          1HH2      ARG  46   4.970   1.810  12.016
  365   2HH2  ARG  46          2HH2      ARG  46   6.453   2.224  12.808
  366    H    MET  47           H        MET  47   3.690  -0.286   6.170
  367    HA   MET  47           HA       MET  47   2.127  -2.163   7.688
  368   1HB   MET  47          1HB       MET  47   1.878   0.654   6.788
  369   2HB   MET  47          2HB       MET  47   0.385  -0.216   7.068
  370   1HG   MET  47          1HG       MET  47   0.633  -0.197   9.296
  371   2HG   MET  47          2HG       MET  47   2.369  -0.490   9.205
  372   1HE   MET  47          1HE       MET  47   1.519   2.839   7.052
  373   2HE   MET  47          2HE       MET  47   0.499   3.570   8.292
  374   3HE   MET  47          3HE       MET  47   0.077   1.996   7.619
  375    H    LEU  48           H        LEU  48   2.162  -0.787   4.456
  376    HA   LEU  48           HA       LEU  48  -0.284  -1.899   3.649
  377   1HB   LEU  48          1HB       LEU  48   1.973  -1.090   1.826
  378   2HB   LEU  48          2HB       LEU  48   0.264  -1.154   1.442
  379    HG   LEU  48           HG       LEU  48   1.231   0.683   3.596
  380   1HD1  LEU  48          1HD1      LEU  48   2.319   2.032   2.215
  381   2HD1  LEU  48          2HD1      LEU  48   0.959   2.045   1.094
  382   3HD1  LEU  48          3HD1      LEU  48   2.193   0.791   0.969
  383   1HD2  LEU  48          1HD2      LEU  48  -1.104   0.556   3.491
  384   2HD2  LEU  48          2HD2      LEU  48  -1.111   0.561   1.728
  385   3HD2  LEU  48          3HD2      LEU  48  -0.693   2.028   2.612
  386    H    ILE  49           H        ILE  49   2.922  -2.724   2.291
  387    HA   ILE  49           HA       ILE  49   2.313  -4.931   0.883
  388    HB   ILE  49           HB       ILE  49   4.600  -5.897   1.715
  389   1HG1  ILE  49          1HG1      ILE  49   5.244  -3.086   2.390
  390   2HG1  ILE  49          2HG1      ILE  49   4.374  -4.002   3.619
  391   1HG2  ILE  49          1HG2      ILE  49   5.747  -4.446   0.145
  392   2HG2  ILE  49          2HG2      ILE  49   4.421  -3.284   0.225
  393   3HG2  ILE  49          3HG2      ILE  49   4.153  -4.882  -0.470
  394   1HD1  ILE  49          1HD1      ILE  49   6.131  -5.729   3.521
  395   2HD1  ILE  49          2HD1      ILE  49   6.729  -4.149   4.027
  396   3HD1  ILE  49          3HD1      ILE  49   7.018  -4.714   2.382
  397    H    SER  50           H        SER  50   2.407  -4.790   4.371
  398    HA   SER  50           HA       SER  50   2.326  -7.633   4.734
  399   1HB   SER  50          1HB       SER  50   2.554  -5.306   6.412
  400   2HB   SER  50          2HB       SER  50   1.290  -6.365   7.041
  401    HG   SER  50           HG       SER  50   3.887  -6.653   7.300
  402    H    HIS  51           H        HIS  51  -0.071  -5.330   5.968
  403    HA   HIS  51           HA       HIS  51  -2.150  -7.290   5.466
  404   1HB   HIS  51          1HB       HIS  51  -3.577  -5.489   6.663
  405   2HB   HIS  51          2HB       HIS  51  -2.391  -6.399   7.594
  406    HD2  HIS  51           HD2      HIS  51  -0.199  -4.960   8.520
  407    HE1  HIS  51           HE1      HIS  51  -1.767  -1.197   7.379
  408    HE2  HIS  51           HE2      HIS  51   0.039  -2.383   8.707
  409    H    VAL  52           H        VAL  52  -1.979  -3.761   4.934
  410    HA   VAL  52           HA       VAL  52  -3.238  -2.446   3.536
  411    HB   VAL  52           HB       VAL  52  -1.189  -2.880   2.273
  412   1HG1  VAL  52          1HG1      VAL  52  -0.907  -4.572   0.722
  413   2HG1  VAL  52          2HG1      VAL  52  -2.632  -4.910   0.621
  414   3HG1  VAL  52          3HG1      VAL  52  -1.721  -5.393   2.050
  415   1HG2  VAL  52          1HG2      VAL  52  -3.784  -2.297   1.028
  416   2HG2  VAL  52          2HG2      VAL  52  -2.463  -2.656  -0.083
  417   3HG2  VAL  52          3HG2      VAL  52  -2.303  -1.340   1.079
  418    H    GLU  53           H        GLU  53  -5.236  -3.524   4.440
  419    HA   GLU  53           HA       GLU  53  -6.688  -5.520   3.283
  420   1HB   GLU  53          1HB       GLU  53  -7.199  -3.713   5.218
  421   2HB   GLU  53          2HB       GLU  53  -8.245  -3.090   3.950
  422   1HG   GLU  53          1HG       GLU  53  -9.101  -5.503   3.768
  423   2HG   GLU  53          2HG       GLU  53  -8.339  -5.729   5.342
  424    H    THR  54           H        THR  54  -7.657  -5.882   1.391
  425    HA   THR  54           HA       THR  54  -8.188  -3.591  -0.382
  426    HB   THR  54           HB       THR  54  -7.505  -4.912  -2.320
  427    HG1  THR  54           HG1      THR  54  -7.070  -6.885  -0.343
  428   1HG2  THR  54          1HG2      THR  54  -5.849  -3.636  -0.618
  429   2HG2  THR  54          2HG2      THR  54  -5.315  -4.377  -2.127
  430   3HG2  THR  54          3HG2      THR  54  -5.127  -5.246  -0.604
  431    H    TRP  55           H        TRP  55  -9.877  -5.298   1.434
  432    HA   TRP  55           HA       TRP  55 -12.113  -5.540  -0.301
  433   1HB   TRP  55          1HB       TRP  55 -12.464  -7.975  -0.072
  434   2HB   TRP  55          2HB       TRP  55 -11.002  -7.601  -0.979
  435    HD1  TRP  55           HD1      TRP  55  -8.646  -8.125   0.217
  436    HE1  TRP  55           HE1      TRP  55  -8.034  -9.737   2.128
  437    HE3  TRP  55           HE3      TRP  55 -13.326  -8.982   2.089
  438    HZ2  TRP  55           HZ2      TRP  55  -9.360 -11.180   4.161
  439    HZ3  TRP  55           HZ3      TRP  55 -13.568 -10.490   4.017
  440    HH2  TRP  55           HH2      TRP  55 -11.624 -11.567   5.031
  Start of MODEL    3
    1    H    MET   1           H        MET   1  -7.584   4.160  -0.100
    2    HA   MET   1           HA       MET   1  -5.842   2.714   1.466
    3   1HB   MET   1          1HB       MET   1  -4.686   4.815   1.910
    4   2HB   MET   1          2HB       MET   1  -5.214   4.744   0.235
    5   1HG   MET   1          1HG       MET   1  -5.782   6.886   0.789
    6   2HG   MET   1          2HG       MET   1  -7.290   6.039   1.128
    7   1HE   MET   1          1HE       MET   1  -4.227   7.921   3.731
    8   2HE   MET   1          2HE       MET   1  -3.933   6.745   2.450
    9   3HE   MET   1          3HE       MET   1  -4.124   6.202   4.116
   10    H    ILE   2           H        ILE   2  -5.392   2.531   3.613
   11    HA   ILE   2           HA       ILE   2  -7.524   2.657   5.453
   12    HB   ILE   2           HB       ILE   2  -4.549   2.357   5.879
   13   1HG1  ILE   2          1HG1      ILE   2  -5.307  -0.003   6.483
   14   2HG1  ILE   2          2HG1      ILE   2  -6.863   0.431   5.781
   15   1HG2  ILE   2          1HG2      ILE   2  -5.821   3.314   7.884
   16   2HG2  ILE   2          2HG2      ILE   2  -4.856   1.866   8.145
   17   3HG2  ILE   2          3HG2      ILE   2  -6.605   1.739   7.974
   18   1HD1  ILE   2          1HD1      ILE   2  -6.029   0.511   3.649
   19   2HD1  ILE   2          2HD1      ILE   2  -5.086  -0.801   4.356
   20   3HD1  ILE   2          3HD1      ILE   2  -4.376   0.805   4.190
   21    HA   PRO   3           HA       PRO   3  -7.244   6.957   6.665
   22   1HB   PRO   3          1HB       PRO   3  -8.691   6.903   8.888
   23   2HB   PRO   3          2HB       PRO   3  -9.467   6.508   7.344
   24   1HG   PRO   3          1HG       PRO   3  -8.282   4.629   9.388
   25   2HG   PRO   3          2HG       PRO   3  -9.936   4.615   8.716
   26   1HD   PRO   3          1HD       PRO   3  -8.012   3.038   7.687
   27   2HD   PRO   3          2HD       PRO   3  -9.214   3.817   6.639
   28    H    VAL   4           H        VAL   4  -6.176   8.237   8.339
   29    HA   VAL   4           HA       VAL   4  -4.561   8.608   9.907
   30    HB   VAL   4           HB       VAL   4  -5.959   6.145  10.902
   31   1HG1  VAL   4          1HG1      VAL   4  -4.588   6.293  13.018
   32   2HG1  VAL   4          2HG1      VAL   4  -3.423   7.254  12.104
   33   3HG1  VAL   4          3HG1      VAL   4  -3.766   5.591  11.624
   34   1HG2  VAL   4          1HG2      VAL   4  -6.631   8.671  11.111
   35   2HG2  VAL   4          2HG2      VAL   4  -5.515   8.633  12.477
   36   3HG2  VAL   4          3HG2      VAL   4  -6.903   7.546  12.440
   37    H    ARG   5           H        ARG   5  -2.393   7.861  10.566
   38    HA   ARG   5           HA       ARG   5  -0.389   6.783  10.249
   39   1HB   ARG   5          1HB       ARG   5  -2.307   4.753   9.694
   40   2HB   ARG   5          2HB       ARG   5  -1.078   4.667   8.440
   41   1HG   ARG   5          1HG       ARG   5  -0.201   3.264  10.019
   42   2HG   ARG   5          2HG       ARG   5   0.568   4.787  10.473
   43   1HD   ARG   5          1HD       ARG   5  -0.336   4.654  12.495
   44   2HD   ARG   5          2HD       ARG   5  -1.948   4.636  11.782
   45    HE   ARG   5           HE       ARG   5  -0.997   2.065  11.539
   46   1HH1  ARG   5          1HH1      ARG   5  -1.616   4.293  14.143
   47   2HH1  ARG   5          2HH1      ARG   5  -1.977   3.050  15.294
   48   1HH2  ARG   5          1HH2      ARG   5  -1.472   0.419  13.048
   49   2HH2  ARG   5          2HH2      ARG   5  -1.895   0.847  14.672
   50    H    CYS   6           H        CYS   6   0.942   5.833   8.208
   51    HA   CYS   6           HA       CYS   6   0.427   7.735   6.034
   52   1HB   CYS   6          1HB       CYS   6   2.745   7.851   5.597
   53   2HB   CYS   6          2HB       CYS   6   2.569   7.983   7.341
   54    H    LEU   7           H        LEU   7  -0.584   6.853   4.453
   55    HA   LEU   7           HA       LEU   7   0.357   4.303   3.362
   56   1HB   LEU   7          1HB       LEU   7  -2.472   5.201   3.856
   57   2HB   LEU   7          2HB       LEU   7  -2.105   3.999   2.643
   58    HG   LEU   7           HG       LEU   7  -2.514   2.505   4.251
   59   1HD1  LEU   7          1HD1      LEU   7  -0.121   3.343   5.819
   60   2HD1  LEU   7          2HD1      LEU   7   0.077   2.654   4.209
   61   3HD1  LEU   7          3HD1      LEU   7  -0.726   1.728   5.471
   62   1HD2  LEU   7          1HD2      LEU   7  -2.152   4.745   6.222
   63   2HD2  LEU   7          2HD2      LEU   7  -2.650   3.110   6.655
   64   3HD2  LEU   7          3HD2      LEU   7  -3.667   4.090   5.598
   65    H    SER   8           H        SER   8   1.172   6.860   2.678
   66    HA   SER   8           HA       SER   8   0.875   6.953  -0.082
   67   1HB   SER   8          1HB       SER   8  -1.137   8.551   1.452
   68   2HB   SER   8          2HB       SER   8  -0.464   9.243  -0.023
   69    HG   SER   8           HG       SER   8  -1.297   7.581  -1.191
   70    H    CYS   9           H        CYS   9   1.149   9.000   2.795
   71    HA   CYS   9           HA       CYS   9   2.586  10.667   3.372
   72   1HB   CYS   9          1HB       CYS   9   4.189   8.547   2.095
   73   2HB   CYS   9          2HB       CYS   9   4.988  10.111   2.213
   74    H    GLY  10           H        GLY  10   1.055  11.004   0.857
   75   1HA   GLY  10          1HA       GLY  10   1.215  13.326  -0.089
   76   2HA   GLY  10          2HA       GLY  10   2.869  12.897  -0.506
   77    H    LYS  11           H        LYS  11   2.007  10.132  -1.186
   78    HA   LYS  11           HA       LYS  11   0.814  10.759  -3.801
   79   1HB   LYS  11          1HB       LYS  11   3.115   9.131  -2.988
   80   2HB   LYS  11          2HB       LYS  11   2.055   8.346  -4.153
   81   1HG   LYS  11          1HG       LYS  11   3.928   9.594  -5.180
   82   2HG   LYS  11          2HG       LYS  11   2.336  10.156  -5.703
   83   1HD   LYS  11          1HD       LYS  11   3.144  11.571  -3.350
   84   2HD   LYS  11          2HD       LYS  11   4.416  11.675  -4.570
   85   1HE   LYS  11          1HE       LYS  11   1.517  12.265  -5.134
   86   2HE   LYS  11          2HE       LYS  11   2.685  13.498  -4.660
   87   1HZ   LYS  11          1HZ       LYS  11   3.321  11.755  -6.933
   88   2HZ   LYS  11          2HZ       LYS  11   3.783  13.357  -6.643
   89   3HZ   LYS  11          3HZ       LYS  11   2.211  13.010  -7.161
   90    HA   PRO  12           HA       PRO  12  -2.649   8.293  -2.401
   91   1HB   PRO  12          1HB       PRO  12  -3.138   8.021  -5.314
   92   2HB   PRO  12          2HB       PRO  12  -4.220   8.588  -4.039
   93   1HG   PRO  12          1HG       PRO  12  -3.122  10.300  -5.767
   94   2HG   PRO  12          2HG       PRO  12  -3.338  10.731  -4.060
   95   1HD   PRO  12          1HD       PRO  12  -0.858   9.903  -5.510
   96   2HD   PRO  12          2HD       PRO  12  -1.064  11.118  -4.232
   97    H    VAL  13           H        VAL  13  -2.702   6.190  -1.917
   98    HA   VAL  13           HA       VAL  13  -1.147   4.341  -3.590
   99    HB   VAL  13           HB       VAL  13  -0.864   2.927  -1.688
  100   1HG1  VAL  13          1HG1      VAL  13   0.157   4.549  -0.023
  101   2HG1  VAL  13          2HG1      VAL  13  -0.437   5.838  -1.069
  102   3HG1  VAL  13          3HG1      VAL  13   0.729   4.669  -1.688
  103   1HG2  VAL  13          1HG2      VAL  13  -3.118   3.152  -0.739
  104   2HG2  VAL  13          2HG2      VAL  13  -2.715   4.772  -0.177
  105   3HG2  VAL  13          3HG2      VAL  13  -1.869   3.375   0.487
  106    H    SER  14           H        SER  14  -4.315   5.069  -2.445
  107    HA   SER  14           HA       SER  14  -5.569   2.588  -2.600
  108   1HB   SER  14          1HB       SER  14  -7.037   5.015  -3.542
  109   2HB   SER  14          2HB       SER  14  -7.560   3.744  -2.431
  110    HG   SER  14           HG       SER  14  -6.370   6.118  -1.893
  111    H    ALA  15           H        ALA  15  -5.133   5.045  -5.133
  112    HA   ALA  15           HA       ALA  15  -6.489   3.693  -7.176
  113   1HB   ALA  15          1HB       ALA  15  -4.182   5.250  -8.069
  114   2HB   ALA  15          2HB       ALA  15  -5.240   6.110  -6.951
  115   3HB   ALA  15          3HB       ALA  15  -5.895   5.439  -8.443
  116    H    TYR  16           H        TYR  16  -3.218   3.385  -5.959
  117    HA   TYR  16           HA       TYR  16  -2.427   1.613  -8.110
  118   1HB   TYR  16          1HB       TYR  16  -1.085   2.950  -5.824
  119   2HB   TYR  16          2HB       TYR  16  -0.382   1.442  -6.393
  120    HD1  TYR  16           HD1      TYR  16   0.150   1.265  -8.905
  121    HD2  TYR  16           HD2      TYR  16  -0.602   4.955  -6.924
  122    HE1  TYR  16           HE1      TYR  16   1.280   2.467 -10.728
  123    HE2  TYR  16           HE2      TYR  16   0.526   6.167  -8.742
  124    HH   TYR  16           HH       TYR  16   2.309   5.606 -10.501
  125    H    PHE  17           H        PHE  17  -3.650   1.412  -4.872
  126    HA   PHE  17           HA       PHE  17  -2.803  -1.029  -3.968
  127   1HB   PHE  17          1HB       PHE  17  -5.372   0.461  -3.688
  128   2HB   PHE  17          2HB       PHE  17  -5.324  -1.207  -3.136
  129    HD1  PHE  17           HD1      PHE  17  -5.932  -0.097  -0.928
  130    HD2  PHE  17           HD2      PHE  17  -2.166   0.443  -2.841
  131    HE1  PHE  17           HE1      PHE  17  -4.956   0.643   1.205
  132    HE2  PHE  17           HE2      PHE  17  -1.188   1.183  -0.708
  133    HZ   PHE  17           HZ       PHE  17  -2.585   1.283   1.316
  134    H    ASN  18           H        ASN  18  -4.946  -0.362  -6.615
  135    HA   ASN  18           HA       ASN  18  -6.129  -2.891  -6.928
  136   1HB   ASN  18          1HB       ASN  18  -5.726  -0.492  -8.601
  137   2HB   ASN  18          2HB       ASN  18  -5.912  -1.998  -9.495
  138   1HD2  ASN  18          1HD2      ASN  18  -7.837  -3.172  -9.295
  139   2HD2  ASN  18          2HD2      ASN  18  -9.297  -2.422  -8.735
  140    H    GLU  19           H        GLU  19  -3.076  -1.536  -8.089
  141    HA   GLU  19           HA       GLU  19  -2.279  -3.681  -9.710
  142   1HB   GLU  19          1HB       GLU  19  -1.206  -1.269  -9.169
  143   2HB   GLU  19          2HB       GLU  19  -0.187  -2.268  -8.143
  144   1HG   GLU  19          1HG       GLU  19   0.963  -2.104 -10.166
  145   2HG   GLU  19          2HG       GLU  19   0.220  -3.704 -10.193
  146    H    TYR  20           H        TYR  20  -1.611  -2.988  -6.296
  147    HA   TYR  20           HA       TYR  20  -0.132  -5.265  -5.677
  148   1HB   TYR  20          1HB       TYR  20  -0.286  -3.481  -4.083
  149   2HB   TYR  20          2HB       TYR  20  -2.038  -3.609  -4.014
  150    HD1  TYR  20           HD1      TYR  20   1.102  -4.841  -2.719
  151    HD2  TYR  20           HD2      TYR  20  -3.086  -5.566  -2.880
  152    HE1  TYR  20           HE1      TYR  20   1.296  -6.353  -0.788
  153    HE2  TYR  20           HE2      TYR  20  -2.905  -7.080  -0.950
  154    HH   TYR  20           HH       TYR  20  -0.542  -7.138   1.124
  155    H    GLN  21           H        GLN  21  -3.629  -4.720  -5.500
  156    HA   GLN  21           HA       GLN  21  -4.397  -7.229  -4.560
  157   1HB   GLN  21          1HB       GLN  21  -5.975  -5.413  -4.614
  158   2HB   GLN  21          2HB       GLN  21  -5.837  -5.275  -6.361
  159   1HG   GLN  21          1HG       GLN  21  -7.218  -7.023  -6.751
  160   2HG   GLN  21          2HG       GLN  21  -6.722  -7.884  -5.294
  161   1HE2  GLN  21          1HE2      GLN  21  -7.568  -7.147  -3.259
  162   2HE2  GLN  21          2HE2      GLN  21  -9.114  -6.378  -3.198
  163    H    ARG  22           H        ARG  22  -4.342  -6.079  -7.936
  164    HA   ARG  22           HA       ARG  22  -4.990  -8.516  -9.133
  165   1HB   ARG  22          1HB       ARG  22  -5.090  -6.494 -10.418
  166   2HB   ARG  22          2HB       ARG  22  -3.381  -6.173 -10.154
  167   1HG   ARG  22          1HG       ARG  22  -2.707  -7.767 -11.677
  168   2HG   ARG  22          2HG       ARG  22  -4.219  -8.670 -11.555
  169   1HD   ARG  22          1HD       ARG  22  -5.248  -7.414 -13.110
  170   2HD   ARG  22          2HD       ARG  22  -4.507  -5.921 -12.536
  171    HE   ARG  22           HE       ARG  22  -2.811  -6.200 -14.063
  172   1HH1  ARG  22          1HH1      ARG  22  -4.700  -9.122 -13.858
  173   2HH1  ARG  22          2HH1      ARG  22  -3.954  -9.853 -15.238
  174   1HH2  ARG  22          1HH2      ARG  22  -1.824  -7.156 -15.881
  175   2HH2  ARG  22          2HH2      ARG  22  -2.319  -8.737 -16.388
  176    H    ARG  23           H        ARG  23  -1.776  -7.069  -8.597
  177    HA   ARG  23           HA       ARG  23  -0.276  -9.194  -9.616
  178   1HB   ARG  23          1HB       ARG  23   0.235  -6.851  -7.911
  179   2HB   ARG  23          2HB       ARG  23   1.350  -8.188  -7.662
  180   1HG   ARG  23          1HG       ARG  23   2.024  -6.429  -9.349
  181   2HG   ARG  23          2HG       ARG  23   2.114  -8.110  -9.878
  182   1HD   ARG  23          1HD       ARG  23   0.497  -7.844 -11.420
  183   2HD   ARG  23          2HD       ARG  23  -0.457  -6.781 -10.385
  184    HE   ARG  23           HE       ARG  23   1.612  -5.210 -11.071
  185   1HH1  ARG  23          1HH1      ARG  23  -0.538  -7.211 -12.942
  186   2HH1  ARG  23          2HH1      ARG  23  -0.452  -6.209 -14.353
  187   1HH2  ARG  23          1HH2      ARG  23   1.732  -3.884 -12.921
  188   2HH2  ARG  23          2HH2      ARG  23   0.839  -4.316 -14.340
  189    H    VAL  24           H        VAL  24  -0.665  -8.427  -6.145
  190    HA   VAL  24           HA       VAL  24   0.300 -10.759  -5.080
  191    HB   VAL  24           HB       VAL  24  -2.056  -9.189  -4.019
  192   1HG1  VAL  24          1HG1      VAL  24  -0.517 -11.475  -2.977
  193   2HG1  VAL  24          2HG1      VAL  24  -2.159 -10.947  -2.611
  194   3HG1  VAL  24          3HG1      VAL  24  -0.786 -10.154  -1.840
  195   1HG2  VAL  24          1HG2      VAL  24   0.307  -8.647  -2.586
  196   2HG2  VAL  24          2HG2      VAL  24  -0.613  -7.553  -3.617
  197   3HG2  VAL  24          3HG2      VAL  24   0.704  -8.506  -4.298
  198    H    ALA  25           H        ALA  25  -2.796 -10.213  -6.598
  199    HA   ALA  25           HA       ALA  25  -4.130 -12.526  -5.688
  200   1HB   ALA  25          1HB       ALA  25  -5.621 -11.085  -6.621
  201   2HB   ALA  25          2HB       ALA  25  -5.352 -12.135  -8.012
  202   3HB   ALA  25          3HB       ALA  25  -4.513 -10.588  -7.899
  203    H    ASP  26           H        ASP  26  -2.605 -11.910  -8.857
  204    HA   ASP  26           HA       ASP  26  -2.760 -14.570  -9.752
  205   1HB   ASP  26          1HB       ASP  26  -1.027 -12.237 -10.557
  206   2HB   ASP  26          2HB       ASP  26  -0.891 -13.807 -11.344
  207    H    GLY  27           H        GLY  27  -0.542 -12.973  -7.630
  208   1HA   GLY  27          1HA       GLY  27   0.721 -14.419  -6.121
  209   2HA   GLY  27          2HA       GLY  27   1.038 -15.465  -7.497
  210    H    GLU  28           H        GLU  28   1.215 -11.973  -7.682
  211    HA   GLU  28           HA       GLU  28   4.023 -12.200  -8.388
  212   1HB   GLU  28          1HB       GLU  28   2.168  -9.818  -8.533
  213   2HB   GLU  28          2HB       GLU  28   3.795  -9.899  -9.193
  214   1HG   GLU  28          1HG       GLU  28   2.524 -12.078 -10.314
  215   2HG   GLU  28          2HG       GLU  28   1.292 -10.817 -10.312
  216    H    ASP  29           H        ASP  29   5.680 -11.112  -7.365
  217    HA   ASP  29           HA       ASP  29   5.580 -10.825  -4.603
  218   1HB   ASP  29          1HB       ASP  29   7.710  -9.391  -5.000
  219   2HB   ASP  29          2HB       ASP  29   7.729 -11.085  -5.482
  220    HA   PRO  30           HA       PRO  30   3.200  -6.986  -4.469
  221   1HB   PRO  30          1HB       PRO  30   3.883  -7.135  -1.598
  222   2HB   PRO  30          2HB       PRO  30   2.306  -7.009  -2.377
  223   1HG   PRO  30          1HG       PRO  30   3.119  -9.297  -1.247
  224   2HG   PRO  30          2HG       PRO  30   2.134  -9.285  -2.721
  225   1HD   PRO  30          1HD       PRO  30   5.067  -9.763  -2.403
  226   2HD   PRO  30          2HD       PRO  30   3.907 -10.542  -3.500
  227    H    LYS  31           H        LYS  31   6.195  -7.464  -2.604
  228    HA   LYS  31           HA       LYS  31   6.935  -4.877  -2.103
  229   1HB   LYS  31          1HB       LYS  31   8.227  -7.407  -2.162
  230   2HB   LYS  31          2HB       LYS  31   9.264  -6.256  -2.988
  231   1HG   LYS  31          1HG       LYS  31   9.526  -4.934  -1.101
  232   2HG   LYS  31          2HG       LYS  31   8.088  -5.596  -0.319
  233   1HD   LYS  31          1HD       LYS  31  10.368  -7.418  -0.936
  234   2HD   LYS  31          2HD       LYS  31  10.498  -6.322   0.441
  235   1HE   LYS  31          1HE       LYS  31   9.097  -7.545   1.674
  236   2HE   LYS  31          2HE       LYS  31   7.936  -7.686   0.353
  237   1HZ   LYS  31          1HZ       LYS  31   8.992  -9.811   1.193
  238   2HZ   LYS  31          2HZ       LYS  31  10.413  -9.300   0.431
  239   3HZ   LYS  31          3HZ       LYS  31   9.013  -9.568  -0.480
  240    H    ASP  32           H        ASP  32   7.393  -6.697  -5.106
  241    HA   ASP  32           HA       ASP  32   8.754  -4.667  -6.528
  242   1HB   ASP  32          1HB       ASP  32   7.882  -7.282  -7.054
  243   2HB   ASP  32          2HB       ASP  32   7.044  -6.272  -8.229
  244    H    VAL  33           H        VAL  33   5.349  -5.494  -6.124
  245    HA   VAL  33           HA       VAL  33   4.237  -3.638  -7.895
  246    HB   VAL  33           HB       VAL  33   3.067  -4.566  -5.267
  247   1HG1  VAL  33          1HG1      VAL  33   2.111  -2.535  -6.674
  248   2HG1  VAL  33          2HG1      VAL  33   1.047  -3.714  -5.906
  249   3HG1  VAL  33          3HG1      VAL  33   1.411  -3.843  -7.627
  250   1HG2  VAL  33          1HG2      VAL  33   3.244  -5.833  -7.958
  251   2HG2  VAL  33          2HG2      VAL  33   1.804  -6.102  -6.977
  252   3HG2  VAL  33          3HG2      VAL  33   3.391  -6.559  -6.357
  253    H    LEU  34           H        LEU  34   5.083  -3.351  -4.457
  254    HA   LEU  34           HA       LEU  34   4.146  -0.843  -3.879
  255   1HB   LEU  34          1HB       LEU  34   6.589  -2.326  -3.005
  256   2HB   LEU  34          2HB       LEU  34   6.355  -0.671  -2.490
  257    HG   LEU  34           HG       LEU  34   5.580  -2.479  -0.886
  258   1HD1  LEU  34          1HD1      LEU  34   4.361  -0.861   0.026
  259   2HD1  LEU  34          2HD1      LEU  34   3.155  -0.967  -1.256
  260   3HD1  LEU  34          3HD1      LEU  34   4.577   0.053  -1.468
  261   1HD2  LEU  34          1HD2      LEU  34   3.209  -3.236  -1.395
  262   2HD2  LEU  34          2HD2      LEU  34   4.511  -4.036  -2.275
  263   3HD2  LEU  34          3HD2      LEU  34   3.544  -2.789  -3.066
  264    H    ASP  35           H        ASP  35   7.156  -1.691  -5.525
  265    HA   ASP  35           HA       ASP  35   8.209   0.877  -5.814
  266   1HB   ASP  35          1HB       ASP  35   9.243  -1.435  -6.402
  267   2HB   ASP  35          2HB       ASP  35   8.466  -1.209  -7.966
  268    H    ASP  36           H        ASP  36   5.813  -0.899  -7.655
  269    HA   ASP  36           HA       ASP  36   5.525   1.128  -9.683
  270   1HB   ASP  36          1HB       ASP  36   4.465  -1.550  -9.152
  271   2HB   ASP  36          2HB       ASP  36   3.258  -0.451  -9.811
  272    H    LEU  37           H        LEU  37   3.771   0.088  -6.801
  273    HA   LEU  37           HA       LEU  37   1.483   1.609  -6.930
  274   1HB   LEU  37          1HB       LEU  37   3.204   0.632  -4.707
  275   2HB   LEU  37          2HB       LEU  37   1.962   1.801  -4.322
  276    HG   LEU  37           HG       LEU  37   0.928  -0.388  -5.934
  277   1HD1  LEU  37          1HD1      LEU  37   0.988  -2.016  -4.030
  278   2HD1  LEU  37          2HD1      LEU  37   2.221  -0.998  -3.286
  279   3HD1  LEU  37          3HD1      LEU  37   2.532  -1.764  -4.843
  280   1HD2  LEU  37          1HD2      LEU  37  -0.898  -0.165  -4.557
  281   2HD2  LEU  37          2HD2      LEU  37  -0.196   1.450  -4.456
  282   3HD2  LEU  37          3HD2      LEU  37   0.075   0.288  -3.157
  283    H    GLY  38           H        GLY  38   4.743   2.589  -6.074
  284   1HA   GLY  38          1HA       GLY  38   5.711   4.652  -5.900
  285   2HA   GLY  38          2HA       GLY  38   4.319   5.294  -6.759
  286    H    LEU  39           H        LEU  39   5.103   3.972  -3.543
  287    HA   LEU  39           HA       LEU  39   3.272   5.918  -2.360
  288   1HB   LEU  39          1HB       LEU  39   4.672   3.656  -0.954
  289   2HB   LEU  39          2HB       LEU  39   3.254   4.539  -0.425
  290    HG   LEU  39           HG       LEU  39   2.250   3.562  -2.675
  291   1HD1  LEU  39          1HD1      LEU  39   3.835   2.281  -3.659
  292   2HD1  LEU  39          2HD1      LEU  39   3.177   1.063  -2.564
  293   3HD1  LEU  39          3HD1      LEU  39   4.654   1.930  -2.138
  294   1HD2  LEU  39          1HD2      LEU  39   0.966   2.319  -1.325
  295   2HD2  LEU  39          2HD2      LEU  39   1.874   3.117  -0.039
  296   3HD2  LEU  39          3HD2      LEU  39   2.349   1.510  -0.587
  297    H    LYS  40           H        LYS  40   5.962   6.584  -3.391
  298    HA   LYS  40           HA       LYS  40   7.716   7.915  -2.852
  299   1HB   LYS  40          1HB       LYS  40   5.516   8.738  -1.234
  300   2HB   LYS  40          2HB       LYS  40   6.986   8.891  -0.281
  301   1HG   LYS  40          1HG       LYS  40   6.850  10.950  -1.285
  302   2HG   LYS  40          2HG       LYS  40   7.927  10.082  -2.382
  303   1HD   LYS  40          1HD       LYS  40   5.284   9.567  -3.235
  304   2HD   LYS  40          2HD       LYS  40   5.403  11.303  -2.932
  305   1HE   LYS  40          1HE       LYS  40   6.332  11.467  -4.950
  306   2HE   LYS  40          2HE       LYS  40   7.758  10.705  -4.246
  307   1HZ   LYS  40          1HZ       LYS  40   6.210   9.729  -6.298
  308   2HZ   LYS  40          2HZ       LYS  40   5.815   8.764  -4.967
  309   3HZ   LYS  40          3HZ       LYS  40   7.426   8.900  -5.464
  310    H    ARG  41           H        ARG  41   6.884   7.135   0.508
  311    HA   ARG  41           HA       ARG  41   9.611   6.108   0.831
  312   1HB   ARG  41          1HB       ARG  41   7.631   7.382   2.683
  313   2HB   ARG  41          2HB       ARG  41   8.904   6.365   3.345
  314   1HG   ARG  41          1HG       ARG  41   9.757   8.430   1.419
  315   2HG   ARG  41          2HG       ARG  41   9.157   9.004   2.976
  316   1HD   ARG  41          1HD       ARG  41  10.737   7.351   4.050
  317   2HD   ARG  41          2HD       ARG  41  11.446   7.125   2.451
  318    HE   ARG  41           HE       ARG  41  12.541   9.104   2.719
  319   1HH1  ARG  41          1HH1      ARG  41   9.843   9.019   4.919
  320   2HH1  ARG  41          2HH1      ARG  41  10.268  10.505   5.702
  321   1HH2  ARG  41          1HH2      ARG  41  13.111  11.062   3.742
  322   2HH2  ARG  41          2HH2      ARG  41  12.126  11.667   5.032
  323    H    TYR  42           H        TYR  42   9.816   4.455   2.656
  324    HA   TYR  42           HA       TYR  42   8.051   2.230   2.015
  325   1HB   TYR  42          1HB       TYR  42  10.637   2.120   2.104
  326   2HB   TYR  42          2HB       TYR  42  10.432   2.090   3.852
  327    HD1  TYR  42           HD1      TYR  42  10.581   0.132   0.908
  328    HD2  TYR  42           HD2      TYR  42   8.852   0.252   4.793
  329    HE1  TYR  42           HE1      TYR  42  10.224  -2.299   0.818
  330    HE2  TYR  42           HE2      TYR  42   8.490  -2.178   4.714
  331    HH   TYR  42           HH       TYR  42   9.298  -4.125   3.581
  332    H    CYS  43           H        CYS  43   8.595   4.521   4.518
  333    HA   CYS  43           HA       CYS  43   7.825   3.279   6.829
  334   1HB   CYS  43          1HB       CYS  43   6.809   5.494   7.472
  335   2HB   CYS  43          2HB       CYS  43   8.460   5.586   6.865
  336    H    CYS  44           H        CYS  44   5.901   4.028   4.051
  337    HA   CYS  44           HA       CYS  44   3.371   3.426   5.364
  338   1HB   CYS  44          1HB       CYS  44   3.521   3.634   2.403
  339   2HB   CYS  44          2HB       CYS  44   2.343   4.326   3.519
  340    H    ARG  45           H        ARG  45   5.294   2.125   2.675
  341    HA   ARG  45           HA       ARG  45   3.876  -0.085   2.000
  342   1HB   ARG  45          1HB       ARG  45   6.874  -0.137   2.312
  343   2HB   ARG  45          2HB       ARG  45   5.901  -1.078   1.192
  344   1HG   ARG  45          1HG       ARG  45   5.260   1.030   0.057
  345   2HG   ARG  45          2HG       ARG  45   6.378   1.891   1.113
  346   1HD   ARG  45          1HD       ARG  45   8.234   0.584   0.266
  347   2HD   ARG  45          2HD       ARG  45   7.137  -0.359  -0.740
  348    HE   ARG  45           HE       ARG  45   6.712   2.207  -1.533
  349   1HH1  ARG  45          1HH1      ARG  45   9.529   0.182  -1.238
  350   2HH1  ARG  45          2HH1      ARG  45  10.380   0.953  -2.536
  351   1HH2  ARG  45          1HH2      ARG  45   7.821   3.228  -3.243
  352   2HH2  ARG  45          2HH2      ARG  45   9.407   2.686  -3.676
  353    H    ARG  46           H        ARG  46   6.448  -0.098   4.482
  354    HA   ARG  46           HA       ARG  46   6.474  -2.647   5.309
  355   1HB   ARG  46          1HB       ARG  46   7.067  -1.911   7.537
  356   2HB   ARG  46          2HB       ARG  46   7.800  -0.843   6.346
  357   1HG   ARG  46          1HG       ARG  46   5.812   0.693   6.742
  358   2HG   ARG  46          2HG       ARG  46   5.470  -0.307   8.156
  359   1HD   ARG  46          1HD       ARG  46   8.005   0.118   8.675
  360   2HD   ARG  46          2HD       ARG  46   7.768   1.517   7.630
  361    HE   ARG  46           HE       ARG  46   5.701   1.528   9.479
  362   1HH1  ARG  46          1HH1      ARG  46   9.174   1.777   9.479
  363   2HH1  ARG  46          2HH1      ARG  46   9.233   2.765  10.900
  364   1HH2  ARG  46          1HH2      ARG  46   5.766   2.830  11.351
  365   2HH2  ARG  46          2HH2      ARG  46   7.296   3.364  11.964
  366    H    MET  47           H        MET  47   3.942  -0.334   6.127
  367    HA   MET  47           HA       MET  47   2.545  -2.244   7.777
  368   1HB   MET  47          1HB       MET  47   1.534   0.398   6.727
  369   2HB   MET  47          2HB       MET  47   0.901  -0.515   8.088
  370   1HG   MET  47          1HG       MET  47   3.039  -0.151   9.271
  371   2HG   MET  47          2HG       MET  47   3.572   0.859   7.928
  372   1HE   MET  47          1HE       MET  47  -0.047   1.810   7.877
  373   2HE   MET  47          2HE       MET  47   1.342   2.416   6.972
  374   3HE   MET  47          3HE       MET  47   0.489   3.478   8.094
  375    H    LEU  48           H        LEU  48   2.295  -0.899   4.547
  376    HA   LEU  48           HA       LEU  48  -0.210  -2.064   3.918
  377   1HB   LEU  48          1HB       LEU  48   1.919  -1.261   1.944
  378   2HB   LEU  48          2HB       LEU  48   0.187  -1.340   1.679
  379    HG   LEU  48           HG       LEU  48   1.257   0.539   3.738
  380   1HD1  LEU  48          1HD1      LEU  48   2.172   0.605   1.113
  381   2HD1  LEU  48          2HD1      LEU  48   2.251   1.908   2.299
  382   3HD1  LEU  48          3HD1      LEU  48   0.890   1.815   1.184
  383   1HD2  LEU  48          1HD2      LEU  48  -1.192   0.209   2.110
  384   2HD2  LEU  48          2HD2      LEU  48  -0.707   1.844   2.566
  385   3HD2  LEU  48          3HD2      LEU  48  -1.007   0.633   3.813
  386    H    ILE  49           H        ILE  49   2.982  -2.851   2.494
  387    HA   ILE  49           HA       ILE  49   2.322  -5.166   1.211
  388    HB   ILE  49           HB       ILE  49   4.709  -5.951   1.808
  389   1HG1  ILE  49          1HG1      ILE  49   5.440  -3.200   2.465
  390   2HG1  ILE  49          2HG1      ILE  49   4.463  -3.963   3.718
  391   1HG2  ILE  49          1HG2      ILE  49   5.675  -4.209   0.288
  392   2HG2  ILE  49          2HG2      ILE  49   4.120  -3.379   0.360
  393   3HG2  ILE  49          3HG2      ILE  49   4.223  -5.003  -0.320
  394   1HD1  ILE  49          1HD1      ILE  49   7.079  -4.945   2.612
  395   2HD1  ILE  49          2HD1      ILE  49   6.071  -5.847   3.744
  396   3HD1  ILE  49          3HD1      ILE  49   6.769  -4.301   4.225
  397    H    SER  50           H        SER  50   2.824  -4.726   4.639
  398    HA   SER  50           HA       SER  50   2.684  -7.571   5.182
  399   1HB   SER  50          1HB       SER  50   2.739  -5.264   7.141
  400   2HB   SER  50          2HB       SER  50   3.054  -6.963   7.498
  401    HG   SER  50           HG       SER  50   4.775  -5.112   6.700
  402    H    HIS  51           H        HIS  51   0.802  -4.710   6.208
  403    HA   HIS  51           HA       HIS  51  -1.343  -6.348   7.178
  404   1HB   HIS  51          1HB       HIS  51  -0.569  -4.010   8.011
  405   2HB   HIS  51          2HB       HIS  51  -1.573  -3.390   6.706
  406    HD2  HIS  51           HD2      HIS  51  -4.353  -4.334   6.920
  407    HE1  HIS  51           HE1      HIS  51  -4.009  -4.564  11.133
  408    HE2  HIS  51           HE2      HIS  51  -5.621  -4.527   9.175
  409    H    VAL  52           H        VAL  52  -1.116  -3.963   4.531
  410    HA   VAL  52           HA       VAL  52  -3.593  -4.061   3.482
  411    HB   VAL  52           HB       VAL  52  -1.184  -3.066   2.614
  412   1HG1  VAL  52          1HG1      VAL  52  -2.173  -4.911   0.449
  413   2HG1  VAL  52          2HG1      VAL  52  -0.624  -5.012   1.287
  414   3HG1  VAL  52          3HG1      VAL  52  -0.973  -3.635   0.240
  415   1HG2  VAL  52          1HG2      VAL  52  -3.834  -2.516   2.324
  416   2HG2  VAL  52          2HG2      VAL  52  -3.328  -2.793   0.657
  417   3HG2  VAL  52          3HG2      VAL  52  -2.512  -1.572   1.635
  418    H    GLU  53           H        GLU  53  -4.875  -5.729   3.198
  419    HA   GLU  53           HA       GLU  53  -3.779  -8.191   2.019
  420   1HB   GLU  53          1HB       GLU  53  -5.599  -7.691   4.218
  421   2HB   GLU  53          2HB       GLU  53  -6.318  -8.769   3.030
  422   1HG   GLU  53          1HG       GLU  53  -4.089 -10.050   3.179
  423   2HG   GLU  53          2HG       GLU  53  -3.856  -9.146   4.673
  424    H    THR  54           H        THR  54  -6.461  -5.906   1.879
  425    HA   THR  54           HA       THR  54  -8.056  -5.498   0.301
  426    HB   THR  54           HB       THR  54  -7.371  -5.469  -1.984
  427    HG1  THR  54           HG1      THR  54  -5.367  -6.587  -2.565
  428   1HG2  THR  54          1HG2      THR  54  -5.364  -4.210  -1.887
  429   2HG2  THR  54          2HG2      THR  54  -4.828  -5.044  -0.427
  430   3HG2  THR  54          3HG2      THR  54  -6.194  -3.931  -0.356
  431    H    TRP  55           H        TRP  55  -9.409  -7.177   1.208
  432    HA   TRP  55           HA       TRP  55  -9.407  -9.779  -0.057
  433   1HB   TRP  55          1HB       TRP  55  -9.954  -9.396   2.378
  434   2HB   TRP  55          2HB       TRP  55 -11.457  -8.644   1.854
  435    HD1  TRP  55           HD1      TRP  55 -13.415 -10.260   2.059
  436    HE1  TRP  55           HE1      TRP  55 -13.764 -12.796   1.782
  437    HE3  TRP  55           HE3      TRP  55  -8.635 -11.611   0.846
  438    HZ2  TRP  55           HZ2      TRP  55 -12.217 -15.068   1.134
  439    HZ3  TRP  55           HZ3      TRP  55  -8.153 -13.983   0.411
  440    HH2  TRP  55           HH2      TRP  55  -9.908 -15.676   0.553
  Start of MODEL    4
    1    H    MET   1           H        MET   1  -8.105   4.530   0.556
    2    HA   MET   1           HA       MET   1  -6.360   3.261   2.293
    3   1HB   MET   1          1HB       MET   1  -4.882   5.183   1.976
    4   2HB   MET   1          2HB       MET   1  -5.627   4.711   0.458
    5   1HG   MET   1          1HG       MET   1  -5.867   6.968   0.337
    6   2HG   MET   1          2HG       MET   1  -7.389   6.536   1.113
    7   1HE   MET   1          1HE       MET   1  -3.719   7.227   1.808
    8   2HE   MET   1          2HE       MET   1  -4.002   6.451   3.369
    9   3HE   MET   1          3HE       MET   1  -3.700   8.187   3.286
   10    H    ILE   2           H        ILE   2  -5.151   4.523   4.115
   11    HA   ILE   2           HA       ILE   2  -7.212   5.386   6.006
   12    HB   ILE   2           HB       ILE   2  -4.408   4.668   6.769
   13   1HG1  ILE   2          1HG1      ILE   2  -6.745   2.760   6.579
   14   2HG1  ILE   2          2HG1      ILE   2  -5.413   2.819   5.426
   15   1HG2  ILE   2          1HG2      ILE   2  -5.367   4.175   8.916
   16   2HG2  ILE   2          2HG2      ILE   2  -6.990   4.487   8.297
   17   3HG2  ILE   2          3HG2      ILE   2  -5.822   5.805   8.420
   18   1HD1  ILE   2          1HD1      ILE   2  -4.919   1.057   6.886
   19   2HD1  ILE   2          2HD1      ILE   2  -5.344   2.010   8.309
   20   3HD1  ILE   2          3HD1      ILE   2  -3.885   2.394   7.393
   21    HA   PRO   3           HA       PRO   3  -5.478   9.509   5.929
   22   1HB   PRO   3          1HB       PRO   3  -6.873  10.586   7.918
   23   2HB   PRO   3          2HB       PRO   3  -7.707  10.063   6.445
   24   1HG   PRO   3          1HG       PRO   3  -7.371   8.585   9.049
   25   2HG   PRO   3          2HG       PRO   3  -8.874   8.902   8.146
   26   1HD   PRO   3          1HD       PRO   3  -7.536   6.559   7.922
   27   2HD   PRO   3          2HD       PRO   3  -8.400   7.280   6.549
   28    H    VAL   4           H        VAL   4  -4.425  11.014   7.581
   29    HA   VAL   4           HA       VAL   4  -2.888  11.396   9.221
   30    HB   VAL   4           HB       VAL   4  -4.666   9.303  10.376
   31   1HG1  VAL   4          1HG1      VAL   4  -1.929   9.861  11.447
   32   2HG1  VAL   4          2HG1      VAL   4  -2.825   8.340  11.384
   33   3HG1  VAL   4          3HG1      VAL   4  -3.262   9.577  12.567
   34   1HG2  VAL   4          1HG2      VAL   4  -5.057  11.004  12.050
   35   2HG2  VAL   4          2HG2      VAL   4  -5.208  11.692  10.433
   36   3HG2  VAL   4          3HG2      VAL   4  -3.755  11.992  11.386
   37    H    ARG   5           H        ARG   5  -3.033   7.875   9.521
   38    HA   ARG   5           HA       ARG   5  -0.297   7.446   9.656
   39   1HB   ARG   5          1HB       ARG   5  -2.572   5.905   9.835
   40   2HB   ARG   5          2HB       ARG   5  -1.801   5.274   8.384
   41   1HG   ARG   5          1HG       ARG   5  -1.053   3.970  10.205
   42   2HG   ARG   5          2HG       ARG   5   0.294   5.004   9.733
   43   1HD   ARG   5          1HD       ARG   5   0.427   5.628  11.864
   44   2HD   ARG   5          2HD       ARG   5  -1.086   6.498  11.616
   45    HE   ARG   5           HE       ARG   5  -2.096   4.978  12.972
   46   1HH1  ARG   5          1HH1      ARG   5   0.783   3.528  11.655
   47   2HH1  ARG   5          2HH1      ARG   5   0.621   2.065  12.570
   48   1HH2  ARG   5          1HH2      ARG   5  -2.321   3.056  14.181
   49   2HH2  ARG   5          2HH2      ARG   5  -1.144   1.797  14.005
   50    H    CYS   6           H        CYS   6   0.724   5.783   8.003
   51    HA   CYS   6           HA       CYS   6   1.373   7.187   5.668
   52   1HB   CYS   6          1HB       CYS   6   1.692   4.264   6.366
   53   2HB   CYS   6          2HB       CYS   6   2.437   5.027   4.969
   54    H    LEU   7           H        LEU   7   1.237   5.347   3.613
   55    HA   LEU   7           HA       LEU   7  -0.152   4.245   2.124
   56   1HB   LEU   7          1HB       LEU   7  -2.453   5.349   3.717
   57   2HB   LEU   7          2HB       LEU   7  -2.592   4.323   2.326
   58    HG   LEU   7           HG       LEU   7  -2.418   2.477   3.559
   59   1HD1  LEU   7          1HD1      LEU   7   0.117   3.019   3.743
   60   2HD1  LEU   7          2HD1      LEU   7  -0.601   1.847   4.845
   61   3HD1  LEU   7          3HD1      LEU   7  -0.286   3.491   5.395
   62   1HD2  LEU   7          1HD2      LEU   7  -3.475   2.711   5.495
   63   2HD2  LEU   7          2HD2      LEU   7  -3.480   4.433   5.101
   64   3HD2  LEU   7          3HD2      LEU   7  -2.232   3.770   6.161
   65    H    SER   8           H        SER   8   1.003   6.906   2.216
   66    HA   SER   8           HA       SER   8   0.185   7.912  -0.213
   67   1HB   SER   8          1HB       SER   8  -1.379   8.968   2.101
   68   2HB   SER   8          2HB       SER   8  -0.901  10.105   0.841
   69    HG   SER   8           HG       SER   8  -2.883   9.246   0.292
   70    H    CYS   9           H        CYS   9   0.678   9.700   2.820
   71    HA   CYS   9           HA       CYS   9   2.282  11.181   3.463
   72   1HB   CYS   9          1HB       CYS   9   3.905   9.043   2.087
   73   2HB   CYS   9          2HB       CYS   9   4.649  10.383   2.953
   74    H    GLY  10           H        GLY  10   1.078  11.481   0.676
   75   1HA   GLY  10          1HA       GLY  10   2.006  13.850  -0.124
   76   2HA   GLY  10          2HA       GLY  10   3.234  12.779  -0.781
   77    H    LYS  11           H        LYS  11   1.340  10.620  -1.325
   78    HA   LYS  11           HA       LYS  11  -0.388  11.822  -3.360
   79   1HB   LYS  11          1HB       LYS  11   2.083  10.483  -3.911
   80   2HB   LYS  11          2HB       LYS  11   0.755   9.521  -4.550
   81   1HG   LYS  11          1HG       LYS  11   1.381  10.937  -6.303
   82   2HG   LYS  11          2HG       LYS  11  -0.073  11.674  -5.626
   83   1HD   LYS  11          1HD       LYS  11   1.076  13.423  -4.695
   84   2HD   LYS  11          2HD       LYS  11   2.575  12.503  -4.583
   85   1HE   LYS  11          1HE       LYS  11   1.827  12.753  -7.329
   86   2HE   LYS  11          2HE       LYS  11   1.808  14.348  -6.576
   87   1HZ   LYS  11          1HZ       LYS  11   4.068  13.926  -5.772
   88   2HZ   LYS  11          2HZ       LYS  11   3.980  13.876  -7.461
   89   3HZ   LYS  11          3HZ       LYS  11   4.081  12.438  -6.577
   90    HA   PRO  12           HA       PRO  12  -3.118   8.479  -2.451
   91   1HB   PRO  12          1HB       PRO  12  -4.263   7.868  -4.782
   92   2HB   PRO  12          2HB       PRO  12  -4.449   9.476  -4.071
   93   1HG   PRO  12          1HG       PRO  12  -2.616   8.568  -6.262
   94   2HG   PRO  12          2HG       PRO  12  -3.591  10.045  -6.164
   95   1HD   PRO  12          1HD       PRO  12  -0.904   9.922  -5.565
   96   2HD   PRO  12          2HD       PRO  12  -2.019  11.139  -4.913
   97    H    VAL  13           H        VAL  13  -3.134   6.333  -2.099
   98    HA   VAL  13           HA       VAL  13  -1.418   4.642  -3.799
   99    HB   VAL  13           HB       VAL  13  -0.995   3.217  -1.902
  100   1HG1  VAL  13          1HG1      VAL  13   0.638   4.838  -1.967
  101   2HG1  VAL  13          2HG1      VAL  13   0.017   5.042  -0.329
  102   3HG1  VAL  13          3HG1      VAL  13  -0.492   6.144  -1.610
  103   1HG2  VAL  13          1HG2      VAL  13  -2.869   5.053  -0.417
  104   2HG2  VAL  13          2HG2      VAL  13  -1.797   3.894   0.370
  105   3HG2  VAL  13          3HG2      VAL  13  -3.068   3.326  -0.714
  106    H    SER  14           H        SER  14  -4.610   5.203  -2.739
  107    HA   SER  14           HA       SER  14  -5.657   2.595  -2.760
  108   1HB   SER  14          1HB       SER  14  -7.323   4.896  -3.698
  109   2HB   SER  14          2HB       SER  14  -7.736   3.591  -2.581
  110    HG   SER  14           HG       SER  14  -6.629   6.045  -2.080
  111    H    ALA  15           H        ALA  15  -5.334   5.025  -5.326
  112    HA   ALA  15           HA       ALA  15  -6.643   3.576  -7.353
  113   1HB   ALA  15          1HB       ALA  15  -5.433   5.051  -8.916
  114   2HB   ALA  15          2HB       ALA  15  -4.453   5.639  -7.572
  115   3HB   ALA  15          3HB       ALA  15  -6.190   5.939  -7.595
  116    H    TYR  16           H        TYR  16  -3.403   3.440  -6.064
  117    HA   TYR  16           HA       TYR  16  -2.459   1.685  -8.167
  118   1HB   TYR  16          1HB       TYR  16  -1.263   3.099  -5.842
  119   2HB   TYR  16          2HB       TYR  16  -0.469   1.626  -6.380
  120    HD1  TYR  16           HD1      TYR  16  -0.814   5.120  -6.915
  121    HD2  TYR  16           HD2      TYR  16   0.134   1.470  -8.888
  122    HE1  TYR  16           HE1      TYR  16   0.313   6.385  -8.696
  123    HE2  TYR  16           HE2      TYR  16   1.266   2.726 -10.676
  124    HH   TYR  16           HH       TYR  16   2.118   5.951 -10.404
  125    H    PHE  17           H        PHE  17  -3.790   1.470  -4.972
  126    HA   PHE  17           HA       PHE  17  -2.863  -0.928  -4.017
  127   1HB   PHE  17          1HB       PHE  17  -5.456   0.509  -3.782
  128   2HB   PHE  17          2HB       PHE  17  -5.423  -1.170  -3.264
  129    HD1  PHE  17           HD1      PHE  17  -6.047  -0.267  -1.025
  130    HD2  PHE  17           HD2      PHE  17  -2.323   0.630  -2.881
  131    HE1  PHE  17           HE1      PHE  17  -5.131   0.419   1.151
  132    HE2  PHE  17           HE2      PHE  17  -1.401   1.317  -0.706
  133    HZ   PHE  17           HZ       PHE  17  -2.805   1.212   1.314
  134    H    ASN  18           H        ASN  18  -5.169  -0.379  -6.603
  135    HA   ASN  18           HA       ASN  18  -6.177  -2.966  -6.911
  136   1HB   ASN  18          1HB       ASN  18  -5.711  -0.699  -8.834
  137   2HB   ASN  18          2HB       ASN  18  -6.320  -2.250  -9.404
  138   1HD2  ASN  18          1HD2      ASN  18  -8.384  -2.888  -8.883
  139   2HD2  ASN  18          2HD2      ASN  18  -9.547  -1.809  -8.184
  140    H    GLU  19           H        GLU  19  -3.141  -1.523  -7.859
  141    HA   GLU  19           HA       GLU  19  -2.240  -3.598  -9.567
  142   1HB   GLU  19          1HB       GLU  19  -1.334  -1.130  -9.041
  143   2HB   GLU  19          2HB       GLU  19  -0.273  -2.033  -7.971
  144   1HG   GLU  19          1HG       GLU  19  -0.508  -2.203 -10.951
  145   2HG   GLU  19          2HG       GLU  19   0.907  -1.809  -9.975
  146    H    TYR  20           H        TYR  20  -1.564  -2.848  -6.155
  147    HA   TYR  20           HA       TYR  20   0.001  -5.074  -5.545
  148   1HB   TYR  20          1HB       TYR  20  -0.172  -3.286  -3.960
  149   2HB   TYR  20          2HB       TYR  20  -1.918  -3.471  -3.846
  150    HD1  TYR  20           HD1      TYR  20  -2.839  -5.575  -2.780
  151    HD2  TYR  20           HD2      TYR  20   1.265  -4.492  -2.544
  152    HE1  TYR  20           HE1      TYR  20  -2.557  -7.089  -0.864
  153    HE2  TYR  20           HE2      TYR  20   1.561  -6.002  -0.625
  154    HH   TYR  20           HH       TYR  20  -0.807  -7.140   1.199
  155    H    GLN  21           H        GLN  21  -3.506  -4.636  -5.351
  156    HA   GLN  21           HA       GLN  21  -4.123  -7.220  -4.412
  157   1HB   GLN  21          1HB       GLN  21  -5.761  -5.464  -4.236
  158   2HB   GLN  21          2HB       GLN  21  -5.757  -5.215  -5.976
  159   1HG   GLN  21          1HG       GLN  21  -6.909  -7.200  -6.382
  160   2HG   GLN  21          2HG       GLN  21  -6.593  -7.822  -4.763
  161   1HE2  GLN  21          1HE2      GLN  21  -7.361  -5.982  -3.075
  162   2HE2  GLN  21          2HE2      GLN  21  -9.020  -5.547  -3.282
  163    H    ARG  22           H        ARG  22  -3.792  -5.881  -7.657
  164    HA   ARG  22           HA       ARG  22  -4.732  -8.120  -9.083
  165   1HB   ARG  22          1HB       ARG  22  -4.517  -5.981 -10.175
  166   2HB   ARG  22          2HB       ARG  22  -2.788  -5.942  -9.860
  167   1HG   ARG  22          1HG       ARG  22  -2.396  -7.728 -11.397
  168   2HG   ARG  22          2HG       ARG  22  -4.129  -7.999 -11.599
  169   1HD   ARG  22          1HD       ARG  22  -4.201  -5.553 -12.394
  170   2HD   ARG  22          2HD       ARG  22  -2.453  -5.708 -12.568
  171    HE   ARG  22           HE       ARG  22  -2.783  -7.009 -14.424
  172   1HH1  ARG  22          1HH1      ARG  22  -5.783  -6.718 -12.678
  173   2HH1  ARG  22          2HH1      ARG  22  -6.729  -7.462 -13.923
  174   1HH2  ARG  22          1HH2      ARG  22  -4.021  -7.989 -16.069
  175   2HH2  ARG  22          2HH2      ARG  22  -5.728  -8.185 -15.851
  176    H    ARG  23           H        ARG  23  -1.393  -7.101  -8.345
  177    HA   ARG  23           HA       ARG  23  -0.133  -9.351  -9.445
  178   1HB   ARG  23          1HB       ARG  23   0.620  -7.078  -7.805
  179   2HB   ARG  23          2HB       ARG  23   1.481  -8.534  -7.318
  180   1HG   ARG  23          1HG       ARG  23   2.767  -7.319  -8.957
  181   2HG   ARG  23          2HG       ARG  23   2.219  -8.850  -9.641
  182   1HD   ARG  23          1HD       ARG  23   0.291  -6.762 -10.110
  183   2HD   ARG  23          2HD       ARG  23   1.880  -6.301 -10.722
  184    HE   ARG  23           HE       ARG  23   1.235  -8.948 -11.497
  185   1HH1  ARG  23          1HH1      ARG  23   0.496  -5.619 -12.199
  186   2HH1  ARG  23          2HH1      ARG  23   0.066  -5.927 -13.848
  187   1HH2  ARG  23          1HH2      ARG  23   0.672  -9.366 -13.666
  188   2HH2  ARG  23          2HH2      ARG  23   0.166  -8.059 -14.683
  189    H    VAL  24           H        VAL  24  -0.640  -8.647  -5.980
  190    HA   VAL  24           HA       VAL  24   0.110 -11.057  -4.919
  191    HB   VAL  24           HB       VAL  24  -2.220  -9.390  -3.963
  192   1HG1  VAL  24          1HG1      VAL  24  -1.108 -11.842  -3.012
  193   2HG1  VAL  24          2HG1      VAL  24  -2.446 -10.900  -2.355
  194   3HG1  VAL  24          3HG1      VAL  24  -0.795 -10.567  -1.834
  195   1HG2  VAL  24          1HG2      VAL  24   0.489  -8.695  -4.196
  196   2HG2  VAL  24          2HG2      VAL  24   0.209  -9.025  -2.487
  197   3HG2  VAL  24          3HG2      VAL  24  -0.778  -7.828  -3.326
  198    H    ALA  25           H        ALA  25  -2.859 -10.281  -6.592
  199    HA   ALA  25           HA       ALA  25  -4.379 -12.529  -5.823
  200   1HB   ALA  25          1HB       ALA  25  -5.456 -10.639  -6.842
  201   2HB   ALA  25          2HB       ALA  25  -5.704 -12.051  -7.869
  202   3HB   ALA  25          3HB       ALA  25  -4.506 -10.838  -8.314
  203    H    ASP  26           H        ASP  26  -2.226 -11.952  -8.580
  204    HA   ASP  26           HA       ASP  26  -2.592 -14.585  -9.657
  205   1HB   ASP  26          1HB       ASP  26  -1.938 -12.446 -10.931
  206   2HB   ASP  26          2HB       ASP  26  -0.311 -12.730 -10.321
  207    H    GLY  27           H        GLY  27  -0.265 -13.005  -7.552
  208   1HA   GLY  27          1HA       GLY  27   0.762 -14.519  -5.885
  209   2HA   GLY  27          2HA       GLY  27   1.073 -15.619  -7.219
  210    H    GLU  28           H        GLU  28   1.508 -12.137  -7.402
  211    HA   GLU  28           HA       GLU  28   4.330 -12.577  -7.983
  212   1HB   GLU  28          1HB       GLU  28   2.845  -9.963  -8.185
  213   2HB   GLU  28          2HB       GLU  28   4.323 -10.446  -9.008
  214   1HG   GLU  28          1HG       GLU  28   2.666 -12.329  -9.943
  215   2HG   GLU  28          2HG       GLU  28   1.515 -11.023  -9.673
  216    H    ASP  29           H        ASP  29   5.874 -10.877  -7.179
  217    HA   ASP  29           HA       ASP  29   5.713 -10.755  -4.320
  218   1HB   ASP  29          1HB       ASP  29   7.740 -10.242  -6.386
  219   2HB   ASP  29          2HB       ASP  29   7.857  -9.181  -4.986
  220    HA   PRO  30           HA       PRO  30   3.342  -6.902  -4.429
  221   1HB   PRO  30          1HB       PRO  30   4.057  -6.948  -1.550
  222   2HB   PRO  30          2HB       PRO  30   2.482  -6.761  -2.320
  223   1HG   PRO  30          1HG       PRO  30   3.163  -9.054  -1.133
  224   2HG   PRO  30          2HG       PRO  30   2.198  -9.036  -2.620
  225   1HD   PRO  30          1HD       PRO  30   5.092  -9.668  -2.243
  226   2HD   PRO  30          2HD       PRO  30   3.913 -10.390  -3.356
  227    H    LYS  31           H        LYS  31   6.409  -7.342  -2.702
  228    HA   LYS  31           HA       LYS  31   7.136  -4.729  -2.244
  229   1HB   LYS  31          1HB       LYS  31   8.465  -7.275  -2.402
  230   2HB   LYS  31          2HB       LYS  31   9.470  -6.032  -3.128
  231   1HG   LYS  31          1HG       LYS  31   8.255  -5.316  -0.546
  232   2HG   LYS  31          2HG       LYS  31   9.447  -6.619  -0.499
  233   1HD   LYS  31          1HD       LYS  31  10.275  -4.348  -2.136
  234   2HD   LYS  31          2HD       LYS  31  10.013  -3.935  -0.440
  235   1HE   LYS  31          1HE       LYS  31  11.512  -5.744   0.234
  236   2HE   LYS  31          2HE       LYS  31  11.770  -6.165  -1.459
  237   1HZ   LYS  31          1HZ       LYS  31  13.119  -4.253   0.082
  238   2HZ   LYS  31          2HZ       LYS  31  12.307  -3.442  -1.161
  239   3HZ   LYS  31          3HZ       LYS  31  13.393  -4.685  -1.530
  240    H    ASP  32           H        ASP  32   7.318  -6.584  -5.229
  241    HA   ASP  32           HA       ASP  32   8.646  -4.579  -6.757
  242   1HB   ASP  32          1HB       ASP  32   7.558  -7.210  -7.211
  243   2HB   ASP  32          2HB       ASP  32   7.034  -6.115  -8.485
  244    H    VAL  33           H        VAL  33   5.292  -5.420  -6.086
  245    HA   VAL  33           HA       VAL  33   4.030  -3.631  -7.845
  246    HB   VAL  33           HB       VAL  33   3.075  -4.493  -5.109
  247   1HG1  VAL  33          1HG1      VAL  33   2.006  -2.651  -6.997
  248   2HG1  VAL  33          2HG1      VAL  33   1.327  -3.169  -5.455
  249   3HG1  VAL  33          3HG1      VAL  33   0.951  -4.064  -6.929
  250   1HG2  VAL  33          1HG2      VAL  33   1.730  -6.154  -6.438
  251   2HG2  VAL  33          2HG2      VAL  33   3.467  -6.460  -6.383
  252   3HG2  VAL  33          3HG2      VAL  33   2.741  -5.747  -7.824
  253    H    LEU  34           H        LEU  34   5.159  -3.252  -4.506
  254    HA   LEU  34           HA       LEU  34   4.262  -0.725  -3.922
  255   1HB   LEU  34          1HB       LEU  34   6.748  -2.212  -3.184
  256   2HB   LEU  34          2HB       LEU  34   6.563  -0.544  -2.689
  257    HG   LEU  34           HG       LEU  34   5.882  -2.345  -1.012
  258   1HD1  LEU  34          1HD1      LEU  34   3.533  -0.621  -1.356
  259   2HD1  LEU  34          2HD1      LEU  34   5.083   0.218  -1.371
  260   3HD1  LEU  34          3HD1      LEU  34   4.637  -0.783   0.011
  261   1HD2  LEU  34          1HD2      LEU  34   4.632  -3.872  -2.259
  262   2HD2  LEU  34          2HD2      LEU  34   3.680  -2.602  -3.030
  263   3HD2  LEU  34          3HD2      LEU  34   3.427  -2.981  -1.329
  264    H    ASP  35           H        ASP  35   7.228  -1.604  -5.667
  265    HA   ASP  35           HA       ASP  35   8.189   0.975  -6.112
  266   1HB   ASP  35          1HB       ASP  35   9.170  -1.425  -6.693
  267   2HB   ASP  35          2HB       ASP  35   8.468  -1.072  -8.269
  268    H    ASP  36           H        ASP  36   5.672  -0.874  -7.649
  269    HA   ASP  36           HA       ASP  36   5.282   0.987  -9.823
  270   1HB   ASP  36          1HB       ASP  36   4.452  -1.669  -9.204
  271   2HB   ASP  36          2HB       ASP  36   3.003  -0.696  -9.428
  272    H    LEU  37           H        LEU  37   3.635   0.117  -6.816
  273    HA   LEU  37           HA       LEU  37   1.403   1.723  -6.922
  274   1HB   LEU  37          1HB       LEU  37   3.175   0.834  -4.676
  275   2HB   LEU  37          2HB       LEU  37   1.830   1.908  -4.355
  276    HG   LEU  37           HG       LEU  37   1.080  -0.452  -5.915
  277   1HD1  LEU  37          1HD1      LEU  37   2.411  -0.724  -3.249
  278   2HD1  LEU  37          2HD1      LEU  37   2.569  -1.731  -4.688
  279   3HD1  LEU  37          3HD1      LEU  37   1.103  -1.814  -3.711
  280   1HD2  LEU  37          1HD2      LEU  37  -0.883  -0.098  -4.905
  281   2HD2  LEU  37          2HD2      LEU  37  -0.181   1.437  -4.390
  282   3HD2  LEU  37          3HD2      LEU  37  -0.144   0.041  -3.309
  283    H    GLY  38           H        GLY  38   4.578   2.591  -5.555
  284   1HA   GLY  38          1HA       GLY  38   5.643   4.667  -5.990
  285   2HA   GLY  38          2HA       GLY  38   4.073   5.374  -6.335
  286    H    LEU  39           H        LEU  39   5.388   3.575  -3.544
  287    HA   LEU  39           HA       LEU  39   4.740   5.913  -1.879
  288   1HB   LEU  39          1HB       LEU  39   4.504   3.349  -0.496
  289   2HB   LEU  39          2HB       LEU  39   3.445   4.743  -0.468
  290    HG   LEU  39           HG       LEU  39   2.550   3.960  -2.706
  291   1HD1  LEU  39          1HD1      LEU  39   3.801   2.394  -3.697
  292   2HD1  LEU  39          2HD1      LEU  39   2.977   1.265  -2.621
  293   3HD1  LEU  39          3HD1      LEU  39   4.561   1.905  -2.186
  294   1HD2  LEU  39          1HD2      LEU  39   2.017   1.810  -0.746
  295   2HD2  LEU  39          2HD2      LEU  39   0.896   2.810  -1.669
  296   3HD2  LEU  39          3HD2      LEU  39   1.694   3.468  -0.241
  297    H    LYS  40           H        LYS  40   7.108   6.223  -2.382
  298    HA   LYS  40           HA       LYS  40   9.133   4.580  -1.416
  299   1HB   LYS  40          1HB       LYS  40   8.978   7.583  -1.684
  300   2HB   LYS  40          2HB       LYS  40  10.454   6.743  -1.235
  301   1HG   LYS  40          1HG       LYS  40   8.987   5.997  -3.730
  302   2HG   LYS  40          2HG       LYS  40  10.074   7.388  -3.701
  303   1HD   LYS  40          1HD       LYS  40  11.687   5.605  -2.562
  304   2HD   LYS  40          2HD       LYS  40  10.683   4.492  -3.494
  305   1HE   LYS  40          1HE       LYS  40  11.422   6.748  -5.109
  306   2HE   LYS  40          2HE       LYS  40  12.860   6.010  -4.402
  307   1HZ   LYS  40          1HZ       LYS  40  11.037   4.964  -6.396
  308   2HZ   LYS  40          2HZ       LYS  40  11.525   3.852  -5.219
  309   3HZ   LYS  40          3HZ       LYS  40  12.682   4.649  -6.160
  310    H    ARG  41           H        ARG  41  10.647   5.845   0.440
  311    HA   ARG  41           HA       ARG  41  10.888   6.458   2.638
  312   1HB   ARG  41          1HB       ARG  41   7.886   6.261   2.940
  313   2HB   ARG  41          2HB       ARG  41   9.013   6.964   4.080
  314   1HG   ARG  41          1HG       ARG  41   9.317   8.863   2.833
  315   2HG   ARG  41          2HG       ARG  41   8.903   8.063   1.316
  316   1HD   ARG  41          1HD       ARG  41   6.703   8.465   1.557
  317   2HD   ARG  41          2HD       ARG  41   6.735   8.157   3.293
  318    HE   ARG  41           HE       ARG  41   6.916  10.404   3.633
  319   1HH1  ARG  41          1HH1      ARG  41   7.884   9.691   0.365
  320   2HH1  ARG  41          2HH1      ARG  41   8.055  11.355  -0.086
  321   1HH2  ARG  41          1HH2      ARG  41   7.139  12.599   3.050
  322   2HH2  ARG  41          2HH2      ARG  41   7.632  13.008   1.441
  323    H    TYR  42           H        TYR  42   8.362   4.017   2.112
  324    HA   TYR  42           HA       TYR  42   8.406   1.772   2.641
  325   1HB   TYR  42          1HB       TYR  42  10.974   2.088   2.971
  326   2HB   TYR  42          2HB       TYR  42  10.572   2.157   4.684
  327    HD1  TYR  42           HD1      TYR  42   9.161   0.174   5.612
  328    HD2  TYR  42           HD2      TYR  42  11.342   0.033   1.962
  329    HE1  TYR  42           HE1      TYR  42   9.161  -2.285   5.711
  330    HE2  TYR  42           HE2      TYR  42  11.346  -2.424   2.052
  331    HH   TYR  42           HH       TYR  42   9.735  -4.227   3.214
  332    H    CYS  43           H        CYS  43   8.391   4.392   4.891
  333    HA   CYS  43           HA       CYS  43   7.447   3.183   7.206
  334   1HB   CYS  43          1HB       CYS  43   6.292   5.390   7.608
  335   2HB   CYS  43          2HB       CYS  43   8.009   5.513   7.240
  336    H    CYS  44           H        CYS  44   5.906   3.883   4.175
  337    HA   CYS  44           HA       CYS  44   3.242   3.206   5.110
  338   1HB   CYS  44          1HB       CYS  44   3.973   3.367   2.206
  339   2HB   CYS  44          2HB       CYS  44   2.487   3.869   3.009
  340    H    ARG  45           H        ARG  45   5.435   1.894   2.621
  341    HA   ARG  45           HA       ARG  45   4.149  -0.393   1.937
  342   1HB   ARG  45          1HB       ARG  45   7.117  -0.418   2.435
  343   2HB   ARG  45          2HB       ARG  45   6.214  -1.279   1.199
  344   1HG   ARG  45          1HG       ARG  45   5.611   1.045   0.301
  345   2HG   ARG  45          2HG       ARG  45   6.935   1.622   1.316
  346   1HD   ARG  45          1HD       ARG  45   8.489   0.153   0.179
  347   2HD   ARG  45          2HD       ARG  45   7.178  -0.524  -0.789
  348    HE   ARG  45           HE       ARG  45   7.028   2.090  -1.380
  349   1HH1  ARG  45          1HH1      ARG  45   9.701  -0.140  -1.314
  350   2HH1  ARG  45          2HH1      ARG  45  10.578   0.671  -2.568
  351   1HH2  ARG  45          1HH2      ARG  45   8.173   3.167  -3.031
  352   2HH2  ARG  45          2HH2      ARG  45   9.708   2.553  -3.545
  353    H    ARG  46           H        ARG  46   6.547  -0.216   4.582
  354    HA   ARG  46           HA       ARG  46   6.476  -2.749   5.546
  355   1HB   ARG  46          1HB       ARG  46   6.890  -1.773   7.803
  356   2HB   ARG  46          2HB       ARG  46   7.893  -1.078   6.538
  357   1HG   ARG  46          1HG       ARG  46   7.223   0.937   7.132
  358   2HG   ARG  46          2HG       ARG  46   5.569   0.506   6.699
  359   1HD   ARG  46          1HD       ARG  46   5.597   1.279   8.970
  360   2HD   ARG  46          2HD       ARG  46   5.275  -0.455   8.962
  361    HE   ARG  46           HE       ARG  46   7.939  -0.372   9.293
  362   1HH1  ARG  46          1HH1      ARG  46   5.331   1.289  10.896
  363   2HH1  ARG  46          2HH1      ARG  46   6.165   1.407  12.409
  364   1HH2  ARG  46          1HH2      ARG  46   9.045  -0.221  11.281
  365   2HH2  ARG  46          2HH2      ARG  46   8.276   0.549  12.629
  366    H    MET  47           H        MET  47   4.000  -0.307   5.921
  367    HA   MET  47           HA       MET  47   2.400  -1.977   7.680
  368   1HB   MET  47          1HB       MET  47   2.625   0.589   7.799
  369   2HB   MET  47          2HB       MET  47   1.537   0.616   6.421
  370   1HG   MET  47          1HG       MET  47   0.225  -1.036   8.152
  371   2HG   MET  47          2HG       MET  47   0.984   0.125   9.240
  372   1HE   MET  47          1HE       MET  47  -0.298   3.466   7.348
  373   2HE   MET  47          2HE       MET  47   1.037   2.471   6.757
  374   3HE   MET  47          3HE       MET  47   0.912   2.853   8.476
  375    H    LEU  48           H        LEU  48   2.592  -1.038   4.335
  376    HA   LEU  48           HA       LEU  48  -0.028  -2.075   3.698
  377   1HB   LEU  48          1HB       LEU  48   2.120  -1.180   1.784
  378   2HB   LEU  48          2HB       LEU  48   0.408  -1.355   1.450
  379    HG   LEU  48           HG       LEU  48   1.286   0.565   3.557
  380   1HD1  LEU  48          1HD1      LEU  48   2.175   0.691   0.863
  381   2HD1  LEU  48          2HD1      LEU  48   2.399   1.870   2.155
  382   3HD1  LEU  48          3HD1      LEU  48   0.979   1.963   1.114
  383   1HD2  LEU  48          1HD2      LEU  48  -1.064   0.167   1.769
  384   2HD2  LEU  48          2HD2      LEU  48  -0.701   1.783   2.379
  385   3HD2  LEU  48          3HD2      LEU  48  -1.006   0.463   3.508
  386    H    ILE  49           H        ILE  49   3.179  -2.784   2.283
  387    HA   ILE  49           HA       ILE  49   2.638  -4.992   0.852
  388    HB   ILE  49           HB       ILE  49   4.920  -5.911   1.540
  389   1HG1  ILE  49          1HG1      ILE  49   5.699  -3.314   2.625
  390   2HG1  ILE  49          2HG1      ILE  49   4.592  -4.194   3.679
  391   1HG2  ILE  49          1HG2      ILE  49   4.675  -4.672  -0.474
  392   2HG2  ILE  49          2HG2      ILE  49   6.094  -4.040   0.359
  393   3HG2  ILE  49          3HG2      ILE  49   4.573  -3.147   0.405
  394   1HD1  ILE  49          1HD1      ILE  49   6.714  -4.828   4.389
  395   2HD1  ILE  49          2HD1      ILE  49   7.315  -4.997   2.740
  396   3HD1  ILE  49          3HD1      ILE  49   6.171  -6.173   3.387
  397    H    SER  50           H        SER  50   2.823  -4.903   4.344
  398    HA   SER  50           HA       SER  50   2.594  -7.776   4.587
  399   1HB   SER  50          1HB       SER  50   3.450  -5.669   6.272
  400   2HB   SER  50          2HB       SER  50   2.051  -6.407   7.055
  401    HG   SER  50           HG       SER  50   4.352  -7.314   7.314
  402    H    HIS  51           H        HIS  51   0.611  -5.087   5.858
  403    HA   HIS  51           HA       HIS  51  -1.680  -6.855   6.013
  404   1HB   HIS  51          1HB       HIS  51  -1.291  -5.353   7.870
  405   2HB   HIS  51          2HB       HIS  51  -1.315  -3.957   6.796
  406    HD2  HIS  51           HD2      HIS  51  -3.506  -2.756   7.894
  407    HE1  HIS  51           HE1      HIS  51  -6.175  -5.961   7.170
  408    HE2  HIS  51           HE2      HIS  51  -5.977  -3.550   7.931
  409    H    VAL  52           H        VAL  52  -1.618  -3.476   4.931
  410    HA   VAL  52           HA       VAL  52  -3.021  -2.436   3.430
  411    HB   VAL  52           HB       VAL  52  -0.940  -2.873   2.195
  412   1HG1  VAL  52          1HG1      VAL  52  -1.351  -5.421   2.230
  413   2HG1  VAL  52          2HG1      VAL  52  -0.574  -4.693   0.826
  414   3HG1  VAL  52          3HG1      VAL  52  -2.284  -5.121   0.763
  415   1HG2  VAL  52          1HG2      VAL  52  -3.576  -2.516   0.977
  416   2HG2  VAL  52          2HG2      VAL  52  -2.296  -2.975  -0.146
  417   3HG2  VAL  52          3HG2      VAL  52  -2.119  -1.530   0.851
  418    H    GLU  53           H        GLU  53  -5.130  -2.906   3.893
  419    HA   GLU  53           HA       GLU  53  -6.490  -5.274   3.535
  420   1HB   GLU  53          1HB       GLU  53  -7.232  -2.962   4.535
  421   2HB   GLU  53          2HB       GLU  53  -7.871  -2.689   2.920
  422   1HG   GLU  53          1HG       GLU  53  -8.994  -5.006   3.267
  423   2HG   GLU  53          2HG       GLU  53  -8.701  -4.680   4.975
  424    H    THR  54           H        THR  54  -7.249  -6.400   1.856
  425    HA   THR  54           HA       THR  54  -7.245  -5.119  -0.798
  426    HB   THR  54           HB       THR  54  -6.478  -7.173  -1.814
  427    HG1  THR  54           HG1      THR  54  -6.421  -8.215   0.842
  428   1HG2  THR  54          1HG2      THR  54  -4.933  -5.593  -0.058
  429   2HG2  THR  54          2HG2      THR  54  -4.380  -6.528  -1.447
  430   3HG2  THR  54          3HG2      THR  54  -4.407  -7.262   0.156
  431    H    TRP  55           H        TRP  55  -9.370  -4.826  -1.174
  432    HA   TRP  55           HA       TRP  55 -11.556  -5.285  -1.588
  433   1HB   TRP  55          1HB       TRP  55 -10.495  -7.005  -3.073
  434   2HB   TRP  55          2HB       TRP  55 -10.664  -8.171  -1.763
  435    HD1  TRP  55           HD1      TRP  55 -13.696  -6.454  -1.303
  436    HE1  TRP  55           HE1      TRP  55 -15.651  -7.458  -2.643
  437    HE3  TRP  55           HE3      TRP  55 -11.032  -9.249  -4.656
  438    HZ2  TRP  55           HZ2      TRP  55 -16.016  -9.204  -4.830
  439    HZ3  TRP  55           HZ3      TRP  55 -12.262 -10.557  -6.340
  440    HH2  TRP  55           HH2      TRP  55 -14.702 -10.533  -6.422
  Start of MODEL    5
    1    H    MET   1           H        MET   1  -6.631   3.061  -0.561
    2    HA   MET   1           HA       MET   1  -5.193   3.071   1.233
    3   1HB   MET   1          1HB       MET   1  -4.034   5.158   1.400
    4   2HB   MET   1          2HB       MET   1  -4.545   4.947  -0.265
    5   1HG   MET   1          1HG       MET   1  -5.181   7.078  -0.063
    6   2HG   MET   1          2HG       MET   1  -6.616   6.373   0.667
    7   1HE   MET   1          1HE       MET   1  -3.078   6.961   3.213
    8   2HE   MET   1          2HE       MET   1  -3.081   8.444   2.259
    9   3HE   MET   1          3HE       MET   1  -3.062   6.876   1.453
   10    H    ILE   2           H        ILE   2  -4.667   4.953   3.201
   11    HA   ILE   2           HA       ILE   2  -7.102   5.012   4.830
   12    HB   ILE   2           HB       ILE   2  -4.464   3.815   5.675
   13   1HG1  ILE   2          1HG1      ILE   2  -6.028   1.892   6.288
   14   2HG1  ILE   2          2HG1      ILE   2  -7.256   2.734   5.345
   15   1HG2  ILE   2          1HG2      ILE   2  -5.203   3.661   7.900
   16   2HG2  ILE   2          2HG2      ILE   2  -6.845   4.143   7.474
   17   3HG2  ILE   2          3HG2      ILE   2  -5.535   5.322   7.421
   18   1HD1  ILE   2          1HD1      ILE   2  -5.382   0.917   4.417
   19   2HD1  ILE   2          2HD1      ILE   2  -4.805   2.489   3.861
   20   3HD1  ILE   2          3HD1      ILE   2  -6.435   1.952   3.452
   21    HA   PRO   3           HA       PRO   3  -5.519   9.079   5.742
   22   1HB   PRO   3          1HB       PRO   3  -7.171   9.767   7.711
   23   2HB   PRO   3          2HB       PRO   3  -7.804   9.503   6.078
   24   1HG   PRO   3          1HG       PRO   3  -7.723   7.584   8.402
   25   2HG   PRO   3          2HG       PRO   3  -9.121   8.037   7.396
   26   1HD   PRO   3          1HD       PRO   3  -7.692   5.790   6.917
   27   2HD   PRO   3          2HD       PRO   3  -8.397   6.750   5.597
   28    H    VAL   4           H        VAL   4  -4.860  10.331   7.815
   29    HA   VAL   4           HA       VAL   4  -3.572  10.488   9.687
   30    HB   VAL   4           HB       VAL   4  -5.231   8.060  10.139
   31   1HG1  VAL   4          1HG1      VAL   4  -4.156   7.927  12.500
   32   2HG1  VAL   4          2HG1      VAL   4  -2.737   8.610  11.705
   33   3HG1  VAL   4          3HG1      VAL   4  -3.399   7.068  11.155
   34   1HG2  VAL   4          1HG2      VAL   4  -6.158   9.320  11.878
   35   2HG2  VAL   4          2HG2      VAL   4  -5.843  10.486  10.593
   36   3HG2  VAL   4          3HG2      VAL   4  -4.755  10.383  11.976
   37    H    ARG   5           H        ARG   5  -3.342   6.988   9.221
   38    HA   ARG   5           HA       ARG   5  -0.633   6.769   9.720
   39   1HB   ARG   5          1HB       ARG   5  -2.745   5.072   9.051
   40   2HB   ARG   5          2HB       ARG   5  -1.527   4.782   7.809
   41   1HG   ARG   5          1HG       ARG   5  -1.096   3.234   9.533
   42   2HG   ARG   5          2HG       ARG   5   0.129   4.493   9.701
   43   1HD   ARG   5          1HD       ARG   5  -0.760   5.300  11.641
   44   2HD   ARG   5          2HD       ARG   5  -2.400   4.812  11.217
   45    HE   ARG   5           HE       ARG   5  -2.037   2.825  12.280
   46   1HH1  ARG   5          1HH1      ARG   5   1.033   4.335  11.634
   47   2HH1  ARG   5          2HH1      ARG   5   1.943   3.170  12.537
   48   1HH2  ARG   5          1HH2      ARG   5  -0.849   1.286  13.472
   49   2HH2  ARG   5          2HH2      ARG   5   0.873   1.437  13.582
   50    H    CYS   6           H        CYS   6   0.817   5.597   7.954
   51    HA   CYS   6           HA       CYS   6   1.105   7.543   5.782
   52   1HB   CYS   6          1HB       CYS   6   2.945   6.303   7.582
   53   2HB   CYS   6          2HB       CYS   6   3.364   5.830   5.939
   54    H    LEU   7           H        LEU   7  -0.096   6.838   4.133
   55    HA   LEU   7           HA       LEU   7   0.722   4.319   2.896
   56   1HB   LEU   7          1HB       LEU   7  -2.124   5.282   3.084
   57   2HB   LEU   7          2HB       LEU   7  -1.591   3.856   2.226
   58    HG   LEU   7           HG       LEU   7  -2.466   2.923   4.127
   59   1HD1  LEU   7          1HD1      LEU   7   0.286   2.854   3.995
   60   2HD1  LEU   7          2HD1      LEU   7  -0.741   1.820   4.980
   61   3HD1  LEU   7          3HD1      LEU   7  -0.043   3.278   5.673
   62   1HD2  LEU   7          1HD2      LEU   7  -2.446   3.913   6.319
   63   2HD2  LEU   7          2HD2      LEU   7  -3.015   5.095   5.140
   64   3HD2  LEU   7          3HD2      LEU   7  -1.369   5.196   5.766
   65    H    SER   8           H        SER   8   1.761   6.720   2.269
   66    HA   SER   8           HA       SER   8   1.304   6.970  -0.472
   67   1HB   SER   8          1HB       SER   8  -0.332   8.748   1.263
   68   2HB   SER   8          2HB       SER   8   0.423   9.489  -0.149
   69    HG   SER   8           HG       SER   8  -1.701   8.594  -0.527
   70    H    CYS   9           H        CYS   9   1.944   9.226   2.216
   71    HA   CYS   9           HA       CYS   9   3.738  10.518   2.729
   72   1HB   CYS   9          1HB       CYS   9   4.803   8.055   1.800
   73   2HB   CYS   9          2HB       CYS   9   5.808   9.341   1.140
   74    H    GLY  10           H        GLY  10   2.140  10.927   0.197
   75   1HA   GLY  10          1HA       GLY  10   2.624  13.215  -0.794
   76   2HA   GLY  10          2HA       GLY  10   4.140  12.490  -1.308
   77    H    LYS  11           H        LYS  11   2.654   9.906  -1.808
   78    HA   LYS  11           HA       LYS  11   1.360  10.712  -4.324
   79   1HB   LYS  11          1HB       LYS  11   3.591   8.902  -3.823
   80   2HB   LYS  11          2HB       LYS  11   2.316   8.160  -4.782
   81   1HG   LYS  11          1HG       LYS  11   3.904   9.132  -6.268
   82   2HG   LYS  11          2HG       LYS  11   2.440  10.118  -6.319
   83   1HD   LYS  11          1HD       LYS  11   3.829  11.311  -4.314
   84   2HD   LYS  11          2HD       LYS  11   5.138  10.788  -5.374
   85   1HE   LYS  11          1HE       LYS  11   4.199  11.976  -7.229
   86   2HE   LYS  11          2HE       LYS  11   2.740  12.353  -6.312
   87   1HZ   LYS  11          1HZ       LYS  11   3.748  14.033  -5.238
   88   2HZ   LYS  11          2HZ       LYS  11   4.802  14.017  -6.561
   89   3HZ   LYS  11          3HZ       LYS  11   5.235  13.236  -5.124
   90    HA   PRO  12           HA       PRO  12  -2.182   8.541  -2.686
   91   1HB   PRO  12          1HB       PRO  12  -2.909   8.254  -5.543
   92   2HB   PRO  12          2HB       PRO  12  -3.830   8.963  -4.214
   93   1HG   PRO  12          1HG       PRO  12  -2.699  10.500  -6.085
   94   2HG   PRO  12          2HG       PRO  12  -2.756  11.007  -4.386
   95   1HD   PRO  12          1HD       PRO  12  -0.471   9.893  -5.960
   96   2HD   PRO  12          2HD       PRO  12  -0.475  11.169  -4.725
   97    H    VAL  13           H        VAL  13  -2.268   6.466  -2.104
   98    HA   VAL  13           HA       VAL  13  -1.056   4.467  -3.875
   99    HB   VAL  13           HB       VAL  13  -0.671   3.082  -1.997
  100   1HG1  VAL  13          1HG1      VAL  13   0.471   4.712  -0.375
  101   2HG1  VAL  13          2HG1      VAL  13  -0.082   5.976  -1.475
  102   3HG1  VAL  13          3HG1      VAL  13   1.001   4.712  -2.059
  103   1HG2  VAL  13          1HG2      VAL  13  -1.472   3.612   0.270
  104   2HG2  VAL  13          2HG2      VAL  13  -2.799   3.311  -0.854
  105   3HG2  VAL  13          3HG2      VAL  13  -2.398   4.962  -0.390
  106    H    SER  14           H        SER  14  -4.073   5.632  -3.113
  107    HA   SER  14           HA       SER  14  -5.607   3.309  -2.768
  108   1HB   SER  14          1HB       SER  14  -6.425   5.923  -4.059
  109   2HB   SER  14          2HB       SER  14  -7.516   4.691  -3.418
  110    HG   SER  14           HG       SER  14  -6.824   6.634  -2.062
  111    H    ALA  15           H        ALA  15  -5.643   5.297  -5.721
  112    HA   ALA  15           HA       ALA  15  -6.777   3.479  -7.413
  113   1HB   ALA  15          1HB       ALA  15  -4.577   5.309  -8.326
  114   2HB   ALA  15          2HB       ALA  15  -6.173   5.901  -7.867
  115   3HB   ALA  15          3HB       ALA  15  -6.004   4.777  -9.216
  116    H    TYR  16           H        TYR  16  -3.524   3.456  -6.194
  117    HA   TYR  16           HA       TYR  16  -2.593   1.575  -8.173
  118   1HB   TYR  16          1HB       TYR  16  -1.393   3.056  -5.881
  119   2HB   TYR  16          2HB       TYR  16  -0.584   1.602  -6.450
  120    HD1  TYR  16           HD1      TYR  16  -1.215   5.089  -7.070
  121    HD2  TYR  16           HD2      TYR  16   0.141   1.477  -8.865
  122    HE1  TYR  16           HE1      TYR  16  -0.172   6.387  -8.880
  123    HE2  TYR  16           HE2      TYR  16   1.187   2.765 -10.681
  124    HH   TYR  16           HH       TYR  16   0.594   5.356 -11.680
  125    H    PHE  17           H        PHE  17  -3.929   1.479  -4.964
  126    HA   PHE  17           HA       PHE  17  -2.984  -0.909  -3.967
  127   1HB   PHE  17          1HB       PHE  17  -5.551   0.568  -3.689
  128   2HB   PHE  17          2HB       PHE  17  -5.530  -1.106  -3.151
  129    HD1  PHE  17           HD1      PHE  17  -6.136  -0.019  -0.945
  130    HD2  PHE  17           HD2      PHE  17  -2.344   0.500  -2.814
  131    HE1  PHE  17           HE1      PHE  17  -5.170   0.670   1.208
  132    HE2  PHE  17           HE2      PHE  17  -1.376   1.187  -0.662
  133    HZ   PHE  17           HZ       PHE  17  -2.788   1.274   1.353
  134    H    ASN  18           H        ASN  18  -5.148  -0.377  -6.630
  135    HA   ASN  18           HA       ASN  18  -6.237  -2.975  -6.842
  136   1HB   ASN  18          1HB       ASN  18  -5.729  -0.832  -8.914
  137   2HB   ASN  18          2HB       ASN  18  -6.560  -2.342  -9.274
  138   1HD2  ASN  18          1HD2      ASN  18  -8.671  -2.210  -9.239
  139   2HD2  ASN  18          2HD2      ASN  18  -9.616  -1.123  -8.275
  140    H    GLU  19           H        GLU  19  -3.235  -1.520  -7.911
  141    HA   GLU  19           HA       GLU  19  -2.331  -3.575  -9.608
  142   1HB   GLU  19          1HB       GLU  19  -1.388  -1.177  -9.164
  143   2HB   GLU  19          2HB       GLU  19  -0.466  -1.963  -7.892
  144   1HG   GLU  19          1HG       GLU  19   0.023  -3.604 -10.002
  145   2HG   GLU  19          2HG       GLU  19  -0.114  -2.034 -10.793
  146    H    TYR  20           H        TYR  20  -1.540  -2.899  -6.208
  147    HA   TYR  20           HA       TYR  20  -0.029  -5.152  -5.652
  148   1HB   TYR  20          1HB       TYR  20  -0.188  -3.390  -4.034
  149   2HB   TYR  20          2HB       TYR  20  -1.929  -3.586  -3.898
  150    HD1  TYR  20           HD1      TYR  20  -2.859  -5.583  -2.744
  151    HD2  TYR  20           HD2      TYR  20   1.310  -4.731  -2.754
  152    HE1  TYR  20           HE1      TYR  20  -2.546  -7.114  -0.847
  153    HE2  TYR  20           HE2      TYR  20   1.634  -6.262  -0.857
  154    HH   TYR  20           HH       TYR  20   0.413  -8.287   0.103
  155    H    GLN  21           H        GLN  21  -3.537  -4.722  -5.395
  156    HA   GLN  21           HA       GLN  21  -4.181  -7.273  -4.455
  157   1HB   GLN  21          1HB       GLN  21  -5.788  -5.425  -4.489
  158   2HB   GLN  21          2HB       GLN  21  -5.798  -5.449  -6.246
  159   1HG   GLN  21          1HG       GLN  21  -7.144  -7.255  -6.355
  160   2HG   GLN  21          2HG       GLN  21  -6.469  -7.985  -4.900
  161   1HE2  GLN  21          1HE2      GLN  21  -6.911  -6.453  -2.901
  162   2HE2  GLN  21          2HE2      GLN  21  -8.570  -6.009  -2.719
  163    H    ARG  22           H        ARG  22  -4.337  -6.077  -7.812
  164    HA   ARG  22           HA       ARG  22  -4.927  -8.470  -9.067
  165   1HB   ARG  22          1HB       ARG  22  -3.344  -6.074  -9.980
  166   2HB   ARG  22          2HB       ARG  22  -3.653  -7.440 -11.044
  167   1HG   ARG  22          1HG       ARG  22  -6.153  -6.944 -10.189
  168   2HG   ARG  22          2HG       ARG  22  -5.465  -5.321 -10.106
  169   1HD   ARG  22          1HD       ARG  22  -4.616  -6.487 -12.541
  170   2HD   ARG  22          2HD       ARG  22  -6.349  -6.777 -12.392
  171    HE   ARG  22           HE       ARG  22  -5.033  -4.240 -12.778
  172   1HH1  ARG  22          1HH1      ARG  22  -7.927  -5.863 -11.716
  173   2HH1  ARG  22          2HH1      ARG  22  -8.947  -4.487 -11.973
  174   1HH2  ARG  22          1HH2      ARG  22  -6.368  -2.422 -13.118
  175   2HH2  ARG  22          2HH2      ARG  22  -8.062  -2.531 -12.769
  176    H    ARG  23           H        ARG  23  -1.709  -7.058  -8.504
  177    HA   ARG  23           HA       ARG  23  -0.235  -9.201  -9.547
  178   1HB   ARG  23          1HB       ARG  23   0.319  -6.767  -8.117
  179   2HB   ARG  23          2HB       ARG  23   1.382  -8.083  -7.615
  180   1HG   ARG  23          1HG       ARG  23   2.424  -6.996  -9.427
  181   2HG   ARG  23          2HG       ARG  23   1.824  -8.523 -10.037
  182   1HD   ARG  23          1HD       ARG  23   0.563  -7.495 -11.548
  183   2HD   ARG  23          2HD       ARG  23  -0.174  -6.480 -10.310
  184    HE   ARG  23           HE       ARG  23   2.321  -5.406 -10.802
  185   1HH1  ARG  23          1HH1      ARG  23  -0.587  -6.037 -12.610
  186   2HH1  ARG  23          2HH1      ARG  23  -0.352  -4.713 -13.701
  187   1HH2  ARG  23          1HH2      ARG  23   2.640  -3.658 -12.234
  188   2HH2  ARG  23          2HH2      ARG  23   1.483  -3.361 -13.487
  189    H    VAL  24           H        VAL  24  -0.487  -8.341  -6.089
  190    HA   VAL  24           HA       VAL  24   0.539 -10.657  -5.027
  191    HB   VAL  24           HB       VAL  24  -1.721  -9.030  -3.854
  192   1HG1  VAL  24          1HG1      VAL  24  -1.727 -10.781  -2.421
  193   2HG1  VAL  24          2HG1      VAL  24  -0.349  -9.922  -1.732
  194   3HG1  VAL  24          3HG1      VAL  24  -0.085 -11.270  -2.838
  195   1HG2  VAL  24          1HG2      VAL  24   1.041  -8.403  -4.326
  196   2HG2  VAL  24          2HG2      VAL  24   0.709  -8.433  -2.594
  197   3HG2  VAL  24          3HG2      VAL  24  -0.237  -7.390  -3.654
  198    H    ALA  25           H        ALA  25  -2.566 -10.147  -6.475
  199    HA   ALA  25           HA       ALA  25  -3.892 -12.409  -5.379
  200   1HB   ALA  25          1HB       ALA  25  -5.249 -10.693  -6.274
  201   2HB   ALA  25          2HB       ALA  25  -5.443 -12.083  -7.343
  202   3HB   ALA  25          3HB       ALA  25  -4.409 -10.736  -7.824
  203    H    ASP  26           H        ASP  26  -2.251 -11.843  -8.486
  204    HA   ASP  26           HA       ASP  26  -2.613 -14.516  -9.407
  205   1HB   ASP  26          1HB       ASP  26  -1.381 -12.059 -10.387
  206   2HB   ASP  26          2HB       ASP  26  -0.450 -13.491 -10.814
  207    H    GLY  27           H        GLY  27  -0.118 -12.843  -7.604
  208   1HA   GLY  27          1HA       GLY  27   1.120 -14.347  -6.058
  209   2HA   GLY  27          2HA       GLY  27   1.373 -15.389  -7.448
  210    H    GLU  28           H        GLU  28   1.578 -11.904  -7.681
  211    HA   GLU  28           HA       GLU  28   4.386 -12.164  -8.424
  212   1HB   GLU  28          1HB       GLU  28   2.456  -9.846  -8.649
  213   2HB   GLU  28          2HB       GLU  28   4.125  -9.811  -9.197
  214   1HG   GLU  28          1HG       GLU  28   3.104 -10.307 -11.155
  215   2HG   GLU  28          2HG       GLU  28   3.362 -11.942 -10.549
  216    H    ASP  29           H        ASP  29   6.042 -10.958  -7.480
  217    HA   ASP  29           HA       ASP  29   6.000 -10.682  -4.716
  218   1HB   ASP  29          1HB       ASP  29   7.947 -10.606  -6.599
  219   2HB   ASP  29          2HB       ASP  29   7.859  -8.899  -6.170
  220    HA   PRO  30           HA       PRO  30   3.397  -6.979  -4.536
  221   1HB   PRO  30          1HB       PRO  30   4.180  -7.140  -1.683
  222   2HB   PRO  30          2HB       PRO  30   2.576  -7.029  -2.409
  223   1HG   PRO  30          1HG       PRO  30   3.461  -9.324  -1.356
  224   2HG   PRO  30          2HG       PRO  30   2.441  -9.299  -2.806
  225   1HD   PRO  30          1HD       PRO  30   5.383  -9.748  -2.563
  226   2HD   PRO  30          2HD       PRO  30   4.213 -10.493  -3.672
  227    H    LYS  31           H        LYS  31   6.455  -7.315  -2.741
  228    HA   LYS  31           HA       LYS  31   7.055  -4.672  -2.277
  229   1HB   LYS  31          1HB       LYS  31   8.492  -7.162  -2.365
  230   2HB   LYS  31          2HB       LYS  31   9.472  -5.886  -3.068
  231   1HG   LYS  31          1HG       LYS  31   9.756  -4.828  -1.096
  232   2HG   LYS  31          2HG       LYS  31   8.133  -5.228  -0.524
  233   1HD   LYS  31          1HD       LYS  31   9.806  -6.364   0.823
  234   2HD   LYS  31          2HD       LYS  31   8.868  -7.536  -0.105
  235   1HE   LYS  31          1HE       LYS  31  11.137  -6.694  -1.635
  236   2HE   LYS  31          2HE       LYS  31  11.666  -7.216  -0.037
  237   1HZ   LYS  31          1HZ       LYS  31  11.461  -8.953  -1.891
  238   2HZ   LYS  31          2HZ       LYS  31   9.795  -8.867  -1.608
  239   3HZ   LYS  31          3HZ       LYS  31  10.841  -9.337  -0.365
  240    H    ASP  32           H        ASP  32   7.445  -6.546  -5.233
  241    HA   ASP  32           HA       ASP  32   8.751  -4.534  -6.754
  242   1HB   ASP  32          1HB       ASP  32   8.029  -7.171  -7.187
  243   2HB   ASP  32          2HB       ASP  32   6.947  -6.287  -8.260
  244    H    VAL  33           H        VAL  33   5.390  -5.444  -6.204
  245    HA   VAL  33           HA       VAL  33   4.165  -3.635  -7.958
  246    HB   VAL  33           HB       VAL  33   3.104  -4.592  -5.294
  247   1HG1  VAL  33          1HG1      VAL  33   1.152  -3.610  -5.768
  248   2HG1  VAL  33          2HG1      VAL  33   1.229  -4.062  -7.472
  249   3HG1  VAL  33          3HG1      VAL  33   2.085  -2.630  -6.899
  250   1HG2  VAL  33          1HG2      VAL  33   3.129  -5.837  -8.016
  251   2HG2  VAL  33          2HG2      VAL  33   1.851  -6.209  -6.860
  252   3HG2  VAL  33          3HG2      VAL  33   3.532  -6.557  -6.455
  253    H    LEU  34           H        LEU  34   5.157  -3.311  -4.566
  254    HA   LEU  34           HA       LEU  34   4.168  -0.812  -3.966
  255   1HB   LEU  34          1HB       LEU  34   6.663  -2.242  -3.151
  256   2HB   LEU  34          2HB       LEU  34   6.398  -0.594  -2.633
  257    HG   LEU  34           HG       LEU  34   5.715  -2.420  -1.005
  258   1HD1  LEU  34          1HD1      LEU  34   3.281  -0.852  -1.468
  259   2HD1  LEU  34          2HD1      LEU  34   4.770   0.088  -1.403
  260   3HD1  LEU  34          3HD1      LEU  34   4.323  -0.946  -0.047
  261   1HD2  LEU  34          1HD2      LEU  34   4.630  -4.008  -2.339
  262   2HD2  LEU  34          2HD2      LEU  34   3.630  -2.786  -3.125
  263   3HD2  LEU  34          3HD2      LEU  34   3.336  -3.214  -1.442
  264    H    ASP  35           H        ASP  35   7.057  -1.654  -5.795
  265    HA   ASP  35           HA       ASP  35   8.069   0.951  -6.098
  266   1HB   ASP  35          1HB       ASP  35   9.178  -1.323  -6.666
  267   2HB   ASP  35          2HB       ASP  35   8.350  -1.170  -8.214
  268    H    ASP  36           H        ASP  36   5.630  -0.887  -7.800
  269    HA   ASP  36           HA       ASP  36   5.284   1.094  -9.878
  270   1HB   ASP  36          1HB       ASP  36   4.177  -1.581  -9.245
  271   2HB   ASP  36          2HB       ASP  36   3.095  -0.488 -10.101
  272    H    LEU  37           H        LEU  37   3.597   0.039  -6.962
  273    HA   LEU  37           HA       LEU  37   1.259   1.462  -7.068
  274   1HB   LEU  37          1HB       LEU  37   3.087   0.695  -4.837
  275   2HB   LEU  37          2HB       LEU  37   1.717   1.728  -4.488
  276    HG   LEU  37           HG       LEU  37   1.066  -0.705  -6.016
  277   1HD1  LEU  37          1HD1      LEU  37   2.337  -0.807  -3.320
  278   2HD1  LEU  37          2HD1      LEU  37   2.521  -1.899  -4.692
  279   3HD1  LEU  37          3HD1      LEU  37   1.049  -1.940  -3.722
  280   1HD2  LEU  37          1HD2      LEU  37  -0.300   1.198  -4.575
  281   2HD2  LEU  37          2HD2      LEU  37  -0.283  -0.194  -3.493
  282   3HD2  LEU  37          3HD2      LEU  37  -0.942  -0.351  -5.120
  283    H    GLY  38           H        GLY  38   4.365   2.613  -5.765
  284   1HA   GLY  38          1HA       GLY  38   5.137   4.816  -6.423
  285   2HA   GLY  38          2HA       GLY  38   3.472   5.365  -6.348
  286    H    LEU  39           H        LEU  39   5.385   3.454  -4.047
  287    HA   LEU  39           HA       LEU  39   5.237   5.672  -2.133
  288   1HB   LEU  39          1HB       LEU  39   4.892   3.137  -0.792
  289   2HB   LEU  39          2HB       LEU  39   3.918   4.590  -0.690
  290    HG   LEU  39           HG       LEU  39   2.763   3.841  -2.810
  291   1HD1  LEU  39          1HD1      LEU  39   3.827   2.220  -3.917
  292   2HD1  LEU  39          2HD1      LEU  39   3.055   1.129  -2.765
  293   3HD1  LEU  39          3HD1      LEU  39   4.707   1.684  -2.488
  294   1HD2  LEU  39          1HD2      LEU  39   2.410   1.794  -0.670
  295   2HD2  LEU  39          2HD2      LEU  39   1.195   2.612  -1.653
  296   3HD2  LEU  39          3HD2      LEU  39   2.019   3.486  -0.361
  297    H    LYS  40           H        LYS  40   7.491   5.887  -2.748
  298    HA   LYS  40           HA       LYS  40   9.273   3.735  -1.918
  299   1HB   LYS  40          1HB       LYS  40   9.394   5.584  -3.965
  300   2HB   LYS  40          2HB       LYS  40  10.529   6.228  -2.788
  301   1HG   LYS  40          1HG       LYS  40  10.724   3.340  -3.394
  302   2HG   LYS  40          2HG       LYS  40  11.228   4.469  -4.654
  303   1HD   LYS  40          1HD       LYS  40  12.294   5.369  -2.177
  304   2HD   LYS  40          2HD       LYS  40  12.655   3.649  -2.341
  305   1HE   LYS  40          1HE       LYS  40  13.294   4.418  -4.803
  306   2HE   LYS  40          2HE       LYS  40  13.570   5.950  -3.975
  307   1HZ   LYS  40          1HZ       LYS  40  14.709   3.521  -2.801
  308   2HZ   LYS  40          2HZ       LYS  40  15.302   5.105  -2.789
  309   3HZ   LYS  40          3HZ       LYS  40  15.452   4.157  -4.181
  310    H    ARG  41           H        ARG  41   8.705   3.949   0.338
  311    HA   ARG  41           HA       ARG  41  10.492   5.800   1.693
  312   1HB   ARG  41          1HB       ARG  41   7.510   5.754   2.091
  313   2HB   ARG  41          2HB       ARG  41   8.593   6.281   3.374
  314   1HG   ARG  41          1HG       ARG  41   8.772   7.491   0.647
  315   2HG   ARG  41          2HG       ARG  41   7.550   8.036   1.796
  316   1HD   ARG  41          1HD       ARG  41   9.102   9.402   2.623
  317   2HD   ARG  41          2HD       ARG  41   9.880   7.965   3.286
  318    HE   ARG  41           HE       ARG  41  11.547   8.210   1.746
  319   1HH1  ARG  41          1HH1      ARG  41   8.782  10.061   0.720
  320   2HH1  ARG  41          2HH1      ARG  41   9.609  10.805  -0.606
  321   1HH2  ARG  41          1HH2      ARG  41  12.648   9.186   0.000
  322   2HH2  ARG  41          2HH2      ARG  41  11.807  10.308  -1.017
  323    H    TYR  42           H        TYR  42   8.146   3.177   1.974
  324    HA   TYR  42           HA       TYR  42   8.433   1.106   2.916
  325   1HB   TYR  42          1HB       TYR  42  11.015   1.933   3.119
  326   2HB   TYR  42          2HB       TYR  42  10.572   1.814   4.820
  327    HD1  TYR  42           HD1      TYR  42   8.607  -0.497   4.516
  328    HD2  TYR  42           HD2      TYR  42  12.544   0.115   3.022
  329    HE1  TYR  42           HE1      TYR  42   8.949  -2.930   4.440
  330    HE2  TYR  42           HE2      TYR  42  12.897  -2.317   2.944
  331    HH   TYR  42           HH       TYR  42  11.998  -4.345   4.014
  332    H    CYS  43           H        CYS  43   8.724   3.994   4.921
  333    HA   CYS  43           HA       CYS  43   7.713   2.950   7.300
  334   1HB   CYS  43          1HB       CYS  43   7.277   5.166   7.964
  335   2HB   CYS  43          2HB       CYS  43   8.650   5.275   6.869
  336    H    CYS  44           H        CYS  44   6.192   3.737   4.290
  337    HA   CYS  44           HA       CYS  44   3.492   3.306   5.308
  338   1HB   CYS  44          1HB       CYS  44   4.181   3.539   2.395
  339   2HB   CYS  44          2HB       CYS  44   2.716   4.063   3.231
  340    H    ARG  45           H        ARG  45   5.681   1.907   2.886
  341    HA   ARG  45           HA       ARG  45   4.229  -0.222   2.015
  342   1HB   ARG  45          1HB       ARG  45   7.180  -0.358   2.638
  343   2HB   ARG  45          2HB       ARG  45   6.306  -1.355   1.489
  344   1HG   ARG  45          1HG       ARG  45   6.152   0.321  -0.070
  345   2HG   ARG  45          2HG       ARG  45   6.310   1.605   1.125
  346   1HD   ARG  45          1HD       ARG  45   8.476   1.735   0.667
  347   2HD   ARG  45          2HD       ARG  45   8.679   0.078   1.236
  348    HE   ARG  45           HE       ARG  45   7.768  -0.169  -1.330
  349   1HH1  ARG  45          1HH1      ARG  45  10.469   1.402   0.205
  350   2HH1  ARG  45          2HH1      ARG  45  11.516   1.227  -1.164
  351   1HH2  ARG  45          1HH2      ARG  45   9.137  -0.407  -3.140
  352   2HH2  ARG  45          2HH2      ARG  45  10.759   0.199  -3.066
  353    H    ARG  46           H        ARG  46   6.503  -0.374   4.773
  354    HA   ARG  46           HA       ARG  46   6.226  -2.939   5.572
  355   1HB   ARG  46          1HB       ARG  46   6.693  -2.242   7.844
  356   2HB   ARG  46          2HB       ARG  46   7.634  -1.267   6.722
  357   1HG   ARG  46          1HG       ARG  46   5.815   0.478   6.931
  358   2HG   ARG  46          2HG       ARG  46   5.193  -0.474   8.280
  359   1HD   ARG  46          1HD       ARG  46   7.771  -0.323   8.997
  360   2HD   ARG  46          2HD       ARG  46   7.636   1.181   8.088
  361    HE   ARG  46           HE       ARG  46   5.485   0.929   9.909
  362   1HH1  ARG  46          1HH1      ARG  46   8.895   1.623   9.769
  363   2HH1  ARG  46          2HH1      ARG  46   8.889   2.598  11.200
  364   1HH2  ARG  46          1HH2      ARG  46   5.465   2.213  11.797
  365   2HH2  ARG  46          2HH2      ARG  46   6.939   2.933  12.353
  366    H    MET  47           H        MET  47   3.879  -0.378   6.088
  367    HA   MET  47           HA       MET  47   2.153  -2.094   7.647
  368   1HB   MET  47          1HB       MET  47   1.836   0.720   6.608
  369   2HB   MET  47          2HB       MET  47   0.608  -0.106   7.553
  370   1HG   MET  47          1HG       MET  47   2.461  -0.426   9.300
  371   2HG   MET  47          2HG       MET  47   3.325   0.819   8.398
  372   1HE   MET  47          1HE       MET  47   1.442   3.831   8.451
  373   2HE   MET  47          2HE       MET  47   0.028   2.886   7.982
  374   3HE   MET  47          3HE       MET  47   1.606   2.522   7.284
  375    H    LEU  48           H        LEU  48   2.496  -1.025   4.365
  376    HA   LEU  48           HA       LEU  48  -0.142  -1.912   3.596
  377   1HB   LEU  48          1HB       LEU  48   2.094  -1.066   1.765
  378   2HB   LEU  48          2HB       LEU  48   0.376  -1.095   1.415
  379    HG   LEU  48           HG       LEU  48   1.285   0.639   3.646
  380   1HD1  LEU  48          1HD1      LEU  48   2.400   2.158   2.431
  381   2HD1  LEU  48          2HD1      LEU  48   1.364   1.933   1.025
  382   3HD1  LEU  48          3HD1      LEU  48   2.690   0.812   1.328
  383   1HD2  LEU  48          1HD2      LEU  48  -0.895   0.571   1.620
  384   2HD2  LEU  48          2HD2      LEU  48  -0.442   2.110   2.353
  385   3HD2  LEU  48          3HD2      LEU  48  -0.987   0.776   3.369
  386    H    ILE  49           H        ILE  49   3.131  -2.738   2.375
  387    HA   ILE  49           HA       ILE  49   2.531  -4.885   0.835
  388    HB   ILE  49           HB       ILE  49   4.740  -5.931   1.684
  389   1HG1  ILE  49          1HG1      ILE  49   5.531  -3.269   2.636
  390   2HG1  ILE  49          2HG1      ILE  49   4.424  -4.119   3.712
  391   1HG2  ILE  49          1HG2      ILE  49   4.702  -4.874  -0.411
  392   2HG2  ILE  49          2HG2      ILE  49   6.025  -4.105   0.466
  393   3HG2  ILE  49          3HG2      ILE  49   4.475  -3.278   0.305
  394   1HD1  ILE  49          1HD1      ILE  49   7.041  -5.200   2.698
  395   2HD1  ILE  49          2HD1      ILE  49   5.945  -6.000   3.825
  396   3HD1  ILE  49          3HD1      ILE  49   6.760  -4.508   4.296
  397    H    SER  50           H        SER  50   2.456  -4.814   4.309
  398    HA   SER  50           HA       SER  50   2.158  -7.684   4.537
  399   1HB   SER  50          1HB       SER  50   1.997  -5.481   6.608
  400   2HB   SER  50          2HB       SER  50   1.898  -7.204   6.970
  401    HG   SER  50           HG       SER  50   4.005  -7.378   5.957
  402    H    HIS  51           H        HIS  51   0.160  -5.161   6.044
  403    HA   HIS  51           HA       HIS  51  -2.172  -6.843   5.718
  404   1HB   HIS  51          1HB       HIS  51  -1.458  -5.373   7.783
  405   2HB   HIS  51          2HB       HIS  51  -2.303  -4.101   6.907
  406    HD2  HIS  51           HD2      HIS  51  -4.851  -3.928   7.663
  407    HE1  HIS  51           HE1      HIS  51  -5.406  -7.988   8.724
  408    HE2  HIS  51           HE2      HIS  51  -6.498  -5.702   8.598
  409    H    VAL  52           H        VAL  52  -1.709  -3.346   5.178
  410    HA   VAL  52           HA       VAL  52  -2.823  -1.894   3.812
  411    HB   VAL  52           HB       VAL  52  -1.149  -2.823   2.267
  412   1HG1  VAL  52          1HG1      VAL  52  -1.879  -4.503   0.597
  413   2HG1  VAL  52          2HG1      VAL  52  -3.343  -4.750   1.549
  414   3HG1  VAL  52          3HG1      VAL  52  -1.767  -5.132   2.242
  415   1HG2  VAL  52          1HG2      VAL  52  -3.578  -2.485   0.595
  416   2HG2  VAL  52          2HG2      VAL  52  -1.983  -1.751   0.436
  417   3HG2  VAL  52          3HG2      VAL  52  -3.103  -1.165   1.666
  418    H    GLU  53           H        GLU  53  -4.500  -3.880   5.210
  419    HA   GLU  53           HA       GLU  53  -6.622  -4.720   5.225
  420   1HB   GLU  53          1HB       GLU  53  -6.806  -2.091   3.808
  421   2HB   GLU  53          2HB       GLU  53  -8.244  -3.093   3.941
  422   1HG   GLU  53          1HG       GLU  53  -8.340  -2.894   6.231
  423   2HG   GLU  53          2HG       GLU  53  -6.633  -2.478   6.372
  424    H    THR  54           H        THR  54  -5.869  -6.561   3.902
  425    HA   THR  54           HA       THR  54  -6.873  -6.503   1.141
  426    HB   THR  54           HB       THR  54  -5.666  -8.860   1.182
  427    HG1  THR  54           HG1      THR  54  -5.132  -8.658   3.446
  428   1HG2  THR  54          1HG2      THR  54  -4.748  -6.127   0.643
  429   2HG2  THR  54          2HG2      THR  54  -4.676  -7.568  -0.371
  430   3HG2  THR  54          3HG2      THR  54  -3.452  -7.301   0.871
  431    H    TRP  55           H        TRP  55  -7.023  -8.408   4.129
  432    HA   TRP  55           HA       TRP  55  -8.595  -9.833   4.946
  433   1HB   TRP  55          1HB       TRP  55 -10.031  -7.831   3.728
  434   2HB   TRP  55          2HB       TRP  55 -10.673  -9.274   2.948
  435    HD1  TRP  55           HD1      TRP  55 -10.049  -8.010   6.567
  436    HE1  TRP  55           HE1      TRP  55 -11.951  -8.908   8.053
  437    HE3  TRP  55           HE3      TRP  55 -12.550 -10.796   3.087
  438    HZ2  TRP  55           HZ2      TRP  55 -14.212 -10.577   7.784
  439    HZ3  TRP  55           HZ3      TRP  55 -14.573 -12.012   3.782
  440    HH2  TRP  55           HH2      TRP  55 -15.386 -11.904   6.082
  Start of MODEL    6
    1    H    MET   1           H        MET   1  -7.403   3.528   0.427
    2    HA   MET   1           HA       MET   1  -5.499   2.377   2.159
    3   1HB   MET   1          1HB       MET   1  -4.456   4.579   2.187
    4   2HB   MET   1          2HB       MET   1  -4.959   4.174   0.555
    5   1HG   MET   1          1HG       MET   1  -6.900   5.595   0.759
    6   2HG   MET   1          2HG       MET   1  -6.512   5.929   2.445
    7   1HE   MET   1          1HE       MET   1  -3.803   6.304   2.790
    8   2HE   MET   1          2HE       MET   1  -3.087   7.753   2.080
    9   3HE   MET   1          3HE       MET   1  -2.925   6.200   1.262
   10    H    ILE   2           H        ILE   2  -4.812   4.174   4.031
   11    HA   ILE   2           HA       ILE   2  -7.133   4.283   5.839
   12    HB   ILE   2           HB       ILE   2  -4.237   3.760   6.517
   13   1HG1  ILE   2          1HG1      ILE   2  -5.168   1.582   7.366
   14   2HG1  ILE   2          2HG1      ILE   2  -6.701   2.012   6.612
   15   1HG2  ILE   2          1HG2      ILE   2  -5.514   5.154   8.188
   16   2HG2  ILE   2          2HG2      ILE   2  -4.815   3.658   8.801
   17   3HG2  ILE   2          3HG2      ILE   2  -6.540   3.743   8.443
   18   1HD1  ILE   2          1HD1      ILE   2  -4.474   2.227   4.773
   19   2HD1  ILE   2          2HD1      ILE   2  -6.003   1.362   4.613
   20   3HD1  ILE   2          3HD1      ILE   2  -4.646   0.607   5.450
   21    HA   PRO   3           HA       PRO   3  -6.226   8.674   6.064
   22   1HB   PRO   3          1HB       PRO   3  -7.530   9.309   8.300
   23   2HB   PRO   3          2HB       PRO   3  -8.442   8.777   6.876
   24   1HG   PRO   3          1HG       PRO   3  -7.473   7.124   9.209
   25   2HG   PRO   3          2HG       PRO   3  -9.147   7.288   8.606
   26   1HD   PRO   3          1HD       PRO   3  -7.643   5.221   7.824
   27   2HD   PRO   3          2HD       PRO   3  -8.684   6.056   6.652
   28    H    VAL   4           H        VAL   4  -4.868  10.075   7.407
   29    HA   VAL   4           HA       VAL   4  -3.122  10.470   8.819
   30    HB   VAL   4           HB       VAL   4  -4.854   8.544  10.334
   31   1HG1  VAL   4          1HG1      VAL   4  -2.115   9.414  11.273
   32   2HG1  VAL   4          2HG1      VAL   4  -2.698   7.765  11.045
   33   3HG1  VAL   4          3HG1      VAL   4  -3.371   8.767  12.330
   34   1HG2  VAL   4          1HG2      VAL   4  -5.661  10.679  10.533
   35   2HG2  VAL   4          2HG2      VAL   4  -4.057  11.412  10.516
   36   3HG2  VAL   4          3HG2      VAL   4  -4.631  10.580  11.961
   37    H    ARG   5           H        ARG   5  -1.091   9.488   9.614
   38    HA   ARG   5           HA       ARG   5   0.655   7.991   9.571
   39   1HB   ARG   5          1HB       ARG   5  -1.546   6.288   9.314
   40   2HB   ARG   5          2HB       ARG   5  -0.497   5.863   7.966
   41   1HG   ARG   5          1HG       ARG   5   0.128   4.453   9.735
   42   2HG   ARG   5          2HG       ARG   5   1.378   5.697   9.658
   43   1HD   ARG   5          1HD       ARG   5   0.803   5.349  11.957
   44   2HD   ARG   5          2HD       ARG   5   0.184   6.924  11.460
   45    HE   ARG   5           HE       ARG   5  -1.918   5.250  11.065
   46   1HH1  ARG   5          1HH1      ARG   5   0.157   5.942  13.773
   47   2HH1  ARG   5          2HH1      ARG   5  -1.060   5.607  14.959
   48   1HH2  ARG   5          1HH2      ARG   5  -3.530   4.806  12.617
   49   2HH2  ARG   5          2HH2      ARG   5  -3.156   4.961  14.301
   50    H    CYS   6           H        CYS   6   1.400   6.233   7.484
   51    HA   CYS   6           HA       CYS   6   1.638   8.102   5.221
   52   1HB   CYS   6          1HB       CYS   6   3.679   7.106   6.864
   53   2HB   CYS   6          2HB       CYS   6   3.810   6.203   5.359
   54    H    LEU   7           H        LEU   7   0.246   7.360   3.795
   55    HA   LEU   7           HA       LEU   7   0.664   4.643   2.786
   56   1HB   LEU   7          1HB       LEU   7  -1.911   6.026   3.445
   57   2HB   LEU   7          2HB       LEU   7  -1.866   4.857   2.149
   58    HG   LEU   7           HG       LEU   7  -2.424   3.341   3.686
   59   1HD1  LEU   7          1HD1      LEU   7   0.190   3.715   5.093
   60   2HD1  LEU   7          2HD1      LEU   7   0.105   2.992   3.488
   61   3HD1  LEU   7          3HD1      LEU   7  -0.735   2.241   4.839
   62   1HD2  LEU   7          1HD2      LEU   7  -3.214   5.015   5.177
   63   2HD2  LEU   7          2HD2      LEU   7  -1.584   5.360   5.749
   64   3HD2  LEU   7          3HD2      LEU   7  -2.338   3.810   6.119
   65    H    SER   8           H        SER   8   1.885   6.997   1.945
   66    HA   SER   8           HA       SER   8   1.319   7.012  -0.817
   67   1HB   SER   8          1HB       SER   8   0.229   9.296   0.818
   68   2HB   SER   8          2HB       SER   8   0.679   9.515  -0.873
   69    HG   SER   8           HG       SER   8  -0.905   8.155  -1.487
   70    H    CYS   9           H        CYS   9   2.395   9.406   1.598
   71    HA   CYS   9           HA       CYS   9   4.425  10.374   1.966
   72   1HB   CYS   9          1HB       CYS   9   5.081   7.842   0.970
   73   2HB   CYS   9          2HB       CYS   9   6.052   8.966   0.026
   74    H    GLY  10           H        GLY  10   2.675  10.638  -0.741
   75   1HA   GLY  10          1HA       GLY  10   3.492  13.084  -1.561
   76   2HA   GLY  10          2HA       GLY  10   4.564  12.005  -2.441
   77    H    LYS  11           H        LYS  11   2.758   9.893  -2.907
   78    HA   LYS  11           HA       LYS  11   0.763  11.203  -4.628
   79   1HB   LYS  11          1HB       LYS  11   2.964   9.493  -5.367
   80   2HB   LYS  11          2HB       LYS  11   1.433   8.765  -5.844
   81   1HG   LYS  11          1HG       LYS  11   2.453  10.182  -7.596
   82   2HG   LYS  11          2HG       LYS  11   0.842  10.716  -7.110
   83   1HD   LYS  11          1HD       LYS  11   1.674  12.534  -5.912
   84   2HD   LYS  11          2HD       LYS  11   3.299  11.859  -5.844
   85   1HE   LYS  11          1HE       LYS  11   3.825  12.542  -7.957
   86   2HE   LYS  11          2HE       LYS  11   2.158  12.433  -8.522
   87   1HZ   LYS  11          1HZ       LYS  11   3.131  14.532  -6.664
   88   2HZ   LYS  11          2HZ       LYS  11   1.630  14.468  -7.443
   89   3HZ   LYS  11          3HZ       LYS  11   3.038  14.733  -8.342
   90    HA   PRO  12           HA       PRO  12  -2.332   8.592  -2.943
   91   1HB   PRO  12          1HB       PRO  12  -3.363   8.052  -5.653
   92   2HB   PRO  12          2HB       PRO  12  -4.143   8.869  -4.296
   93   1HG   PRO  12          1HG       PRO  12  -3.302  10.231  -6.445
   94   2HG   PRO  12          2HG       PRO  12  -3.196  10.916  -4.813
   95   1HD   PRO  12          1HD       PRO  12  -1.046   9.670  -6.487
   96   2HD   PRO  12          2HD       PRO  12  -0.976  11.121  -5.465
   97    H    VAL  13           H        VAL  13  -2.544   6.499  -2.380
   98    HA   VAL  13           HA       VAL  13  -1.138   4.511  -4.031
   99    HB   VAL  13           HB       VAL  13  -0.789   3.194  -2.059
  100   1HG1  VAL  13          1HG1      VAL  13  -0.167   6.113  -1.684
  101   2HG1  VAL  13          2HG1      VAL  13   0.880   4.850  -2.327
  102   3HG1  VAL  13          3HG1      VAL  13   0.458   4.857  -0.614
  103   1HG2  VAL  13          1HG2      VAL  13  -1.590   3.842   0.145
  104   2HG2  VAL  13          2HG2      VAL  13  -2.947   3.627  -0.963
  105   3HG2  VAL  13          3HG2      VAL  13  -2.400   5.250  -0.547
  106    H    SER  14           H        SER  14  -4.193   5.381  -2.674
  107    HA   SER  14           HA       SER  14  -5.521   2.944  -2.600
  108   1HB   SER  14          1HB       SER  14  -6.871   5.454  -3.574
  109   2HB   SER  14          2HB       SER  14  -7.528   4.169  -2.555
  110    HG   SER  14           HG       SER  14  -7.073   5.798  -1.176
  111    H    ALA  15           H        ALA  15  -5.084   5.169  -5.329
  112    HA   ALA  15           HA       ALA  15  -6.630   3.699  -7.179
  113   1HB   ALA  15          1HB       ALA  15  -6.049   6.044  -7.525
  114   2HB   ALA  15          2HB       ALA  15  -5.540   5.052  -8.891
  115   3HB   ALA  15          3HB       ALA  15  -4.351   5.602  -7.709
  116    H    TYR  16           H        TYR  16  -3.275   3.495  -6.178
  117    HA   TYR  16           HA       TYR  16  -2.597   1.608  -8.261
  118   1HB   TYR  16          1HB       TYR  16  -1.153   3.034  -6.091
  119   2HB   TYR  16          2HB       TYR  16  -0.476   1.509  -6.643
  120    HD1  TYR  16           HD1      TYR  16  -0.802   5.006  -7.319
  121    HD2  TYR  16           HD2      TYR  16   0.022   1.244  -9.128
  122    HE1  TYR  16           HE1      TYR  16   0.240   6.159  -9.225
  123    HE2  TYR  16           HE2      TYR  16   1.067   2.386 -11.040
  124    HH   TYR  16           HH       TYR  16   1.047   4.544 -12.131
  125    H    PHE  17           H        PHE  17  -3.688   1.556  -4.979
  126    HA   PHE  17           HA       PHE  17  -2.805  -0.818  -3.961
  127   1HB   PHE  17          1HB       PHE  17  -5.369   0.678  -3.719
  128   2HB   PHE  17          2HB       PHE  17  -5.336  -0.970  -3.104
  129    HD1  PHE  17           HD1      PHE  17  -2.225   0.876  -2.951
  130    HD2  PHE  17           HD2      PHE  17  -5.845   0.005  -0.884
  131    HE1  PHE  17           HE1      PHE  17  -1.221   1.683  -0.852
  132    HE2  PHE  17           HE2      PHE  17  -4.843   0.810   1.214
  133    HZ   PHE  17           HZ       PHE  17  -2.530   1.648   1.231
  134    H    ASN  18           H        ASN  18  -5.021  -0.338  -6.596
  135    HA   ASN  18           HA       ASN  18  -6.155  -2.905  -6.737
  136   1HB   ASN  18          1HB       ASN  18  -6.221  -0.536  -8.272
  137   2HB   ASN  18          2HB       ASN  18  -5.706  -1.816  -9.366
  138   1HD2  ASN  18          1HD2      ASN  18  -7.132  -3.347 -10.001
  139   2HD2  ASN  18          2HD2      ASN  18  -8.809  -3.346  -9.562
  140    H    GLU  19           H        GLU  19  -3.199  -1.539  -8.131
  141    HA   GLU  19           HA       GLU  19  -2.358  -3.709  -9.654
  142   1HB   GLU  19          1HB       GLU  19  -1.323  -1.287  -9.187
  143   2HB   GLU  19          2HB       GLU  19  -0.312  -2.212  -8.087
  144   1HG   GLU  19          1HG       GLU  19   0.904  -2.140 -10.064
  145   2HG   GLU  19          2HG       GLU  19   0.157  -3.737 -10.076
  146    H    TYR  20           H        TYR  20  -1.706  -2.958  -6.249
  147    HA   TYR  20           HA       TYR  20  -0.153  -5.164  -5.590
  148   1HB   TYR  20          1HB       TYR  20  -0.417  -3.397  -4.002
  149   2HB   TYR  20          2HB       TYR  20  -2.161  -3.600  -3.963
  150    HD1  TYR  20           HD1      TYR  20   1.016  -4.725  -2.635
  151    HD2  TYR  20           HD2      TYR  20  -3.153  -5.557  -2.804
  152    HE1  TYR  20           HE1      TYR  20   1.242  -6.216  -0.691
  153    HE2  TYR  20           HE2      TYR  20  -2.940  -7.049  -0.861
  154    HH   TYR  20           HH       TYR  20  -0.166  -8.309   0.195
  155    H    GLN  21           H        GLN  21  -3.681  -4.814  -5.489
  156    HA   GLN  21           HA       GLN  21  -4.291  -7.405  -4.615
  157   1HB   GLN  21          1HB       GLN  21  -5.985  -5.695  -4.586
  158   2HB   GLN  21          2HB       GLN  21  -5.863  -5.475  -6.326
  159   1HG   GLN  21          1HG       GLN  21  -6.927  -7.496  -6.777
  160   2HG   GLN  21          2HG       GLN  21  -6.699  -8.089  -5.133
  161   1HE2  GLN  21          1HE2      GLN  21  -7.599  -6.119  -3.578
  162   2HE2  GLN  21          2HE2      GLN  21  -9.268  -5.796  -3.880
  163    H    ARG  22           H        ARG  22  -4.233  -6.093  -7.927
  164    HA   ARG  22           HA       ARG  22  -4.811  -8.428  -9.307
  165   1HB   ARG  22          1HB       ARG  22  -3.148  -6.021 -10.028
  166   2HB   ARG  22          2HB       ARG  22  -3.401  -7.341 -11.164
  167   1HG   ARG  22          1HG       ARG  22  -5.937  -6.899 -10.533
  168   2HG   ARG  22          2HG       ARG  22  -5.299  -5.291 -10.180
  169   1HD   ARG  22          1HD       ARG  22  -4.171  -5.517 -12.510
  170   2HD   ARG  22          2HD       ARG  22  -5.384  -6.768 -12.779
  171    HE   ARG  22           HE       ARG  22  -6.924  -5.118 -13.069
  172   1HH1  ARG  22          1HH1      ARG  22  -4.263  -3.830 -11.230
  173   2HH1  ARG  22          2HH1      ARG  22  -4.890  -2.216 -11.207
  174   1HH2  ARG  22          1HH2      ARG  22  -7.760  -2.995 -13.045
  175   2HH2  ARG  22          2HH2      ARG  22  -6.879  -1.741 -12.240
  176    H    ARG  23           H        ARG  23  -1.606  -7.104  -8.500
  177    HA   ARG  23           HA       ARG  23  -0.085  -9.189  -9.558
  178   1HB   ARG  23          1HB       ARG  23   0.379  -6.890  -7.911
  179   2HB   ARG  23          2HB       ARG  23   1.337  -8.263  -7.357
  180   1HG   ARG  23          1HG       ARG  23   2.754  -7.503  -8.929
  181   2HG   ARG  23          2HG       ARG  23   1.751  -8.491  -9.978
  182   1HD   ARG  23          1HD       ARG  23   0.400  -6.533 -10.529
  183   2HD   ARG  23          2HD       ARG  23   1.428  -5.533  -9.501
  184    HE   ARG  23           HE       ARG  23   2.958  -5.450 -11.192
  185   1HH1  ARG  23          1HH1      ARG  23   0.800  -8.121 -11.765
  186   2HH1  ARG  23          2HH1      ARG  23   1.449  -8.478 -13.330
  187   1HH2  ARG  23          1HH2      ARG  23   3.822  -5.910 -13.252
  188   2HH2  ARG  23          2HH2      ARG  23   3.168  -7.221 -14.176
  189    H    VAL  24           H        VAL  24  -0.691  -8.633  -6.081
  190    HA   VAL  24           HA       VAL  24   0.206 -11.031  -5.098
  191    HB   VAL  24           HB       VAL  24  -2.203  -9.505  -4.097
  192   1HG1  VAL  24          1HG1      VAL  24  -2.296 -11.545  -2.987
  193   2HG1  VAL  24          2HG1      VAL  24  -1.367 -10.530  -1.881
  194   3HG1  VAL  24          3HG1      VAL  24  -0.540 -11.697  -2.915
  195   1HG2  VAL  24          1HG2      VAL  24   0.576  -8.832  -4.168
  196   2HG2  VAL  24          2HG2      VAL  24   0.063  -9.048  -2.494
  197   3HG2  VAL  24          3HG2      VAL  24  -0.779  -7.899  -3.532
  198    H    ALA  25           H        ALA  25  -2.899 -10.332  -6.593
  199    HA   ALA  25           HA       ALA  25  -4.312 -12.631  -5.951
  200   1HB   ALA  25          1HB       ALA  25  -5.252 -12.180  -8.411
  201   2HB   ALA  25          2HB       ALA  25  -4.413 -10.651  -8.146
  202   3HB   ALA  25          3HB       ALA  25  -5.673 -11.172  -7.026
  203    H    ASP  26           H        ASP  26  -2.303 -12.053  -8.841
  204    HA   ASP  26           HA       ASP  26  -2.505 -14.735  -9.768
  205   1HB   ASP  26          1HB       ASP  26  -1.930 -12.589 -11.098
  206   2HB   ASP  26          2HB       ASP  26  -0.284 -12.851 -10.527
  207    H    GLY  27           H        GLY  27  -0.035 -12.941  -7.968
  208   1HA   GLY  27          1HA       GLY  27   0.984 -14.463  -6.192
  209   2HA   GLY  27          2HA       GLY  27   1.409 -15.482  -7.560
  210    H    GLU  28           H        GLU  28   1.542 -11.950  -7.438
  211    HA   GLU  28           HA       GLU  28   4.392 -12.122  -8.049
  212   1HB   GLU  28          1HB       GLU  28   2.402  -9.870  -8.363
  213   2HB   GLU  28          2HB       GLU  28   4.117  -9.717  -8.707
  214   1HG   GLU  28          1HG       GLU  28   3.195 -11.988 -10.098
  215   2HG   GLU  28          2HG       GLU  28   2.040 -10.688 -10.384
  216    H    ASP  29           H        ASP  29   5.942 -10.969  -6.905
  217    HA   ASP  29           HA       ASP  29   5.545 -10.707  -4.133
  218   1HB   ASP  29          1HB       ASP  29   7.727 -10.676  -5.891
  219   2HB   ASP  29          2HB       ASP  29   7.764  -9.110  -5.084
  220    HA   PRO  30           HA       PRO  30   3.268  -6.806  -4.318
  221   1HB   PRO  30          1HB       PRO  30   3.918  -6.877  -1.417
  222   2HB   PRO  30          2HB       PRO  30   2.373  -6.608  -2.224
  223   1HG   PRO  30          1HG       PRO  30   2.920  -8.942  -1.046
  224   2HG   PRO  30          2HG       PRO  30   1.997  -8.866  -2.558
  225   1HD   PRO  30          1HD       PRO  30   4.835  -9.658  -2.106
  226   2HD   PRO  30          2HD       PRO  30   3.662 -10.278  -3.284
  227    H    LYS  31           H        LYS  31   6.301  -7.280  -2.536
  228    HA   LYS  31           HA       LYS  31   7.060  -4.679  -2.074
  229   1HB   LYS  31          1HB       LYS  31   8.344  -7.222  -2.149
  230   2HB   LYS  31          2HB       LYS  31   9.364  -6.066  -2.990
  231   1HG   LYS  31          1HG       LYS  31   9.652  -4.746  -1.103
  232   2HG   LYS  31          2HG       LYS  31   8.232  -5.420  -0.300
  233   1HD   LYS  31          1HD       LYS  31   9.480  -6.968   0.693
  234   2HD   LYS  31          2HD       LYS  31  10.089  -7.521  -0.869
  235   1HE   LYS  31          1HE       LYS  31  11.267  -5.007   0.068
  236   2HE   LYS  31          2HE       LYS  31  11.606  -6.396   1.101
  237   1HZ   LYS  31          1HZ       LYS  31  12.031  -7.370  -1.386
  238   2HZ   LYS  31          2HZ       LYS  31  13.236  -6.809  -0.340
  239   3HZ   LYS  31          3HZ       LYS  31  12.600  -5.782  -1.525
  240    H    ASP  32           H        ASP  32   7.346  -6.545  -5.056
  241    HA   ASP  32           HA       ASP  32   8.690  -4.530  -6.550
  242   1HB   ASP  32          1HB       ASP  32   7.934  -7.176  -6.991
  243   2HB   ASP  32          2HB       ASP  32   6.957  -6.258  -8.134
  244    H    VAL  33           H        VAL  33   5.326  -5.396  -5.992
  245    HA   VAL  33           HA       VAL  33   4.126  -3.641  -7.819
  246    HB   VAL  33           HB       VAL  33   3.037  -4.530  -5.145
  247   1HG1  VAL  33          1HG1      VAL  33   1.054  -3.600  -5.670
  248   2HG1  VAL  33          2HG1      VAL  33   1.210  -3.985  -7.385
  249   3HG1  VAL  33          3HG1      VAL  33   2.025  -2.568  -6.721
  250   1HG2  VAL  33          1HG2      VAL  33   1.799  -6.199  -6.625
  251   2HG2  VAL  33          2HG2      VAL  33   3.512  -6.500  -6.329
  252   3HG2  VAL  33          3HG2      VAL  33   2.993  -5.805  -7.864
  253    H    LEU  34           H        LEU  34   4.926  -3.198  -4.368
  254    HA   LEU  34           HA       LEU  34   3.934  -0.670  -3.955
  255   1HB   LEU  34          1HB       LEU  34   6.350  -2.073  -2.890
  256   2HB   LEU  34          2HB       LEU  34   6.063  -0.401  -2.467
  257    HG   LEU  34           HG       LEU  34   5.236  -2.107  -0.800
  258   1HD1  LEU  34          1HD1      LEU  34   2.849  -0.600  -1.669
  259   2HD1  LEU  34          2HD1      LEU  34   4.313   0.341  -1.376
  260   3HD1  LEU  34          3HD1      LEU  34   3.642  -0.668  -0.094
  261   1HD2  LEU  34          1HD2      LEU  34   2.963  -3.042  -1.384
  262   2HD2  LEU  34          2HD2      LEU  34   4.343  -3.801  -2.174
  263   3HD2  LEU  34          3HD2      LEU  34   3.340  -2.655  -3.062
  264    H    ASP  35           H        ASP  35   7.023  -1.567  -5.432
  265    HA   ASP  35           HA       ASP  35   8.046   1.013  -5.791
  266   1HB   ASP  35          1HB       ASP  35   9.043  -1.418  -6.276
  267   2HB   ASP  35          2HB       ASP  35   8.521  -1.028  -7.913
  268    H    ASP  36           H        ASP  36   5.701  -0.862  -7.567
  269    HA   ASP  36           HA       ASP  36   5.514   1.027  -9.750
  270   1HB   ASP  36          1HB       ASP  36   4.414  -1.628  -9.103
  271   2HB   ASP  36          2HB       ASP  36   3.300  -0.574  -9.966
  272    H    LEU  37           H        LEU  37   3.680   0.127  -6.880
  273    HA   LEU  37           HA       LEU  37   1.353   1.562  -7.209
  274   1HB   LEU  37          1HB       LEU  37   2.994   0.775  -4.859
  275   2HB   LEU  37          2HB       LEU  37   1.709   1.931  -4.601
  276    HG   LEU  37           HG       LEU  37   0.767  -0.357  -6.114
  277   1HD1  LEU  37          1HD1      LEU  37   0.811  -1.894  -4.126
  278   2HD1  LEU  37          2HD1      LEU  37   2.041  -0.837  -3.431
  279   3HD1  LEU  37          3HD1      LEU  37   2.355  -1.677  -4.948
  280   1HD2  LEU  37          1HD2      LEU  37  -0.145   0.405  -3.381
  281   2HD2  LEU  37          2HD2      LEU  37  -1.084  -0.113  -4.781
  282   3HD2  LEU  37          3HD2      LEU  37  -0.411   1.517  -4.723
  283    H    GLY  38           H        GLY  38   4.561   2.694  -6.414
  284   1HA   GLY  38          1HA       GLY  38   5.195   4.945  -7.005
  285   2HA   GLY  38          2HA       GLY  38   3.552   5.441  -6.633
  286    H    LEU  39           H        LEU  39   3.106   4.359  -4.208
  287    HA   LEU  39           HA       LEU  39   3.976   6.137  -2.391
  288   1HB   LEU  39          1HB       LEU  39   3.933   3.877  -0.817
  289   2HB   LEU  39          2HB       LEU  39   2.562   4.896  -1.204
  290    HG   LEU  39           HG       LEU  39   1.938   3.402  -3.037
  291   1HD1  LEU  39          1HD1      LEU  39   3.257   1.092  -2.841
  292   2HD1  LEU  39          2HD1      LEU  39   4.566   2.198  -2.421
  293   3HD1  LEU  39          3HD1      LEU  39   3.725   2.370  -3.962
  294   1HD2  LEU  39          1HD2      LEU  39   1.410   3.012  -0.503
  295   2HD2  LEU  39          2HD2      LEU  39   2.393   1.567  -0.744
  296   3HD2  LEU  39          3HD2      LEU  39   0.947   1.823  -1.720
  297    H    LYS  40           H        LYS  40   5.954   6.838  -1.992
  298    HA   LYS  40           HA       LYS  40   8.231   5.045  -2.102
  299   1HB   LYS  40          1HB       LYS  40   8.057   8.014  -1.568
  300   2HB   LYS  40          2HB       LYS  40   9.556   7.110  -1.720
  301   1HG   LYS  40          1HG       LYS  40   7.613   6.913  -3.948
  302   2HG   LYS  40          2HG       LYS  40   8.480   8.438  -3.746
  303   1HD   LYS  40          1HD       LYS  40   9.833   5.748  -3.880
  304   2HD   LYS  40          2HD       LYS  40   9.586   6.793  -5.281
  305   1HE   LYS  40          1HE       LYS  40  11.375   7.997  -4.758
  306   2HE   LYS  40          2HE       LYS  40  10.738   8.308  -3.143
  307   1HZ   LYS  40          1HZ       LYS  40  11.935   6.619  -2.242
  308   2HZ   LYS  40          2HZ       LYS  40  12.979   7.017  -3.512
  309   3HZ   LYS  40          3HZ       LYS  40  11.938   5.691  -3.655
  310    H    ARG  41           H        ARG  41   9.948   5.441  -0.321
  311    HA   ARG  41           HA       ARG  41  10.584   5.116   1.839
  312   1HB   ARG  41          1HB       ARG  41   8.084   6.737   2.326
  313   2HB   ARG  41          2HB       ARG  41   9.164   6.228   3.618
  314   1HG   ARG  41          1HG       ARG  41  10.182   7.778   1.266
  315   2HG   ARG  41          2HG       ARG  41   9.443   8.583   2.653
  316   1HD   ARG  41          1HD       ARG  41  11.112   7.839   4.119
  317   2HD   ARG  41          2HD       ARG  41  11.672   6.604   2.990
  318    HE   ARG  41           HE       ARG  41  12.000   9.165   1.854
  319   1HH1  ARG  41          1HH1      ARG  41  13.326   7.093   4.317
  320   2HH1  ARG  41          2HH1      ARG  41  14.910   7.788   4.232
  321   1HH2  ARG  41          1HH2      ARG  41  14.082  10.089   1.733
  322   2HH2  ARG  41          2HH2      ARG  41  15.340   9.492   2.761
  323    H    TYR  42           H        TYR  42  10.505   3.323   3.043
  324    HA   TYR  42           HA       TYR  42   8.440   1.433   2.635
  325   1HB   TYR  42          1HB       TYR  42   9.656   0.051   4.279
  326   2HB   TYR  42          2HB       TYR  42  10.738   0.727   3.066
  327    HD1  TYR  42           HD1      TYR  42  12.709   1.696   3.780
  328    HD2  TYR  42           HD2      TYR  42   9.417   1.524   6.470
  329    HE1  TYR  42           HE1      TYR  42  14.119   2.641   5.557
  330    HE2  TYR  42           HE2      TYR  42  10.819   2.469   8.256
  331    HH   TYR  42           HH       TYR  42  13.253   2.614   8.807
  332    H    CYS  43           H        CYS  43   8.831   3.963   4.928
  333    HA   CYS  43           HA       CYS  43   7.522   3.093   7.167
  334   1HB   CYS  43          1HB       CYS  43   6.706   5.431   7.443
  335   2HB   CYS  43          2HB       CYS  43   8.417   5.331   7.038
  336    H    CYS  44           H        CYS  44   6.187   3.761   4.025
  337    HA   CYS  44           HA       CYS  44   3.441   3.413   4.937
  338   1HB   CYS  44          1HB       CYS  44   4.112   3.498   2.034
  339   2HB   CYS  44          2HB       CYS  44   2.758   4.237   2.896
  340    H    ARG  45           H        ARG  45   5.551   1.881   2.497
  341    HA   ARG  45           HA       ARG  45   3.997  -0.309   1.920
  342   1HB   ARG  45          1HB       ARG  45   6.999  -0.441   2.168
  343   2HB   ARG  45          2HB       ARG  45   5.971  -1.409   1.125
  344   1HG   ARG  45          1HG       ARG  45   6.027   0.105  -0.493
  345   2HG   ARG  45          2HG       ARG  45   5.646   1.422   0.616
  346   1HD   ARG  45          1HD       ARG  45   7.779   2.071   0.723
  347   2HD   ARG  45          2HD       ARG  45   8.348   0.420   0.970
  348    HE   ARG  45           HE       ARG  45   7.589   0.879  -1.736
  349   1HH1  ARG  45          1HH1      ARG  45  10.131   1.418   0.582
  350   2HH1  ARG  45          2HH1      ARG  45  11.381   1.507  -0.614
  351   1HH2  ARG  45          1HH2      ARG  45   9.229   0.994  -3.321
  352   2HH2  ARG  45          2HH2      ARG  45  10.868   1.265  -2.833
  353    H    ARG  46           H        ARG  46   6.576  -0.186   4.396
  354    HA   ARG  46           HA       ARG  46   6.478  -2.685   5.430
  355   1HB   ARG  46          1HB       ARG  46   7.095  -1.741   7.614
  356   2HB   ARG  46          2HB       ARG  46   7.979  -0.975   6.300
  357   1HG   ARG  46          1HG       ARG  46   7.359   0.970   7.161
  358   2HG   ARG  46          2HG       ARG  46   5.721   0.602   6.619
  359   1HD   ARG  46          1HD       ARG  46   5.058  -0.142   8.713
  360   2HD   ARG  46          2HD       ARG  46   6.713  -0.450   9.236
  361    HE   ARG  46           HE       ARG  46   5.265   1.976   9.521
  362   1HH1  ARG  46          1HH1      ARG  46   8.455   0.709   8.925
  363   2HH1  ARG  46          2HH1      ARG  46   9.267   2.089   9.583
  364   1HH2  ARG  46          1HH2      ARG  46   6.325   3.798  10.391
  365   2HH2  ARG  46          2HH2      ARG  46   8.056   3.846  10.417
  366    H    MET  47           H        MET  47   4.090  -0.173   5.882
  367    HA   MET  47           HA       MET  47   2.567  -1.763   7.772
  368   1HB   MET  47          1HB       MET  47   1.877   0.877   6.472
  369   2HB   MET  47          2HB       MET  47   1.038   0.136   7.825
  370   1HG   MET  47          1HG       MET  47   3.190   0.294   9.110
  371   2HG   MET  47          2HG       MET  47   3.821   1.265   7.781
  372   1HE   MET  47          1HE       MET  47   1.798   3.038   6.761
  373   2HE   MET  47          2HE       MET  47   0.868   4.052   7.863
  374   3HE   MET  47          3HE       MET  47   0.340   2.404   7.524
  375    H    LEU  48           H        LEU  48   2.487  -0.799   4.407
  376    HA   LEU  48           HA       LEU  48  -0.130  -1.863   3.921
  377   1HB   LEU  48          1HB       LEU  48   1.975  -1.140   1.887
  378   2HB   LEU  48          2HB       LEU  48   0.249  -1.291   1.616
  379    HG   LEU  48           HG       LEU  48   1.198   0.714   3.599
  380   1HD1  LEU  48          1HD1      LEU  48   2.193   0.672   0.974
  381   2HD1  LEU  48          2HD1      LEU  48   2.297   1.982   2.150
  382   3HD1  LEU  48          3HD1      LEU  48   0.947   1.919   1.020
  383   1HD2  LEU  48          1HD2      LEU  48  -1.055   0.835   3.558
  384   2HD2  LEU  48          2HD2      LEU  48  -1.170   0.185   1.924
  385   3HD2  LEU  48          3HD2      LEU  48  -0.742   1.877   2.171
  386    H    ILE  49           H        ILE  49   2.976  -2.732   2.385
  387    HA   ILE  49           HA       ILE  49   2.251  -5.061   1.198
  388    HB   ILE  49           HB       ILE  49   4.609  -5.903   1.662
  389   1HG1  ILE  49          1HG1      ILE  49   5.447  -3.214   2.477
  390   2HG1  ILE  49          2HG1      ILE  49   4.534  -4.076   3.713
  391   1HG2  ILE  49          1HG2      ILE  49   4.085  -3.232   0.378
  392   2HG2  ILE  49          2HG2      ILE  49   4.130  -4.818  -0.394
  393   3HG2  ILE  49          3HG2      ILE  49   5.614  -4.098   0.228
  394   1HD1  ILE  49          1HD1      ILE  49   7.093  -4.922   2.396
  395   2HD1  ILE  49          2HD1      ILE  49   6.121  -5.990   3.408
  396   3HD1  ILE  49          3HD1      ILE  49   6.821  -4.522   4.092
  397    H    SER  50           H        SER  50   2.905  -4.621   4.614
  398    HA   SER  50           HA       SER  50   2.687  -7.457   5.166
  399   1HB   SER  50          1HB       SER  50   2.898  -5.157   7.121
  400   2HB   SER  50          2HB       SER  50   3.164  -6.866   7.468
  401    HG   SER  50           HG       SER  50   5.078  -5.477   7.049
  402    H    HIS  51           H        HIS  51   0.887  -4.522   6.120
  403    HA   HIS  51           HA       HIS  51  -1.239  -6.115   7.238
  404   1HB   HIS  51          1HB       HIS  51  -0.379  -3.819   8.070
  405   2HB   HIS  51          2HB       HIS  51  -1.390  -3.147   6.796
  406    HD2  HIS  51           HD2      HIS  51  -3.864  -2.585   7.622
  407    HE1  HIS  51           HE1      HIS  51  -4.003  -5.311  10.859
  408    HE2  HIS  51           HE2      HIS  51  -5.258  -3.489   9.617
  409    H    VAL  52           H        VAL  52  -1.068  -3.716   4.598
  410    HA   VAL  52           HA       VAL  52  -3.590  -3.730   3.666
  411    HB   VAL  52           HB       VAL  52  -1.130  -2.905   2.651
  412   1HG1  VAL  52          1HG1      VAL  52  -2.543  -4.524   0.539
  413   2HG1  VAL  52          2HG1      VAL  52  -0.927  -4.816   1.182
  414   3HG1  VAL  52          3HG1      VAL  52  -1.252  -3.360   0.240
  415   1HG2  VAL  52          1HG2      VAL  52  -3.874  -2.511   1.480
  416   2HG2  VAL  52          2HG2      VAL  52  -2.468  -1.477   1.222
  417   3HG2  VAL  52          3HG2      VAL  52  -3.186  -1.603   2.828
  418    H    GLU  53           H        GLU  53  -4.939  -5.358   3.460
  419    HA   GLU  53           HA       GLU  53  -4.004  -7.862   2.233
  420   1HB   GLU  53          1HB       GLU  53  -5.589  -7.325   4.538
  421   2HB   GLU  53          2HB       GLU  53  -6.610  -8.141   3.363
  422   1HG   GLU  53          1HG       GLU  53  -4.613  -9.789   3.173
  423   2HG   GLU  53          2HG       GLU  53  -4.153  -9.113   4.735
  424    H    THR  54           H        THR  54  -6.400  -5.325   2.064
  425    HA   THR  54           HA       THR  54  -7.948  -4.752   0.497
  426    HB   THR  54           HB       THR  54  -7.326  -4.859  -1.742
  427    HG1  THR  54           HG1      THR  54  -6.239  -7.360  -1.038
  428   1HG2  THR  54          1HG2      THR  54  -4.554  -5.318  -1.089
  429   2HG2  THR  54          2HG2      THR  54  -5.340  -4.340   0.151
  430   3HG2  THR  54          3HG2      THR  54  -5.369  -3.817  -1.533
  431    H    TRP  55           H        TRP  55  -8.250  -7.300   1.992
  432    HA   TRP  55           HA       TRP  55 -10.090  -8.649   0.127
  433   1HB   TRP  55          1HB       TRP  55  -7.980  -9.732   1.822
  434   2HB   TRP  55          2HB       TRP  55  -9.536 -10.496   2.127
  435    HD1  TRP  55           HD1      TRP  55 -10.811 -11.129  -0.459
  436    HE1  TRP  55           HE1      TRP  55  -9.697 -12.500  -2.332
  437    HE3  TRP  55           HE3      TRP  55  -5.917 -10.490   0.870
  438    HZ2  TRP  55           HZ2      TRP  55  -7.087 -13.216  -3.138
  439    HZ3  TRP  55           HZ3      TRP  55  -4.172 -11.550  -0.505
  440    HH2  TRP  55           HH2      TRP  55  -4.748 -12.884  -2.467
  Start of MODEL    7
    1    H    MET   1           H        MET   1  -7.176   6.095   0.960
    2    HA   MET   1           HA       MET   1  -6.078   4.099   2.515
    3   1HB   MET   1          1HB       MET   1  -4.301   5.799   3.085
    4   2HB   MET   1          2HB       MET   1  -4.613   5.599   1.370
    5   1HG   MET   1          1HG       MET   1  -4.729   7.824   1.326
    6   2HG   MET   1          2HG       MET   1  -6.334   7.611   2.023
    7   1HE   MET   1          1HE       MET   1  -2.900   7.362   4.750
    8   2HE   MET   1          2HE       MET   1  -2.401   8.655   3.660
    9   3HE   MET   1          3HE       MET   1  -2.862   7.083   3.013
   10    H    ILE   2           H        ILE   2  -4.861   4.887   4.696
   11    HA   ILE   2           HA       ILE   2  -7.027   5.431   6.579
   12    HB   ILE   2           HB       ILE   2  -4.232   4.509   7.200
   13   1HG1  ILE   2          1HG1      ILE   2  -6.693   2.773   7.052
   14   2HG1  ILE   2          2HG1      ILE   2  -5.586   2.964   5.695
   15   1HG2  ILE   2          1HG2      ILE   2  -5.592   5.579   9.019
   16   2HG2  ILE   2          2HG2      ILE   2  -5.019   3.944   9.346
   17   3HG2  ILE   2          3HG2      ILE   2  -6.699   4.214   8.879
   18   1HD1  ILE   2          1HD1      ILE   2  -5.406   1.049   7.611
   19   2HD1  ILE   2          2HD1      ILE   2  -4.274   2.266   8.203
   20   3HD1  ILE   2          3HD1      ILE   2  -4.076   1.591   6.585
   21    HA   PRO   3           HA       PRO   3  -5.414   9.552   7.241
   22   1HB   PRO   3          1HB       PRO   3  -6.652  10.162   9.528
   23   2HB   PRO   3          2HB       PRO   3  -7.587   9.952   8.038
   24   1HG   PRO   3          1HG       PRO   3  -7.030   7.934  10.209
   25   2HG   PRO   3          2HG       PRO   3  -8.612   8.431   9.551
   26   1HD   PRO   3          1HD       PRO   3  -7.393   6.222   8.650
   27   2HD   PRO   3          2HD       PRO   3  -8.256   7.296   7.530
   28    H    VAL   4           H        VAL   4  -4.229  10.745   9.025
   29    HA   VAL   4           HA       VAL   4  -2.579  10.872  10.591
   30    HB   VAL   4           HB       VAL   4  -4.250   8.575  11.478
   31   1HG1  VAL   4          1HG1      VAL   4  -2.742   8.399  13.560
   32   2HG1  VAL   4          2HG1      VAL   4  -1.469   9.033  12.516
   33   3HG1  VAL   4          3HG1      VAL   4  -2.271   7.513  12.109
   34   1HG2  VAL   4          1HG2      VAL   4  -3.315  10.744  13.265
   35   2HG2  VAL   4          2HG2      VAL   4  -4.903   9.992  13.121
   36   3HG2  VAL   4          3HG2      VAL   4  -4.378  11.180  11.929
   37    H    ARG   5           H        ARG   5  -2.659   7.349  10.201
   38    HA   ARG   5           HA       ARG   5   0.109   7.029  10.095
   39   1HB   ARG   5          1HB       ARG   5  -2.156   5.387  10.129
   40   2HB   ARG   5          2HB       ARG   5  -1.299   4.942   8.656
   41   1HG   ARG   5          1HG       ARG   5  -0.396   3.512  10.225
   42   2HG   ARG   5          2HG       ARG   5   0.780   4.828  10.199
   43   1HD   ARG   5          1HD       ARG   5   0.423   4.385  12.474
   44   2HD   ARG   5          2HD       ARG   5  -0.539   5.822  12.136
   45    HE   ARG   5           HE       ARG   5  -2.120   3.509  11.804
   46   1HH1  ARG   5          1HH1      ARG   5  -0.627   5.451  14.281
   47   2HH1  ARG   5          2HH1      ARG   5  -1.797   5.038  15.491
   48   1HH2  ARG   5          1HH2      ARG   5  -3.664   2.959  13.390
   49   2HH2  ARG   5          2HH2      ARG   5  -3.523   3.622  14.984
   50    H    CYS   6           H        CYS   6   1.069   5.679   8.179
   51    HA   CYS   6           HA       CYS   6   1.460   7.400   5.991
   52   1HB   CYS   6          1HB       CYS   6   2.034   4.441   6.200
   53   2HB   CYS   6          2HB       CYS   6   2.735   5.548   5.028
   54    H    LEU   7           H        LEU   7   1.344   5.451   3.859
   55    HA   LEU   7           HA       LEU   7  -0.088   4.398   2.400
   56   1HB   LEU   7          1HB       LEU   7  -2.359   5.499   4.041
   57   2HB   LEU   7          2HB       LEU   7  -2.499   4.387   2.712
   58    HG   LEU   7           HG       LEU   7  -2.446   2.706   4.169
   59   1HD1  LEU   7          1HD1      LEU   7  -0.452   1.889   4.965
   60   2HD1  LEU   7          2HD1      LEU   7   0.154   3.486   5.402
   61   3HD1  LEU   7          3HD1      LEU   7   0.116   2.990   3.712
   62   1HD2  LEU   7          1HD2      LEU   7  -3.030   3.189   6.250
   63   2HD2  LEU   7          2HD2      LEU   7  -2.797   4.882   5.816
   64   3HD2  LEU   7          3HD2      LEU   7  -1.490   3.981   6.584
   65    H    SER   8           H        SER   8   0.969   7.185   2.623
   66    HA   SER   8           HA       SER   8   0.045   8.161   0.158
   67   1HB   SER   8          1HB       SER   8  -1.179  10.116   0.844
   68   2HB   SER   8          2HB       SER   8  -1.916   8.719   1.625
   69    HG   SER   8           HG       SER   8  -1.052  10.883   2.789
   70    H    CYS   9           H        CYS   9   0.929   9.829   3.161
   71    HA   CYS   9           HA       CYS   9   2.642  11.226   3.683
   72   1HB   CYS   9          1HB       CYS   9   3.997   8.973   2.225
   73   2HB   CYS   9          2HB       CYS   9   4.927  10.312   2.886
   74    H    GLY  10           H        GLY  10   1.205  11.749   1.119
   75   1HA   GLY  10          1HA       GLY  10   1.684  13.925   0.066
   76   2HA   GLY  10          2HA       GLY  10   3.335  13.367  -0.139
   77    H    LYS  11           H        LYS  11   1.697  10.672  -0.801
   78    HA   LYS  11           HA       LYS  11   1.126  11.424  -3.581
   79   1HB   LYS  11          1HB       LYS  11   3.273   9.754  -2.639
   80   2HB   LYS  11          2HB       LYS  11   2.182   8.817  -3.654
   81   1HG   LYS  11          1HG       LYS  11   4.034   9.847  -4.910
   82   2HG   LYS  11          2HG       LYS  11   2.445  10.383  -5.463
   83   1HD   LYS  11          1HD       LYS  11   2.686  12.490  -4.534
   84   2HD   LYS  11          2HD       LYS  11   3.929  11.957  -3.404
   85   1HE   LYS  11          1HE       LYS  11   5.520  11.723  -5.218
   86   2HE   LYS  11          2HE       LYS  11   4.277  12.154  -6.393
   87   1HZ   LYS  11          1HZ       LYS  11   4.248  14.347  -5.669
   88   2HZ   LYS  11          2HZ       LYS  11   5.894  13.958  -5.641
   89   3HZ   LYS  11          3HZ       LYS  11   5.009  13.993  -4.200
   90    HA   PRO  12           HA       PRO  12  -2.347   8.746  -3.105
   91   1HB   PRO  12          1HB       PRO  12  -2.985   8.330  -5.688
   92   2HB   PRO  12          2HB       PRO  12  -3.136   9.911  -4.922
   93   1HG   PRO  12          1HG       PRO  12  -1.165   8.957  -6.894
   94   2HG   PRO  12          2HG       PRO  12  -1.691  10.609  -6.537
   95   1HD   PRO  12          1HD       PRO  12   0.681   9.285  -5.643
   96   2HD   PRO  12          2HD       PRO  12   0.141  10.928  -5.254
   97    H    VAL  13           H        VAL  13  -2.459   6.689  -2.498
   98    HA   VAL  13           HA       VAL  13  -1.029   4.665  -4.094
   99    HB   VAL  13           HB       VAL  13  -0.665   3.372  -2.103
  100   1HG1  VAL  13          1HG1      VAL  13   1.162   4.597  -1.810
  101   2HG1  VAL  13          2HG1      VAL  13   0.252   5.677  -0.755
  102   3HG1  VAL  13          3HG1      VAL  13   0.354   6.011  -2.484
  103   1HG2  VAL  13          1HG2      VAL  13  -2.719   3.809  -0.908
  104   2HG2  VAL  13          2HG2      VAL  13  -2.262   5.495  -0.671
  105   3HG2  VAL  13          3HG2      VAL  13  -1.347   4.214   0.124
  106    H    SER  14           H        SER  14  -4.077   5.662  -2.892
  107    HA   SER  14           HA       SER  14  -5.425   3.238  -2.620
  108   1HB   SER  14          1HB       SER  14  -6.753   5.682  -3.768
  109   2HB   SER  14          2HB       SER  14  -7.414   4.485  -2.649
  110    HG   SER  14           HG       SER  14  -6.248   5.364  -1.011
  111    H    ALA  15           H        ALA  15  -5.231   5.353  -5.488
  112    HA   ALA  15           HA       ALA  15  -6.693   3.710  -7.212
  113   1HB   ALA  15          1HB       ALA  15  -5.460   4.932  -9.036
  114   2HB   ALA  15          2HB       ALA  15  -4.545   5.741  -7.763
  115   3HB   ALA  15          3HB       ALA  15  -6.293   5.952  -7.862
  116    H    TYR  16           H        TYR  16  -3.387   3.530  -6.143
  117    HA   TYR  16           HA       TYR  16  -2.637   1.615  -8.180
  118   1HB   TYR  16          1HB       TYR  16  -1.255   3.061  -5.968
  119   2HB   TYR  16          2HB       TYR  16  -0.538   1.569  -6.560
  120    HD1  TYR  16           HD1      TYR  16   0.083   1.391  -8.991
  121    HD2  TYR  16           HD2      TYR  16  -1.058   5.074  -7.190
  122    HE1  TYR  16           HE1      TYR  16   1.108   2.618 -10.860
  123    HE2  TYR  16           HE2      TYR  16  -0.036   6.310  -9.055
  124    HH   TYR  16           HH       TYR  16   0.611   5.967 -11.356
  125    H    PHE  17           H        PHE  17  -3.806   1.605  -4.913
  126    HA   PHE  17           HA       PHE  17  -2.881  -0.753  -3.869
  127   1HB   PHE  17          1HB       PHE  17  -5.451   0.728  -3.601
  128   2HB   PHE  17          2HB       PHE  17  -5.391  -0.911  -2.969
  129    HD1  PHE  17           HD1      PHE  17  -5.881   0.112  -0.760
  130    HD2  PHE  17           HD2      PHE  17  -2.285   0.937  -2.887
  131    HE1  PHE  17           HE1      PHE  17  -4.850   0.947   1.312
  132    HE2  PHE  17           HE2      PHE  17  -1.250   1.773  -0.817
  133    HZ   PHE  17           HZ       PHE  17  -2.532   1.778   1.286
  134    H    ASN  18           H        ASN  18  -5.091  -0.314  -6.507
  135    HA   ASN  18           HA       ASN  18  -6.192  -2.917  -6.583
  136   1HB   ASN  18          1HB       ASN  18  -5.829  -0.751  -8.644
  137   2HB   ASN  18          2HB       ASN  18  -6.485  -2.324  -9.086
  138   1HD2  ASN  18          1HD2      ASN  18  -8.274  -3.071  -7.533
  139   2HD2  ASN  18          2HD2      ASN  18  -9.479  -1.880  -7.163
  140    H    GLU  19           H        GLU  19  -3.292  -1.461  -7.972
  141    HA   GLU  19           HA       GLU  19  -2.432  -3.550  -9.595
  142   1HB   GLU  19          1HB       GLU  19  -1.430  -1.145  -9.088
  143   2HB   GLU  19          2HB       GLU  19  -0.429  -2.047  -7.962
  144   1HG   GLU  19          1HG       GLU  19  -0.227  -3.542 -10.241
  145   2HG   GLU  19          2HG       GLU  19  -0.315  -1.897 -10.869
  146    H    TYR  20           H        TYR  20  -1.664  -2.909  -6.187
  147    HA   TYR  20           HA       TYR  20  -0.116  -5.147  -5.645
  148   1HB   TYR  20          1HB       TYR  20  -0.296  -3.447  -3.989
  149   2HB   TYR  20          2HB       TYR  20  -2.045  -3.593  -3.921
  150    HD1  TYR  20           HD1      TYR  20  -3.068  -5.598  -2.845
  151    HD2  TYR  20           HD2      TYR  20   1.108  -4.821  -2.655
  152    HE1  TYR  20           HE1      TYR  20  -2.872  -7.162  -0.958
  153    HE2  TYR  20           HE2      TYR  20   1.320  -6.383  -0.766
  154    HH   TYR  20           HH       TYR  20  -0.635  -7.248   1.133
  155    H    GLN  21           H        GLN  21  -3.631  -4.771  -5.394
  156    HA   GLN  21           HA       GLN  21  -4.250  -7.346  -4.523
  157   1HB   GLN  21          1HB       GLN  21  -5.880  -5.523  -4.530
  158   2HB   GLN  21          2HB       GLN  21  -5.873  -5.503  -6.288
  159   1HG   GLN  21          1HG       GLN  21  -7.170  -7.352  -6.458
  160   2HG   GLN  21          2HG       GLN  21  -6.540  -8.066  -4.972
  161   1HE2  GLN  21          1HE2      GLN  21  -7.184  -6.912  -2.947
  162   2HE2  GLN  21          2HE2      GLN  21  -8.810  -6.335  -2.849
  163    H    ARG  22           H        ARG  22  -4.453  -6.106  -7.866
  164    HA   ARG  22           HA       ARG  22  -4.997  -8.492  -9.143
  165   1HB   ARG  22          1HB       ARG  22  -3.341  -6.158 -10.119
  166   2HB   ARG  22          2HB       ARG  22  -3.924  -7.457 -11.151
  167   1HG   ARG  22          1HG       ARG  22  -6.242  -6.849 -10.534
  168   2HG   ARG  22          2HG       ARG  22  -5.602  -5.482  -9.622
  169   1HD   ARG  22          1HD       ARG  22  -4.909  -4.365 -11.527
  170   2HD   ARG  22          2HD       ARG  22  -4.858  -5.839 -12.493
  171    HE   ARG  22           HE       ARG  22  -7.491  -5.548 -11.872
  172   1HH1  ARG  22          1HH1      ARG  22  -5.093  -3.504 -13.353
  173   2HH1  ARG  22          2HH1      ARG  22  -6.236  -2.659 -14.343
  174   1HH2  ARG  22          1HH2      ARG  22  -9.007  -4.440 -13.171
  175   2HH2  ARG  22          2HH2      ARG  22  -8.461  -3.190 -14.239
  176    H    ARG  23           H        ARG  23  -1.816  -7.059  -8.469
  177    HA   ARG  23           HA       ARG  23  -0.280  -9.104  -9.604
  178   1HB   ARG  23          1HB       ARG  23   0.197  -6.782  -7.951
  179   2HB   ARG  23          2HB       ARG  23   1.288  -8.117  -7.577
  180   1HG   ARG  23          1HG       ARG  23   2.451  -7.166  -9.265
  181   2HG   ARG  23          2HG       ARG  23   1.437  -8.235 -10.216
  182   1HD   ARG  23          1HD       ARG  23  -0.159  -6.396 -10.541
  183   2HD   ARG  23          2HD       ARG  23   0.928  -5.317  -9.666
  184    HE   ARG  23           HE       ARG  23   2.279  -5.207 -11.524
  185   1HH1  ARG  23          1HH1      ARG  23  -0.061  -7.757 -11.927
  186   2HH1  ARG  23          2HH1      ARG  23   0.310  -8.008 -13.600
  187   1HH2  ARG  23          1HH2      ARG  23   2.774  -5.532 -13.727
  188   2HH2  ARG  23          2HH2      ARG  23   1.920  -6.744 -14.622
  189    H    VAL  24           H        VAL  24  -0.764  -8.499  -6.119
  190    HA   VAL  24           HA       VAL  24   0.335 -10.799  -5.116
  191    HB   VAL  24           HB       VAL  24  -2.137  -9.418  -4.056
  192   1HG1  VAL  24          1HG1      VAL  24  -0.332 -11.515  -2.941
  193   2HG1  VAL  24          2HG1      VAL  24  -2.087 -11.372  -2.843
  194   3HG1  VAL  24          3HG1      VAL  24  -1.061 -10.333  -1.854
  195   1HG2  VAL  24          1HG2      VAL  24   0.539  -8.507  -4.295
  196   2HG2  VAL  24          2HG2      VAL  24   0.216  -8.804  -2.586
  197   3HG2  VAL  24          3HG2      VAL  24  -0.824  -7.716  -3.504
  198    H    ALA  25           H        ALA  25  -2.807 -10.391  -6.610
  199    HA   ALA  25           HA       ALA  25  -4.009 -12.794  -5.818
  200   1HB   ALA  25          1HB       ALA  25  -5.447 -12.504  -7.805
  201   2HB   ALA  25          2HB       ALA  25  -4.388 -11.203  -8.351
  202   3HB   ALA  25          3HB       ALA  25  -5.295 -11.030  -6.848
  203    H    ASP  26           H        ASP  26  -2.245 -12.047  -8.828
  204    HA   ASP  26           HA       ASP  26  -2.298 -14.670  -9.846
  205   1HB   ASP  26          1HB       ASP  26  -0.559 -12.275 -10.389
  206   2HB   ASP  26          2HB       ASP  26  -0.260 -13.815 -11.190
  207    H    GLY  27           H        GLY  27   0.051 -12.966  -7.823
  208   1HA   GLY  27          1HA       GLY  27   1.076 -14.489  -6.115
  209   2HA   GLY  27          2HA       GLY  27   1.465 -15.536  -7.470
  210    H    GLU  28           H        GLU  28   1.734 -12.035  -7.605
  211    HA   GLU  28           HA       GLU  28   4.590 -12.341  -8.079
  212   1HB   GLU  28          1HB       GLU  28   2.743  -9.984  -8.499
  213   2HB   GLU  28          2HB       GLU  28   4.457  -9.995  -8.878
  214   1HG   GLU  28          1HG       GLU  28   4.150 -11.044 -10.800
  215   2HG   GLU  28          2HG       GLU  28   3.058 -12.218 -10.076
  216    H    ASP  29           H        ASP  29   6.138 -10.979  -7.054
  217    HA   ASP  29           HA       ASP  29   5.788 -10.739  -4.270
  218   1HB   ASP  29          1HB       ASP  29   7.943  -9.286  -4.489
  219   2HB   ASP  29          2HB       ASP  29   8.018 -11.008  -4.859
  220    HA   PRO  30           HA       PRO  30   3.315  -6.955  -4.445
  221   1HB   PRO  30          1HB       PRO  30   3.955  -7.047  -1.541
  222   2HB   PRO  30          2HB       PRO  30   2.402  -6.825  -2.349
  223   1HG   PRO  30          1HG       PRO  30   3.019  -9.155  -1.209
  224   2HG   PRO  30          2HG       PRO  30   2.124  -9.092  -2.740
  225   1HD   PRO  30          1HD       PRO  30   4.993  -9.754  -2.248
  226   2HD   PRO  30          2HD       PRO  30   3.864 -10.431  -3.439
  227    H    LYS  31           H        LYS  31   6.345  -7.364  -2.643
  228    HA   LYS  31           HA       LYS  31   7.031  -4.733  -2.181
  229   1HB   LYS  31          1HB       LYS  31   8.382  -7.259  -2.251
  230   2HB   LYS  31          2HB       LYS  31   9.388  -6.046  -3.028
  231   1HG   LYS  31          1HG       LYS  31   9.793  -4.949  -1.103
  232   2HG   LYS  31          2HG       LYS  31   8.167  -5.236  -0.474
  233   1HD   LYS  31          1HD       LYS  31   8.750  -7.193   0.517
  234   2HD   LYS  31          2HD       LYS  31   9.929  -7.600  -0.731
  235   1HE   LYS  31          1HE       LYS  31  11.299  -7.170   1.067
  236   2HE   LYS  31          2HE       LYS  31  11.263  -5.599   0.268
  237   1HZ   LYS  31          1HZ       LYS  31   9.977  -4.692   1.900
  238   2HZ   LYS  31          2HZ       LYS  31  10.850  -5.810   2.823
  239   3HZ   LYS  31          3HZ       LYS  31   9.267  -6.163   2.340
  240    H    ASP  32           H        ASP  32   7.442  -6.656  -5.119
  241    HA   ASP  32           HA       ASP  32   8.721  -4.680  -6.680
  242   1HB   ASP  32          1HB       ASP  32   7.655  -7.292  -7.079
  243   2HB   ASP  32          2HB       ASP  32   6.985  -6.241  -8.323
  244    H    VAL  33           H        VAL  33   5.337  -5.527  -6.144
  245    HA   VAL  33           HA       VAL  33   4.147  -3.732  -7.912
  246    HB   VAL  33           HB       VAL  33   3.077  -4.620  -5.226
  247   1HG1  VAL  33          1HG1      VAL  33   1.119  -3.643  -5.714
  248   2HG1  VAL  33          2HG1      VAL  33   1.207  -4.089  -7.418
  249   3HG1  VAL  33          3HG1      VAL  33   2.067  -2.664  -6.833
  250   1HG2  VAL  33          1HG2      VAL  33   1.799  -6.254  -6.749
  251   2HG2  VAL  33          2HG2      VAL  33   3.485  -6.607  -6.370
  252   3HG2  VAL  33          3HG2      VAL  33   3.060  -5.906  -7.930
  253    H    LEU  34           H        LEU  34   5.073  -3.318  -4.500
  254    HA   LEU  34           HA       LEU  34   4.087  -0.794  -4.024
  255   1HB   LEU  34          1HB       LEU  34   6.524  -2.225  -3.048
  256   2HB   LEU  34          2HB       LEU  34   6.270  -0.553  -2.603
  257    HG   LEU  34           HG       LEU  34   5.479  -2.261  -0.920
  258   1HD1  LEU  34          1HD1      LEU  34   3.084  -0.717  -1.693
  259   2HD1  LEU  34          2HD1      LEU  34   4.571   0.203  -1.458
  260   3HD1  LEU  34          3HD1      LEU  34   3.937  -0.799  -0.153
  261   1HD2  LEU  34          1HD2      LEU  34   3.144  -3.130  -1.453
  262   2HD2  LEU  34          2HD2      LEU  34   4.507  -3.948  -2.216
  263   3HD2  LEU  34          3HD2      LEU  34   3.536  -2.800  -3.139
  264    H    ASP  35           H        ASP  35   7.007  -1.726  -5.746
  265    HA   ASP  35           HA       ASP  35   8.071   0.862  -6.069
  266   1HB   ASP  35          1HB       ASP  35   9.102  -1.511  -6.571
  267   2HB   ASP  35          2HB       ASP  35   8.427  -1.240  -8.174
  268    H    ASP  36           H        ASP  36   5.655  -0.992  -7.771
  269    HA   ASP  36           HA       ASP  36   5.378   0.906  -9.933
  270   1HB   ASP  36          1HB       ASP  36   3.887  -1.587  -9.116
  271   2HB   ASP  36          2HB       ASP  36   3.305  -0.549 -10.413
  272    H    LEU  37           H        LEU  37   3.622  -0.021  -7.016
  273    HA   LEU  37           HA       LEU  37   1.327   1.472  -7.195
  274   1HB   LEU  37          1HB       LEU  37   3.086   0.658  -4.929
  275   2HB   LEU  37          2HB       LEU  37   1.781   1.780  -4.608
  276    HG   LEU  37           HG       LEU  37   0.906  -0.561  -6.119
  277   1HD1  LEU  37          1HD1      LEU  37   2.239  -0.893  -3.454
  278   2HD1  LEU  37          2HD1      LEU  37   2.439  -1.853  -4.920
  279   3HD1  LEU  37          3HD1      LEU  37   0.949  -1.970  -3.986
  280   1HD2  LEU  37          1HD2      LEU  37  -0.153   0.082  -3.446
  281   2HD2  LEU  37          2HD2      LEU  37  -0.998  -0.229  -4.962
  282   3HD2  LEU  37          3HD2      LEU  37  -0.283   1.355  -4.660
  283    H    GLY  38           H        GLY  38   4.452   2.535  -5.875
  284   1HA   GLY  38          1HA       GLY  38   5.416   4.645  -6.250
  285   2HA   GLY  38          2HA       GLY  38   3.841   5.267  -6.718
  286    H    LEU  39           H        LEU  39   5.232   3.706  -3.829
  287    HA   LEU  39           HA       LEU  39   4.041   5.871  -2.226
  288   1HB   LEU  39          1HB       LEU  39   4.680   3.268  -0.954
  289   2HB   LEU  39          2HB       LEU  39   3.373   4.386  -0.622
  290    HG   LEU  39           HG       LEU  39   2.421   3.603  -2.897
  291   1HD1  LEU  39          1HD1      LEU  39   4.712   1.825  -2.542
  292   2HD1  LEU  39          2HD1      LEU  39   3.791   2.221  -3.994
  293   3HD1  LEU  39          3HD1      LEU  39   3.194   0.993  -2.879
  294   1HD2  LEU  39          1HD2      LEU  39   1.658   3.081  -0.495
  295   2HD2  LEU  39          2HD2      LEU  39   2.396   1.503  -0.771
  296   3HD2  LEU  39          3HD2      LEU  39   1.082   2.057  -1.809
  297    H    LYS  40           H        LYS  40   5.787   7.218  -2.057
  298    HA   LYS  40           HA       LYS  40   8.450   6.507  -1.730
  299   1HB   LYS  40          1HB       LYS  40   6.832   8.931  -1.301
  300   2HB   LYS  40          2HB       LYS  40   8.308   8.856  -0.346
  301   1HG   LYS  40          1HG       LYS  40   8.531   8.209  -3.225
  302   2HG   LYS  40          2HG       LYS  40   8.228   9.893  -2.790
  303   1HD   LYS  40          1HD       LYS  40  10.189   9.253  -1.031
  304   2HD   LYS  40          2HD       LYS  40  10.630   8.240  -2.407
  305   1HE   LYS  40          1HE       LYS  40  11.748  10.171  -2.931
  306   2HE   LYS  40          2HE       LYS  40  10.218  10.444  -3.765
  307   1HZ   LYS  40          1HZ       LYS  40  10.985  11.522  -1.107
  308   2HZ   LYS  40          2HZ       LYS  40   9.473  11.733  -1.835
  309   3HZ   LYS  40          3HZ       LYS  40  10.856  12.401  -2.546
  310    H    ARG  41           H        ARG  41   9.830   6.508   0.113
  311    HA   ARG  41           HA       ARG  41  10.458   5.874   2.205
  312   1HB   ARG  41          1HB       ARG  41   7.773   7.019   3.000
  313   2HB   ARG  41          2HB       ARG  41   9.088   6.635   4.103
  314   1HG   ARG  41          1HG       ARG  41   9.813   8.440   1.907
  315   2HG   ARG  41          2HG       ARG  41   8.623   9.082   3.042
  316   1HD   ARG  41          1HD       ARG  41  10.486   9.701   4.169
  317   2HD   ARG  41          2HD       ARG  41  10.366   8.054   4.789
  318    HE   ARG  41           HE       ARG  41  11.896   8.074   2.422
  319   1HH1  ARG  41          1HH1      ARG  41  12.057   9.031   5.767
  320   2HH1  ARG  41          2HH1      ARG  41  13.779   8.874   5.864
  321   1HH2  ARG  41          1HH2      ARG  41  14.164   7.862   2.539
  322   2HH2  ARG  41          2HH2      ARG  41  14.977   8.208   4.028
  323    H    TYR  42           H        TYR  42  10.439   4.009   3.360
  324    HA   TYR  42           HA       TYR  42   8.555   1.989   2.572
  325   1HB   TYR  42          1HB       TYR  42   9.940   0.451   3.745
  326   2HB   TYR  42          2HB       TYR  42  11.027   1.610   2.987
  327    HD1  TYR  42           HD1      TYR  42  12.613   2.749   4.271
  328    HD2  TYR  42           HD2      TYR  42   9.353   0.827   6.216
  329    HE1  TYR  42           HE1      TYR  42  13.655   3.201   6.453
  330    HE2  TYR  42           HE2      TYR  42  10.386   1.274   8.402
  331    HH   TYR  42           HH       TYR  42  12.574   1.742   9.342
  332    H    CYS  43           H        CYS  43   8.758   4.261   5.125
  333    HA   CYS  43           HA       CYS  43   7.602   3.042   7.289
  334   1HB   CYS  43          1HB       CYS  43   6.604   5.271   7.816
  335   2HB   CYS  43          2HB       CYS  43   8.311   5.347   7.393
  336    H    CYS  44           H        CYS  44   6.159   3.830   4.244
  337    HA   CYS  44           HA       CYS  44   3.441   3.362   5.169
  338   1HB   CYS  44          1HB       CYS  44   4.141   3.540   2.268
  339   2HB   CYS  44          2HB       CYS  44   2.735   4.169   3.121
  340    H    ARG  45           H        ARG  45   5.622   1.908   2.748
  341    HA   ARG  45           HA       ARG  45   4.143  -0.258   2.000
  342   1HB   ARG  45          1HB       ARG  45   7.115  -0.340   2.531
  343   2HB   ARG  45          2HB       ARG  45   6.218  -1.404   1.461
  344   1HG   ARG  45          1HG       ARG  45   6.089   0.131  -0.197
  345   2HG   ARG  45          2HG       ARG  45   6.049   1.500   0.915
  346   1HD   ARG  45          1HD       ARG  45   8.202   1.840   0.487
  347   2HD   ARG  45          2HD       ARG  45   8.553   0.298   1.269
  348    HE   ARG  45           HE       ARG  45   7.774   0.095  -1.502
  349   1HH1  ARG  45          1HH1      ARG  45  10.416   0.446   0.745
  350   2HH1  ARG  45          2HH1      ARG  45  11.601  -0.173  -0.356
  351   1HH2  ARG  45          1HH2      ARG  45   9.329  -0.718  -2.955
  352   2HH2  ARG  45          2HH2      ARG  45  10.983  -0.834  -2.458
  353    H    ARG  46           H        ARG  46   6.479  -0.244   4.702
  354    HA   ARG  46           HA       ARG  46   6.328  -2.743   5.670
  355   1HB   ARG  46          1HB       ARG  46   6.749  -1.887   7.889
  356   2HB   ARG  46          2HB       ARG  46   7.601  -0.887   6.718
  357   1HG   ARG  46          1HG       ARG  46   5.661   0.714   6.850
  358   2HG   ARG  46          2HG       ARG  46   5.080  -0.236   8.219
  359   1HD   ARG  46          1HD       ARG  46   7.234   0.160   9.362
  360   2HD   ARG  46          2HD       ARG  46   7.731   1.187   8.018
  361    HE   ARG  46           HE       ARG  46   5.424   2.327   8.774
  362   1HH1  ARG  46          1HH1      ARG  46   8.220   1.307  10.588
  363   2HH1  ARG  46          2HH1      ARG  46   8.030   2.520  11.810
  364   1HH2  ARG  46          1HH2      ARG  46   5.166   3.927  10.380
  365   2HH2  ARG  46          2HH2      ARG  46   6.294   4.008  11.691
  366    H    MET  47           H        MET  47   3.898  -0.244   6.309
  367    HA   MET  47           HA       MET  47   2.224  -2.054   7.795
  368   1HB   MET  47          1HB       MET  47   1.657   0.716   6.725
  369   2HB   MET  47          2HB       MET  47   0.636  -0.170   7.847
  370   1HG   MET  47          1HG       MET  47   2.560  -0.199   9.442
  371   2HG   MET  47          2HG       MET  47   3.409   0.880   8.336
  372   1HE   MET  47          1HE       MET  47   0.044   2.177   7.674
  373   2HE   MET  47          2HE       MET  47   1.619   2.835   7.221
  374   3HE   MET  47          3HE       MET  47   0.544   3.758   8.274
  375    H    LEU  48           H        LEU  48   2.462  -0.845   4.539
  376    HA   LEU  48           HA       LEU  48  -0.110  -1.793   3.721
  377   1HB   LEU  48          1HB       LEU  48   2.222  -0.966   1.997
  378   2HB   LEU  48          2HB       LEU  48   0.547  -1.106   1.493
  379    HG   LEU  48           HG       LEU  48   1.212   0.751   3.718
  380   1HD1  LEU  48          1HD1      LEU  48   2.235   2.320   2.483
  381   2HD1  LEU  48          2HD1      LEU  48   1.287   1.949   1.045
  382   3HD1  LEU  48          3HD1      LEU  48   2.687   0.959   1.457
  383   1HD2  LEU  48          1HD2      LEU  48  -0.932   0.350   1.731
  384   2HD2  LEU  48          2HD2      LEU  48  -0.563   2.016   2.181
  385   3HD2  LEU  48          3HD2      LEU  48  -1.022   0.848   3.421
  386    H    ILE  49           H        ILE  49   3.096  -2.660   2.396
  387    HA   ILE  49           HA       ILE  49   2.410  -4.880   1.002
  388    HB   ILE  49           HB       ILE  49   4.701  -5.867   1.717
  389   1HG1  ILE  49          1HG1      ILE  49   5.445  -3.104   2.458
  390   2HG1  ILE  49          2HG1      ILE  49   4.583  -4.028   3.687
  391   1HG2  ILE  49          1HG2      ILE  49   5.844  -4.123   0.277
  392   2HG2  ILE  49          2HG2      ILE  49   4.285  -3.300   0.221
  393   3HG2  ILE  49          3HG2      ILE  49   4.442  -4.934  -0.424
  394   1HD1  ILE  49          1HD1      ILE  49   6.970  -5.171   2.301
  395   2HD1  ILE  49          2HD1      ILE  49   6.274  -5.603   3.862
  396   3HD1  ILE  49          3HD1      ILE  49   7.143  -4.081   3.677
  397    H    SER  50           H        SER  50   2.660  -4.668   4.469
  398    HA   SER  50           HA       SER  50   2.489  -7.509   4.887
  399   1HB   SER  50          1HB       SER  50   3.319  -5.397   6.440
  400   2HB   SER  50          2HB       SER  50   1.748  -5.781   7.144
  401    HG   SER  50           HG       SER  50   3.813  -7.670   6.671
  402    H    HIS  51           H        HIS  51   0.323  -4.919   6.028
  403    HA   HIS  51           HA       HIS  51  -1.898  -6.780   6.009
  404   1HB   HIS  51          1HB       HIS  51  -1.677  -5.330   7.930
  405   2HB   HIS  51          2HB       HIS  51  -1.673  -3.900   6.903
  406    HD2  HIS  51           HD2      HIS  51  -4.049  -2.705   6.797
  407    HE1  HIS  51           HE1      HIS  51  -6.422  -6.093   7.696
  408    HE2  HIS  51           HE2      HIS  51  -6.448  -3.603   7.216
  409    H    VAL  52           H        VAL  52  -1.891  -3.374   5.038
  410    HA   VAL  52           HA       VAL  52  -3.247  -2.313   3.519
  411    HB   VAL  52           HB       VAL  52  -1.068  -2.749   2.395
  412   1HG1  VAL  52          1HG1      VAL  52  -1.570  -5.255   2.190
  413   2HG1  VAL  52          2HG1      VAL  52  -0.737  -4.450   0.860
  414   3HG1  VAL  52          3HG1      VAL  52  -2.459  -4.805   0.733
  415   1HG2  VAL  52          1HG2      VAL  52  -2.720  -1.242   1.453
  416   2HG2  VAL  52          2HG2      VAL  52  -3.486  -2.591   0.612
  417   3HG2  VAL  52          3HG2      VAL  52  -1.850  -2.098   0.179
  418    H    GLU  53           H        GLU  53  -5.364  -2.764   3.801
  419    HA   GLU  53           HA       GLU  53  -6.607  -5.214   3.188
  420   1HB   GLU  53          1HB       GLU  53  -7.356  -2.790   4.368
  421   2HB   GLU  53          2HB       GLU  53  -8.419  -2.964   2.978
  422   1HG   GLU  53          1HG       GLU  53  -8.785  -5.364   3.880
  423   2HG   GLU  53          2HG       GLU  53  -8.149  -4.703   5.385
  424    H    THR  54           H        THR  54  -5.687  -2.552   1.203
  425    HA   THR  54           HA       THR  54  -6.018  -2.048  -1.001
  426    HB   THR  54           HB       THR  54  -6.360  -4.264  -2.426
  427    HG1  THR  54           HG1      THR  54  -6.365  -5.991  -1.214
  428   1HG2  THR  54          1HG2      THR  54  -4.185  -3.999  -2.885
  429   2HG2  THR  54          2HG2      THR  54  -3.707  -4.345  -1.222
  430   3HG2  THR  54          3HG2      THR  54  -4.209  -2.716  -1.674
  431    H    TRP  55           H        TRP  55  -8.088  -1.039  -0.424
  432    HA   TRP  55           HA       TRP  55 -10.250  -0.564  -0.959
  433   1HB   TRP  55          1HB       TRP  55  -9.448  -2.502  -2.980
  434   2HB   TRP  55          2HB       TRP  55 -11.169  -2.601  -2.616
  435    HD1  TRP  55           HD1      TRP  55  -9.463  -1.274  -5.254
  436    HE1  TRP  55           HE1      TRP  55 -10.326   1.009  -6.077
  437    HE3  TRP  55           HE3      TRP  55 -12.098   0.144  -1.107
  438    HZ2  TRP  55           HZ2      TRP  55 -11.913   3.126  -5.098
  439    HZ3  TRP  55           HZ3      TRP  55 -13.259   2.312  -1.132
  440    HH2  TRP  55           HH2      TRP  55 -13.168   3.772  -3.087
  Start of MODEL    8
    1    H    MET   1           H        MET   1  -4.557  11.260   2.492
    2    HA   MET   1           HA       MET   1  -5.734   8.626   2.903
    3   1HB   MET   1          1HB       MET   1  -3.226   9.166   1.454
    4   2HB   MET   1          2HB       MET   1  -3.145   7.871   2.620
    5   1HG   MET   1          1HG       MET   1  -5.454   7.851   0.787
    6   2HG   MET   1          2HG       MET   1  -3.873   7.527   0.077
    7   1HE   MET   1          1HE       MET   1  -5.236   6.922   3.553
    8   2HE   MET   1          2HE       MET   1  -5.368   5.174   3.718
    9   3HE   MET   1          3HE       MET   1  -6.569   6.068   2.787
   10    H    ILE   2           H        ILE   2  -3.614   7.470   4.354
   11    HA   ILE   2           HA       ILE   2  -2.797   7.377   6.452
   12    HB   ILE   2           HB       ILE   2  -2.606  10.384   6.317
   13   1HG1  ILE   2          1HG1      ILE   2  -0.203   9.944   5.830
   14   2HG1  ILE   2          2HG1      ILE   2  -0.567   8.227   5.727
   15   1HG2  ILE   2          1HG2      ILE   2  -2.509   9.689   8.593
   16   2HG2  ILE   2          2HG2      ILE   2  -0.849   9.989   8.081
   17   3HG2  ILE   2          3HG2      ILE   2  -1.449   8.334   8.199
   18   1HD1  ILE   2          1HD1      ILE   2  -1.643   8.438   3.714
   19   2HD1  ILE   2          2HD1      ILE   2  -0.375   9.654   3.574
   20   3HD1  ILE   2          3HD1      ILE   2  -2.022  10.142   3.973
   21    HA   PRO   3           HA       PRO   3  -6.907   8.573   8.180
   22   1HB   PRO   3          1HB       PRO   3  -8.216   6.306   7.983
   23   2HB   PRO   3          2HB       PRO   3  -7.903   7.229   6.503
   24   1HG   PRO   3          1HG       PRO   3  -6.393   4.877   7.624
   25   2HG   PRO   3          2HG       PRO   3  -6.980   5.126   5.964
   26   1HD   PRO   3          1HD       PRO   3  -4.408   5.693   6.816
   27   2HD   PRO   3          2HD       PRO   3  -5.192   6.457   5.421
   28    H    VAL   4           H        VAL   4  -4.263   7.117   9.117
   29    HA   VAL   4           HA       VAL   4  -4.317   6.941  11.741
   30    HB   VAL   4           HB       VAL   4  -6.075   4.785  10.693
   31   1HG1  VAL   4          1HG1      VAL   4  -4.202   3.413  11.478
   32   2HG1  VAL   4          2HG1      VAL   4  -5.577   3.260  12.574
   33   3HG1  VAL   4          3HG1      VAL   4  -4.203   4.270  13.023
   34   1HG2  VAL   4          1HG2      VAL   4  -7.435   5.475  12.346
   35   2HG2  VAL   4          2HG2      VAL   4  -6.365   6.876  12.416
   36   3HG2  VAL   4          3HG2      VAL   4  -6.132   5.532  13.535
   37    H    ARG   5           H        ARG   5  -3.589   5.325   8.763
   38    HA   ARG   5           HA       ARG   5  -0.964   4.546   9.835
   39   1HB   ARG   5          1HB       ARG   5  -3.017   2.847   8.882
   40   2HB   ARG   5          2HB       ARG   5  -1.751   2.845   7.657
   41   1HG   ARG   5          1HG       ARG   5  -0.807   1.254   8.906
   42   2HG   ARG   5          2HG       ARG   5  -0.324   2.571   9.976
   43   1HD   ARG   5          1HD       ARG   5  -1.464   0.617  11.086
   44   2HD   ARG   5          2HD       ARG   5  -2.156   2.204  11.419
   45    HE   ARG   5           HE       ARG   5  -3.392   0.804   9.223
   46   1HH1  ARG   5          1HH1      ARG   5  -3.390   1.351  12.663
   47   2HH1  ARG   5          2HH1      ARG   5  -5.045   0.883  12.870
   48   1HH2  ARG   5          1HH2      ARG   5  -5.571   0.186   9.484
   49   2HH2  ARG   5          2HH2      ARG   5  -6.285   0.220  11.061
   50    H    CYS   6           H        CYS   6   0.778   4.951   8.556
   51    HA   CYS   6           HA       CYS   6   0.636   6.906   6.561
   52   1HB   CYS   6          1HB       CYS   6   2.687   5.433   7.891
   53   2HB   CYS   6          2HB       CYS   6   3.002   5.382   6.159
   54    H    LEU   7           H        LEU   7  -0.596   6.551   4.837
   55    HA   LEU   7           HA       LEU   7   0.042   4.248   3.131
   56   1HB   LEU   7          1HB       LEU   7  -2.638   5.490   3.720
   57   2HB   LEU   7          2HB       LEU   7  -2.377   4.389   2.391
   58    HG   LEU   7           HG       LEU   7  -2.872   2.679   3.726
   59   1HD1  LEU   7          1HD1      LEU   7  -0.918   3.424   5.852
   60   2HD1  LEU   7          2HD1      LEU   7  -0.351   2.835   4.290
   61   3HD1  LEU   7          3HD1      LEU   7  -1.399   1.830   5.281
   62   1HD2  LEU   7          1HD2      LEU   7  -4.262   3.237   5.352
   63   2HD2  LEU   7          2HD2      LEU   7  -3.707   4.904   5.198
   64   3HD2  LEU   7          3HD2      LEU   7  -2.933   3.817   6.356
   65    H    SER   8           H        SER   8   1.240   6.810   3.027
   66    HA   SER   8           HA       SER   8   0.953   7.407   0.289
   67   1HB   SER   8          1HB       SER   8  -1.031   8.617   1.800
   68   2HB   SER   8          2HB       SER   8   0.178   9.888   1.620
   69    HG   SER   8           HG       SER   8  -1.221   9.954  -0.129
   70    H    CYS   9           H        CYS   9   1.500   9.640   3.009
   71    HA   CYS   9           HA       CYS   9   3.373  10.698   3.759
   72   1HB   CYS   9          1HB       CYS   9   4.340   8.199   2.774
   73   2HB   CYS   9          2HB       CYS   9   5.489   9.452   2.321
   74    H    GLY  10           H        GLY  10   2.061  11.141   0.980
   75   1HA   GLY  10          1HA       GLY  10   2.747  13.462   0.119
   76   2HA   GLY  10          2HA       GLY  10   4.267  12.658  -0.247
   77    H    LYS  11           H        LYS  11   2.912  10.156  -0.964
   78    HA   LYS  11           HA       LYS  11   1.739  10.987  -3.530
   79   1HB   LYS  11          1HB       LYS  11   3.973   9.206  -2.926
   80   2HB   LYS  11          2HB       LYS  11   2.778   8.477  -3.993
   81   1HG   LYS  11          1HG       LYS  11   4.478   9.530  -5.314
   82   2HG   LYS  11          2HG       LYS  11   2.981  10.453  -5.475
   83   1HD   LYS  11          1HD       LYS  11   4.171  11.638  -3.321
   84   2HD   LYS  11          2HD       LYS  11   5.557  11.234  -4.335
   85   1HE   LYS  11          1HE       LYS  11   5.122  13.020  -5.580
   86   2HE   LYS  11          2HE       LYS  11   3.595  12.277  -6.057
   87   1HZ   LYS  11          1HZ       LYS  11   2.476  13.357  -4.286
   88   2HZ   LYS  11          2HZ       LYS  11   3.401  14.538  -5.067
   89   3HZ   LYS  11          3HZ       LYS  11   3.923  13.894  -3.593
   90    HA   PRO  12           HA       PRO  12  -1.807   8.777  -1.908
   91   1HB   PRO  12          1HB       PRO  12  -2.577   8.749  -4.773
   92   2HB   PRO  12          2HB       PRO  12  -3.489   9.302  -3.365
   93   1HG   PRO  12          1HG       PRO  12  -2.406  11.051  -5.064
   94   2HG   PRO  12          2HG       PRO  12  -2.421  11.362  -3.317
   95   1HD   PRO  12          1HD       PRO  12  -0.174  10.451  -5.066
   96   2HD   PRO  12          2HD       PRO  12  -0.147  11.569  -3.686
   97    H    VAL  13           H        VAL  13  -2.005   6.677  -1.522
   98    HA   VAL  13           HA       VAL  13  -0.683   4.777  -3.307
   99    HB   VAL  13           HB       VAL  13  -0.739   3.200  -1.528
  100   1HG1  VAL  13          1HG1      VAL  13   0.311   4.551   0.345
  101   2HG1  VAL  13          2HG1      VAL  13  -0.065   5.987  -0.609
  102   3HG1  VAL  13          3HG1      VAL  13   1.022   4.760  -1.257
  103   1HG2  VAL  13          1HG2      VAL  13  -2.975   3.497  -0.689
  104   2HG2  VAL  13          2HG2      VAL  13  -2.590   5.119  -0.112
  105   3HG2  VAL  13          3HG2      VAL  13  -1.841   3.712   0.646
  106    H    SER  14           H        SER  14  -3.829   5.846  -2.390
  107    HA   SER  14           HA       SER  14  -5.414   3.623  -2.879
  108   1HB   SER  14          1HB       SER  14  -6.314   6.266  -3.937
  109   2HB   SER  14          2HB       SER  14  -7.201   5.082  -2.971
  110    HG   SER  14           HG       SER  14  -6.770   6.473  -1.437
  111    H    ALA  15           H        ALA  15  -6.789   3.241  -4.849
  112    HA   ALA  15           HA       ALA  15  -7.014   2.788  -7.080
  113   1HB   ALA  15          1HB       ALA  15  -6.339   4.326  -8.653
  114   2HB   ALA  15          2HB       ALA  15  -4.829   4.683  -7.815
  115   3HB   ALA  15          3HB       ALA  15  -6.354   5.319  -7.195
  116    H    TYR  16           H        TYR  16  -3.551   3.547  -6.597
  117    HA   TYR  16           HA       TYR  16  -2.482   1.546  -8.162
  118   1HB   TYR  16          1HB       TYR  16  -1.510   3.015  -5.729
  119   2HB   TYR  16          2HB       TYR  16  -0.548   1.719  -6.421
  120    HD1  TYR  16           HD1      TYR  16  -1.360   5.174  -6.601
  121    HD2  TYR  16           HD2      TYR  16   0.054   1.897  -8.914
  122    HE1  TYR  16           HE1      TYR  16  -0.423   6.747  -8.243
  123    HE2  TYR  16           HE2      TYR  16   0.995   3.459 -10.564
  124    HH   TYR  16           HH       TYR  16   1.792   5.862 -10.578
  125    H    PHE  17           H        PHE  17  -3.980   1.369  -5.037
  126    HA   PHE  17           HA       PHE  17  -2.955  -0.976  -3.992
  127   1HB   PHE  17          1HB       PHE  17  -5.590   0.400  -3.838
  128   2HB   PHE  17          2HB       PHE  17  -5.521  -1.269  -3.283
  129    HD1  PHE  17           HD1      PHE  17  -6.136  -0.496  -1.038
  130    HD2  PHE  17           HD2      PHE  17  -2.537   0.779  -2.923
  131    HE1  PHE  17           HE1      PHE  17  -5.267   0.256   1.136
  132    HE2  PHE  17           HE2      PHE  17  -1.664   1.532  -0.751
  133    HZ   PHE  17           HZ       PHE  17  -3.028   1.271   1.282
  134    H    ASN  18           H        ASN  18  -4.958  -0.484  -6.770
  135    HA   ASN  18           HA       ASN  18  -5.994  -3.080  -7.092
  136   1HB   ASN  18          1HB       ASN  18  -6.445  -0.814  -8.393
  137   2HB   ASN  18          2HB       ASN  18  -5.210  -1.451  -9.475
  138   1HD2  ASN  18          1HD2      ASN  18  -6.111  -2.329 -11.178
  139   2HD2  ASN  18          2HD2      ASN  18  -7.527  -3.329 -11.185
  140    H    GLU  19           H        GLU  19  -2.901  -1.613  -7.926
  141    HA   GLU  19           HA       GLU  19  -1.896  -3.684  -9.535
  142   1HB   GLU  19          1HB       GLU  19  -0.655  -1.501  -7.881
  143   2HB   GLU  19          2HB       GLU  19   0.345  -2.712  -8.629
  144   1HG   GLU  19          1HG       GLU  19   0.384  -0.997 -10.154
  145   2HG   GLU  19          2HG       GLU  19  -0.830  -2.095 -10.808
  146    H    TYR  20           H        TYR  20  -1.403  -2.935  -6.099
  147    HA   TYR  20           HA       TYR  20   0.070  -5.191  -5.401
  148   1HB   TYR  20          1HB       TYR  20  -0.165  -3.353  -3.857
  149   2HB   TYR  20          2HB       TYR  20  -1.908  -3.570  -3.786
  150    HD1  TYR  20           HD1      TYR  20   1.283  -4.595  -2.459
  151    HD2  TYR  20           HD2      TYR  20  -2.844  -5.603  -2.664
  152    HE1  TYR  20           HE1      TYR  20   1.559  -6.090  -0.524
  153    HE2  TYR  20           HE2      TYR  20  -2.584  -7.097  -0.729
  154    HH   TYR  20           HH       TYR  20   0.455  -8.035   0.474
  155    H    GLN  21           H        GLN  21  -3.435  -4.681  -5.379
  156    HA   GLN  21           HA       GLN  21  -4.142  -7.241  -4.438
  157   1HB   GLN  21          1HB       GLN  21  -5.740  -5.427  -4.381
  158   2HB   GLN  21          2HB       GLN  21  -5.680  -5.266  -6.130
  159   1HG   GLN  21          1HG       GLN  21  -6.912  -7.179  -6.487
  160   2HG   GLN  21          2HG       GLN  21  -6.539  -7.841  -4.896
  161   1HE2  GLN  21          1HE2      GLN  21  -7.537  -6.827  -3.045
  162   2HE2  GLN  21          2HE2      GLN  21  -9.085  -6.081  -3.214
  163    H    ARG  22           H        ARG  22  -4.047  -5.933  -7.746
  164    HA   ARG  22           HA       ARG  22  -4.807  -8.223  -9.114
  165   1HB   ARG  22          1HB       ARG  22  -4.617  -6.071 -10.222
  166   2HB   ARG  22          2HB       ARG  22  -2.881  -6.046  -9.945
  167   1HG   ARG  22          1HG       ARG  22  -3.158  -6.650 -12.195
  168   2HG   ARG  22          2HG       ARG  22  -2.764  -8.149 -11.347
  169   1HD   ARG  22          1HD       ARG  22  -4.965  -8.928 -11.457
  170   2HD   ARG  22          2HD       ARG  22  -5.608  -7.325 -11.812
  171    HE   ARG  22           HE       ARG  22  -3.837  -8.299 -13.844
  172   1HH1  ARG  22          1HH1      ARG  22  -7.108  -8.362 -12.654
  173   2HH1  ARG  22          2HH1      ARG  22  -7.800  -8.747 -14.194
  174   1HH2  ARG  22          1HH2      ARG  22  -4.735  -8.805 -15.879
  175   2HH2  ARG  22          2HH2      ARG  22  -6.450  -9.000 -16.029
  176    H    ARG  23           H        ARG  23  -1.525  -7.138  -8.276
  177    HA   ARG  23           HA       ARG  23  -0.223  -9.393  -9.373
  178   1HB   ARG  23          1HB       ARG  23   0.512  -7.037  -7.809
  179   2HB   ARG  23          2HB       ARG  23   1.475  -8.453  -7.407
  180   1HG   ARG  23          1HG       ARG  23   2.557  -7.145  -9.133
  181   2HG   ARG  23          2HG       ARG  23   2.067  -8.716  -9.767
  182   1HD   ARG  23          1HD       ARG  23   0.794  -7.768 -11.320
  183   2HD   ARG  23          2HD       ARG  23  -0.038  -6.786 -10.116
  184    HE   ARG  23           HE       ARG  23   1.324  -5.015 -10.652
  185   1HH1  ARG  23          1HH1      ARG  23   2.576  -7.931 -12.087
  186   2HH1  ARG  23          2HH1      ARG  23   3.745  -7.104 -13.063
  187   1HH2  ARG  23          1HH2      ARG  23   2.862  -3.916 -11.934
  188   2HH2  ARG  23          2HH2      ARG  23   3.907  -4.823 -12.975
  189    H    VAL  24           H        VAL  24  -0.557  -8.527  -5.916
  190    HA   VAL  24           HA       VAL  24   0.264 -10.881  -4.792
  191    HB   VAL  24           HB       VAL  24  -2.035  -9.189  -3.794
  192   1HG1  VAL  24          1HG1      VAL  24  -2.217 -10.826  -2.277
  193   2HG1  VAL  24          2HG1      VAL  24  -0.720 -10.178  -1.607
  194   3HG1  VAL  24          3HG1      VAL  24  -0.668 -11.539  -2.727
  195   1HG2  VAL  24          1HG2      VAL  24   0.665  -8.505  -4.150
  196   2HG2  VAL  24          2HG2      VAL  24   0.447  -8.783  -2.421
  197   3HG2  VAL  24          3HG2      VAL  24  -0.567  -7.611  -3.259
  198    H    ALA  25           H        ALA  25  -2.724 -10.246  -6.445
  199    HA   ALA  25           HA       ALA  25  -4.150 -12.528  -5.495
  200   1HB   ALA  25          1HB       ALA  25  -5.524 -12.035  -7.648
  201   2HB   ALA  25          2HB       ALA  25  -4.545 -10.569  -7.717
  202   3HB   ALA  25          3HB       ALA  25  -5.558 -10.888  -6.309
  203    H    ASP  26           H        ASP  26  -2.051 -11.864  -8.238
  204    HA   ASP  26           HA       ASP  26  -2.516 -14.464  -9.421
  205   1HB   ASP  26          1HB       ASP  26  -0.659 -12.186 -10.123
  206   2HB   ASP  26          2HB       ASP  26  -0.689 -13.709 -11.009
  207    H    GLY  27           H        GLY  27  -0.239 -12.949  -7.282
  208   1HA   GLY  27          1HA       GLY  27   0.980 -14.453  -5.786
  209   2HA   GLY  27          2HA       GLY  27   1.258 -15.492  -7.175
  210    H    GLU  28           H        GLU  28   1.528 -12.019  -7.399
  211    HA   GLU  28           HA       GLU  28   4.340 -12.315  -8.082
  212   1HB   GLU  28          1HB       GLU  28   2.590  -9.851  -8.213
  213   2HB   GLU  28          2HB       GLU  28   4.184 -10.044  -8.926
  214   1HG   GLU  28          1HG       GLU  28   2.785 -12.143 -10.002
  215   2HG   GLU  28          2HG       GLU  28   1.584 -10.855  -9.930
  216    H    ASP  29           H        ASP  29   5.921 -10.751  -7.244
  217    HA   ASP  29           HA       ASP  29   5.853 -10.640  -4.403
  218   1HB   ASP  29          1HB       ASP  29   7.761  -9.973  -6.535
  219   2HB   ASP  29          2HB       ASP  29   7.878  -8.931  -5.120
  220    HA   PRO  30           HA       PRO  30   3.261  -6.944  -4.333
  221   1HB   PRO  30          1HB       PRO  30   4.075  -6.973  -1.484
  222   2HB   PRO  30          2HB       PRO  30   2.464  -6.899  -2.198
  223   1HG   PRO  30          1HG       PRO  30   3.365  -9.146  -1.061
  224   2HG   PRO  30          2HG       PRO  30   2.334  -9.183  -2.503
  225   1HD   PRO  30          1HD       PRO  30   5.275  -9.618  -2.265
  226   2HD   PRO  30          2HD       PRO  30   4.099 -10.405  -3.337
  227    H    LYS  31           H        LYS  31   6.334  -7.158  -2.543
  228    HA   LYS  31           HA       LYS  31   6.926  -4.486  -2.264
  229   1HB   LYS  31          1HB       LYS  31   8.352  -6.933  -2.083
  230   2HB   LYS  31          2HB       LYS  31   9.321  -5.823  -3.040
  231   1HG   LYS  31          1HG       LYS  31   9.006  -4.131  -1.207
  232   2HG   LYS  31          2HG       LYS  31   8.307  -5.433  -0.239
  233   1HD   LYS  31          1HD       LYS  31  10.555  -5.396   0.401
  234   2HD   LYS  31          2HD       LYS  31  10.469  -6.715  -0.768
  235   1HE   LYS  31          1HE       LYS  31  11.580  -5.521  -2.399
  236   2HE   LYS  31          2HE       LYS  31  11.134  -3.961  -1.707
  237   1HZ   LYS  31          1HZ       LYS  31  13.138  -5.863  -0.619
  238   2HZ   LYS  31          2HZ       LYS  31  12.659  -4.432   0.145
  239   3HZ   LYS  31          3HZ       LYS  31  13.455  -4.369  -1.346
  240    H    ASP  32           H        ASP  32   7.227  -6.525  -5.108
  241    HA   ASP  32           HA       ASP  32   8.580  -4.665  -6.762
  242   1HB   ASP  32          1HB       ASP  32   7.675  -7.276  -7.042
  243   2HB   ASP  32          2HB       ASP  32   6.658  -6.369  -8.158
  244    H    VAL  33           H        VAL  33   5.175  -5.373  -6.134
  245    HA   VAL  33           HA       VAL  33   4.039  -3.524  -7.911
  246    HB   VAL  33           HB       VAL  33   2.909  -4.254  -5.210
  247   1HG1  VAL  33          1HG1      VAL  33   2.001  -2.531  -7.222
  248   2HG1  VAL  33          2HG1      VAL  33   1.088  -3.135  -5.838
  249   3HG1  VAL  33          3HG1      VAL  33   1.033  -3.995  -7.374
  250   1HG2  VAL  33          1HG2      VAL  33   1.671  -6.028  -6.565
  251   2HG2  VAL  33          2HG2      VAL  33   3.363  -6.342  -6.180
  252   3HG2  VAL  33          3HG2      VAL  33   2.914  -5.788  -7.792
  253    H    LEU  34           H        LEU  34   5.033  -3.213  -4.514
  254    HA   LEU  34           HA       LEU  34   4.206  -0.663  -3.946
  255   1HB   LEU  34          1HB       LEU  34   6.640  -2.206  -3.139
  256   2HB   LEU  34          2HB       LEU  34   6.449  -0.545  -2.622
  257    HG   LEU  34           HG       LEU  34   5.692  -2.342  -0.989
  258   1HD1  LEU  34          1HD1      LEU  34   4.935   0.196  -1.290
  259   2HD1  LEU  34          2HD1      LEU  34   4.280  -0.855  -0.034
  260   3HD1  LEU  34          3HD1      LEU  34   3.373  -0.589  -1.524
  261   1HD2  LEU  34          1HD2      LEU  34   3.574  -2.609  -3.098
  262   2HD2  LEU  34          2HD2      LEU  34   3.281  -3.034  -1.414
  263   3HD2  LEU  34          3HD2      LEU  34   4.531  -3.877  -2.328
  264    H    ASP  35           H        ASP  35   6.935  -1.674  -5.897
  265    HA   ASP  35           HA       ASP  35   8.117   0.879  -6.184
  266   1HB   ASP  35          1HB       ASP  35   8.956  -1.575  -6.817
  267   2HB   ASP  35          2HB       ASP  35   8.319  -1.116  -8.393
  268    H    ASP  36           H        ASP  36   5.618  -0.876  -7.912
  269    HA   ASP  36           HA       ASP  36   5.317   1.162  -9.943
  270   1HB   ASP  36          1HB       ASP  36   4.379  -1.550  -9.503
  271   2HB   ASP  36          2HB       ASP  36   3.059  -0.495  -9.997
  272    H    LEU  37           H        LEU  37   3.660   0.117  -7.014
  273    HA   LEU  37           HA       LEU  37   1.299   1.495  -7.091
  274   1HB   LEU  37          1HB       LEU  37   3.182   0.750  -4.908
  275   2HB   LEU  37          2HB       LEU  37   1.909   1.886  -4.520
  276    HG   LEU  37           HG       LEU  37   0.956  -0.507  -5.921
  277   1HD1  LEU  37          1HD1      LEU  37   2.590  -1.686  -4.682
  278   2HD1  LEU  37          2HD1      LEU  37   1.081  -1.857  -3.786
  279   3HD1  LEU  37          3HD1      LEU  37   2.309  -0.711  -3.239
  280   1HD2  LEU  37          1HD2      LEU  37  -0.084   0.132  -3.276
  281   2HD2  LEU  37          2HD2      LEU  37  -0.919   0.009  -4.824
  282   3HD2  LEU  37          3HD2      LEU  37  -0.104   1.510  -4.379
  283    H    GLY  38           H        GLY  38   4.283   2.760  -5.595
  284   1HA   GLY  38          1HA       GLY  38   5.123   4.941  -6.242
  285   2HA   GLY  38          2HA       GLY  38   3.458   5.457  -6.459
  286    H    LEU  39           H        LEU  39   5.070   3.749  -3.785
  287    HA   LEU  39           HA       LEU  39   4.211   5.938  -2.010
  288   1HB   LEU  39          1HB       LEU  39   4.764   3.274  -0.844
  289   2HB   LEU  39          2HB       LEU  39   3.552   4.461  -0.406
  290    HG   LEU  39           HG       LEU  39   2.400   3.765  -2.621
  291   1HD1  LEU  39          1HD1      LEU  39   2.953   1.146  -2.757
  292   2HD1  LEU  39          2HD1      LEU  39   4.552   1.772  -2.350
  293   3HD1  LEU  39          3HD1      LEU  39   3.717   2.357  -3.786
  294   1HD2  LEU  39          1HD2      LEU  39   1.013   2.370  -1.445
  295   2HD2  LEU  39          2HD2      LEU  39   1.823   3.232  -0.135
  296   3HD2  LEU  39          3HD2      LEU  39   2.342   1.604  -0.574
  297    H    LYS  40           H        LYS  40   6.099   7.109  -2.131
  298    HA   LYS  40           HA       LYS  40   8.684   6.295  -2.196
  299   1HB   LYS  40          1HB       LYS  40   7.503   8.656  -0.739
  300   2HB   LYS  40          2HB       LYS  40   9.231   8.431  -0.965
  301   1HG   LYS  40          1HG       LYS  40   7.210   8.650  -3.186
  302   2HG   LYS  40          2HG       LYS  40   8.248   9.959  -2.615
  303   1HD   LYS  40          1HD       LYS  40   9.626   9.255  -4.251
  304   2HD   LYS  40          2HD       LYS  40  10.082   8.019  -3.077
  305   1HE   LYS  40          1HE       LYS  40   9.527   6.555  -4.675
  306   2HE   LYS  40          2HE       LYS  40   7.861   6.923  -4.229
  307   1HZ   LYS  40          1HZ       LYS  40   9.078   8.737  -6.138
  308   2HZ   LYS  40          2HZ       LYS  40   7.521   8.078  -6.110
  309   3HZ   LYS  40          3HZ       LYS  40   8.816   7.164  -6.700
  310    H    ARG  41           H        ARG  41   7.730   7.659   0.916
  311    HA   ARG  41           HA       ARG  41   9.606   6.417   2.445
  312   1HB   ARG  41          1HB       ARG  41   6.785   7.160   3.235
  313   2HB   ARG  41          2HB       ARG  41   8.050   6.737   4.382
  314   1HG   ARG  41          1HG       ARG  41   7.896   9.132   2.580
  315   2HG   ARG  41          2HG       ARG  41   7.974   9.084   4.343
  316   1HD   ARG  41          1HD       ARG  41  10.259   7.780   3.685
  317   2HD   ARG  41          2HD       ARG  41  10.125   8.921   2.348
  318    HE   ARG  41           HE       ARG  41  10.905   9.525   4.987
  319   1HH1  ARG  41          1HH1      ARG  41   8.965  10.776   2.379
  320   2HH1  ARG  41          2HH1      ARG  41   9.161  12.430   2.854
  321   1HH2  ARG  41          1HH2      ARG  41  11.169  11.702   5.621
  322   2HH2  ARG  41          2HH2      ARG  41  10.413  12.956   4.697
  323    H    TYR  42           H        TYR  42   9.964   4.469   3.318
  324    HA   TYR  42           HA       TYR  42   8.387   2.239   2.461
  325   1HB   TYR  42          1HB       TYR  42  10.966   2.409   2.985
  326   2HB   TYR  42          2HB       TYR  42  10.451   2.008   4.620
  327    HD1  TYR  42           HD1      TYR  42  11.526   0.672   1.572
  328    HD2  TYR  42           HD2      TYR  42   8.796  -0.072   4.750
  329    HE1  TYR  42           HE1      TYR  42  11.481  -1.711   0.967
  330    HE2  TYR  42           HE2      TYR  42   8.744  -2.457   4.153
  331    HH   TYR  42           HH       TYR  42  10.389  -4.087   2.931
  332    H    CYS  43           H        CYS  43   8.521   4.241   5.281
  333    HA   CYS  43           HA       CYS  43   7.487   2.650   7.269
  334   1HB   CYS  43          1HB       CYS  43   6.591   4.678   8.270
  335   2HB   CYS  43          2HB       CYS  43   8.167   5.013   7.560
  336    H    CYS  44           H        CYS  44   5.928   3.824   4.413
  337    HA   CYS  44           HA       CYS  44   3.255   3.177   5.334
  338   1HB   CYS  44          1HB       CYS  44   3.898   3.693   2.455
  339   2HB   CYS  44          2HB       CYS  44   2.473   4.156   3.381
  340    H    ARG  45           H        ARG  45   5.385   2.029   2.707
  341    HA   ARG  45           HA       ARG  45   3.933  -0.092   1.800
  342   1HB   ARG  45          1HB       ARG  45   6.907  -0.298   2.226
  343   2HB   ARG  45          2HB       ARG  45   5.943  -1.038   0.958
  344   1HG   ARG  45          1HG       ARG  45   5.415   1.333   0.203
  345   2HG   ARG  45          2HG       ARG  45   6.735   1.833   1.262
  346   1HD   ARG  45          1HD       ARG  45   7.534  -0.394  -0.379
  347   2HD   ARG  45          2HD       ARG  45   6.922   0.925  -1.377
  348    HE   ARG  45           HE       ARG  45   8.655   2.057   0.463
  349   1HH1  ARG  45          1HH1      ARG  45   8.805  -0.263  -2.130
  350   2HH1  ARG  45          2HH1      ARG  45  10.452   0.097  -2.530
  351   1HH2  ARG  45          1HH2      ARG  45  10.824   2.538  -0.054
  352   2HH2  ARG  45          2HH2      ARG  45  11.600   1.689  -1.349
  353    H    ARG  46           H        ARG  46   6.455  -0.385   4.320
  354    HA   ARG  46           HA       ARG  46   6.323  -2.965   5.025
  355   1HB   ARG  46          1HB       ARG  46   6.938  -2.372   7.273
  356   2HB   ARG  46          2HB       ARG  46   7.691  -1.229   6.167
  357   1HG   ARG  46          1HG       ARG  46   5.878   0.375   6.659
  358   2HG   ARG  46          2HG       ARG  46   5.233  -0.765   7.841
  359   1HD   ARG  46          1HD       ARG  46   6.605   0.955   8.911
  360   2HD   ARG  46          2HD       ARG  46   7.298  -0.653   9.113
  361    HE   ARG  46           HE       ARG  46   8.420   0.571   6.841
  362   1HH1  ARG  46          1HH1      ARG  46   8.442   0.791  10.316
  363   2HH1  ARG  46          2HH1      ARG  46  10.047   1.435  10.395
  364   1HH2  ARG  46          1HH2      ARG  46  10.534   1.422   6.933
  365   2HH2  ARG  46          2HH2      ARG  46  11.237   1.795   8.471
  366    H    MET  47           H        MET  47   3.958  -0.538   6.034
  367    HA   MET  47           HA       MET  47   2.409  -2.401   7.556
  368   1HB   MET  47          1HB       MET  47   1.472   0.262   6.499
  369   2HB   MET  47          2HB       MET  47   0.895  -0.599   7.917
  370   1HG   MET  47          1HG       MET  47   3.180  -0.284   8.909
  371   2HG   MET  47          2HG       MET  47   3.534   0.788   7.555
  372   1HE   MET  47          1HE       MET  47   1.447   2.189   6.790
  373   2HE   MET  47          2HE       MET  47   1.950   3.656   7.627
  374   3HE   MET  47          3HE       MET  47   0.332   3.008   7.884
  375    H    LEU  48           H        LEU  48   2.243  -0.980   4.348
  376    HA   LEU  48           HA       LEU  48  -0.270  -2.138   3.670
  377   1HB   LEU  48          1HB       LEU  48   1.814  -1.155   1.736
  378   2HB   LEU  48          2HB       LEU  48   0.080  -1.249   1.493
  379    HG   LEU  48           HG       LEU  48   1.075   0.483   3.690
  380   1HD1  LEU  48          1HD1      LEU  48   0.892   1.851   1.119
  381   2HD1  LEU  48          2HD1      LEU  48   2.264   0.751   1.251
  382   3HD1  LEU  48          3HD1      LEU  48   2.056   2.048   2.428
  383   1HD2  LEU  48          1HD2      LEU  48  -1.240   0.414   1.809
  384   2HD2  LEU  48          2HD2      LEU  48  -0.804   1.908   2.640
  385   3HD2  LEU  48          3HD2      LEU  48  -1.229   0.472   3.572
  386    H    ILE  49           H        ILE  49   2.996  -2.800   2.318
  387    HA   ILE  49           HA       ILE  49   2.449  -4.934   0.753
  388    HB   ILE  49           HB       ILE  49   4.722  -5.927   1.623
  389   1HG1  ILE  49          1HG1      ILE  49   5.393  -3.157   2.369
  390   2HG1  ILE  49          2HG1      ILE  49   4.397  -4.018   3.546
  391   1HG2  ILE  49          1HG2      ILE  49   4.477  -3.300   0.179
  392   2HG2  ILE  49          2HG2      ILE  49   4.398  -4.907  -0.542
  393   3HG2  ILE  49          3HG2      ILE  49   5.906  -4.334   0.173
  394   1HD1  ILE  49          1HD1      ILE  49   7.114  -4.104   3.412
  395   2HD1  ILE  49          2HD1      ILE  49   6.654  -5.578   2.559
  396   3HD1  ILE  49          3HD1      ILE  49   6.092  -5.301   4.207
  397    H    SER  50           H        SER  50   2.449  -4.939   4.233
  398    HA   SER  50           HA       SER  50   2.175  -7.826   4.381
  399   1HB   SER  50          1HB       SER  50   2.478  -5.609   6.360
  400   2HB   SER  50          2HB       SER  50   1.729  -7.113   6.899
  401    HG   SER  50           HG       SER  50   4.333  -6.574   6.393
  402    H    HIS  51           H        HIS  51   0.260  -5.273   5.949
  403    HA   HIS  51           HA       HIS  51  -2.116  -6.913   5.702
  404   1HB   HIS  51          1HB       HIS  51  -1.485  -5.663   7.802
  405   2HB   HIS  51          2HB       HIS  51  -1.877  -4.173   6.951
  406    HD2  HIS  51           HD2      HIS  51  -4.571  -6.113   5.642
  407    HE1  HIS  51           HE1      HIS  51  -5.896  -5.187   9.555
  408    HE2  HIS  51           HE2      HIS  51  -6.597  -6.009   7.260
  409    H    VAL  52           H        VAL  52  -1.456  -3.468   5.033
  410    HA   VAL  52           HA       VAL  52  -2.510  -1.981   3.666
  411    HB   VAL  52           HB       VAL  52  -1.077  -2.949   2.016
  412   1HG1  VAL  52          1HG1      VAL  52  -1.563  -5.289   2.283
  413   2HG1  VAL  52          2HG1      VAL  52  -1.781  -4.828   0.595
  414   3HG1  VAL  52          3HG1      VAL  52  -3.185  -5.063   1.633
  415   1HG2  VAL  52          1HG2      VAL  52  -2.656  -1.335   1.190
  416   2HG2  VAL  52          2HG2      VAL  52  -3.864  -2.596   0.940
  417   3HG2  VAL  52          3HG2      VAL  52  -2.389  -2.582  -0.027
  418    H    GLU  53           H        GLU  53  -4.436  -2.104   5.012
  419    HA   GLU  53           HA       GLU  53  -6.609  -3.732   4.715
  420   1HB   GLU  53          1HB       GLU  53  -6.109  -1.487   6.142
  421   2HB   GLU  53          2HB       GLU  53  -7.262  -0.859   4.972
  422   1HG   GLU  53          1HG       GLU  53  -8.593  -3.037   5.684
  423   2HG   GLU  53          2HG       GLU  53  -7.646  -2.819   7.156
  424    H    THR  54           H        THR  54  -7.053  -4.396   2.645
  425    HA   THR  54           HA       THR  54  -7.748  -2.370   0.649
  426    HB   THR  54           HB       THR  54  -7.987  -4.471  -0.838
  427    HG1  THR  54           HG1      THR  54  -7.788  -6.235   0.339
  428   1HG2  THR  54          1HG2      THR  54  -6.129  -2.824  -0.936
  429   2HG2  THR  54          2HG2      THR  54  -5.626  -4.466  -1.337
  430   3HG2  THR  54          3HG2      THR  54  -5.255  -3.791   0.250
  431    H    TRP  55           H        TRP  55  -9.513  -2.615   2.814
  432    HA   TRP  55           HA       TRP  55 -11.717  -2.858   3.319
  433   1HB   TRP  55          1HB       TRP  55 -11.629  -1.748   0.866
  434   2HB   TRP  55          2HB       TRP  55 -12.505  -3.226   0.481
  435    HD1  TRP  55           HD1      TRP  55 -14.886  -3.593   1.794
  436    HE1  TRP  55           HE1      TRP  55 -16.575  -1.854   2.660
  437    HE3  TRP  55           HE3      TRP  55 -11.861   0.530   1.832
  438    HZ2  TRP  55           HZ2      TRP  55 -16.619   0.899   3.277
  439    HZ3  TRP  55           HZ3      TRP  55 -12.804   2.678   2.575
  440    HH2  TRP  55           HH2      TRP  55 -15.134   2.857   3.283
  Start of MODEL    9
    1    H    MET   1           H        MET   1  -8.016   6.018   0.878
    2    HA   MET   1           HA       MET   1  -6.417   3.880   2.044
    3   1HB   MET   1          1HB       MET   1  -4.783   5.582   2.514
    4   2HB   MET   1          2HB       MET   1  -5.354   5.812   0.869
    5   1HG   MET   1          1HG       MET   1  -6.442   7.762   1.365
    6   2HG   MET   1          2HG       MET   1  -6.669   7.334   3.060
    7   1HE   MET   1          1HE       MET   1  -4.226   8.037   5.021
    8   2HE   MET   1          2HE       MET   1  -2.918   7.286   4.108
    9   3HE   MET   1          3HE       MET   1  -4.486   6.486   4.222
   10    H    ILE   2           H        ILE   2  -5.587   4.291   4.327
   11    HA   ILE   2           HA       ILE   2  -7.792   4.310   6.108
   12    HB   ILE   2           HB       ILE   2  -4.827   4.401   6.599
   13   1HG1  ILE   2          1HG1      ILE   2  -5.216   2.070   7.386
   14   2HG1  ILE   2          2HG1      ILE   2  -6.902   2.226   6.910
   15   1HG2  ILE   2          1HG2      ILE   2  -6.200   5.470   8.465
   16   2HG2  ILE   2          2HG2      ILE   2  -5.105   4.163   8.905
   17   3HG2  ILE   2          3HG2      ILE   2  -6.832   3.850   8.753
   18   1HD1  ILE   2          1HD1      ILE   2  -4.715   2.661   4.927
   19   2HD1  ILE   2          2HD1      ILE   2  -6.397   2.210   4.653
   20   3HD1  ILE   2          3HD1      ILE   2  -5.269   1.036   5.332
   21    HA   PRO   3           HA       PRO   3  -8.068   8.720   6.809
   22   1HB   PRO   3          1HB       PRO   3  -9.661   8.752   8.920
   23   2HB   PRO   3          2HB       PRO   3 -10.254   8.037   7.409
   24   1HG   PRO   3          1HG       PRO   3  -8.948   6.644   9.757
   25   2HG   PRO   3          2HG       PRO   3 -10.549   6.305   9.040
   26   1HD   PRO   3          1HD       PRO   3  -8.384   4.897   8.316
   27   2HD   PRO   3          2HD       PRO   3  -9.609   5.357   7.116
   28    H    VAL   4           H        VAL   4  -5.615   7.804   7.594
   29    HA   VAL   4           HA       VAL   4  -4.432   9.435   9.309
   30    HB   VAL   4           HB       VAL   4  -6.164   7.606  10.876
   31   1HG1  VAL   4          1HG1      VAL   4  -3.281   8.085  11.635
   32   2HG1  VAL   4          2HG1      VAL   4  -4.200   6.578  11.673
   33   3HG1  VAL   4          3HG1      VAL   4  -4.528   7.841  12.859
   34   1HG2  VAL   4          1HG2      VAL   4  -6.060  10.234  10.642
   35   2HG2  VAL   4          2HG2      VAL   4  -4.877  10.078  11.940
   36   3HG2  VAL   4          3HG2      VAL   4  -6.518   9.469  12.164
   37    H    ARG   5           H        ARG   5  -2.306   8.711   9.968
   38    HA   ARG   5           HA       ARG   5  -0.441   7.371   9.941
   39   1HB   ARG   5          1HB       ARG   5  -2.428   5.501  10.196
   40   2HB   ARG   5          2HB       ARG   5  -1.684   5.020   8.675
   41   1HG   ARG   5          1HG       ARG   5  -0.351   3.827  10.035
   42   2HG   ARG   5          2HG       ARG   5   0.519   5.357  10.177
   43   1HD   ARG   5          1HD       ARG   5   0.015   5.541  12.341
   44   2HD   ARG   5          2HD       ARG   5  -1.689   5.204  12.042
   45    HE   ARG   5           HE       ARG   5  -1.336   3.042  12.691
   46   1HH1  ARG   5          1HH1      ARG   5   1.734   4.534  12.007
   47   2HH1  ARG   5          2HH1      ARG   5   2.662   3.200  12.604
   48   1HH2  ARG   5          1HH2      ARG   5  -0.124   1.279  13.480
   49   2HH2  ARG   5          2HH2      ARG   5   1.606   1.348  13.442
   50    H    CYS   6           H        CYS   6   0.520   5.602   8.158
   51    HA   CYS   6           HA       CYS   6   1.145   7.138   5.883
   52   1HB   CYS   6          1HB       CYS   6   1.428   4.169   6.371
   53   2HB   CYS   6          2HB       CYS   6   2.192   5.045   5.055
   54    H    LEU   7           H        LEU   7   0.873   5.166   3.824
   55    HA   LEU   7           HA       LEU   7  -0.600   4.263   2.318
   56   1HB   LEU   7          1HB       LEU   7  -2.832   5.290   4.055
   57   2HB   LEU   7          2HB       LEU   7  -2.979   4.181   2.720
   58    HG   LEU   7           HG       LEU   7  -2.928   2.524   4.205
   59   1HD1  LEU   7          1HD1      LEU   7  -0.900   1.657   4.875
   60   2HD1  LEU   7          2HD1      LEU   7  -0.205   3.245   5.195
   61   3HD1  LEU   7          3HD1      LEU   7  -0.426   2.699   3.533
   62   1HD2  LEU   7          1HD2      LEU   7  -3.090   4.698   5.873
   63   2HD2  LEU   7          2HD2      LEU   7  -1.742   3.775   6.537
   64   3HD2  LEU   7          3HD2      LEU   7  -3.321   3.013   6.332
   65    H    SER   8           H        SER   8   0.603   6.808   2.345
   66    HA   SER   8           HA       SER   8  -0.403   8.010   0.106
   67   1HB   SER   8          1HB       SER   8  -1.950   8.714   2.466
   68   2HB   SER   8          2HB       SER   8  -1.236  10.139   1.710
   69    HG   SER   8           HG       SER   8  -2.434   9.839  -0.031
   70    H    CYS   9           H        CYS   9   0.393   9.589   3.194
   71    HA   CYS   9           HA       CYS   9   2.068  11.042   3.749
   72   1HB   CYS   9          1HB       CYS   9   3.452   8.729   2.424
   73   2HB   CYS   9          2HB       CYS   9   4.384  10.086   3.044
   74    H    GLY  10           H        GLY  10   0.763  11.503   1.118
   75   1HA   GLY  10          1HA       GLY  10   1.284  13.616  -0.044
   76   2HA   GLY  10          2HA       GLY  10   2.948  13.050  -0.131
   77    H    LYS  11           H        LYS  11   1.809  10.275  -0.659
   78    HA   LYS  11           HA       LYS  11   1.085  10.686  -3.482
   79   1HB   LYS  11          1HB       LYS  11   3.375   9.365  -2.308
   80   2HB   LYS  11          2HB       LYS  11   2.462   8.259  -3.327
   81   1HG   LYS  11          1HG       LYS  11   4.155   9.290  -4.655
   82   2HG   LYS  11          2HG       LYS  11   2.595   9.955  -5.151
   83   1HD   LYS  11          1HD       LYS  11   3.288  11.685  -3.198
   84   2HD   LYS  11          2HD       LYS  11   4.878  11.263  -3.830
   85   1HE   LYS  11          1HE       LYS  11   3.517  11.655  -6.132
   86   2HE   LYS  11          2HE       LYS  11   2.688  12.794  -5.072
   87   1HZ   LYS  11          1HZ       LYS  11   4.544  14.065  -4.828
   88   2HZ   LYS  11          2HZ       LYS  11   4.830  13.476  -6.388
   89   3HZ   LYS  11          3HZ       LYS  11   5.617  12.778  -5.063
   90    HA   PRO  12           HA       PRO  12  -2.468   8.354  -1.823
   91   1HB   PRO  12          1HB       PRO  12  -3.029   8.449  -4.754
   92   2HB   PRO  12          2HB       PRO  12  -4.114   8.750  -3.392
   93   1HG   PRO  12          1HG       PRO  12  -3.122  10.777  -4.803
   94   2HG   PRO  12          2HG       PRO  12  -3.286  10.895  -3.041
   95   1HD   PRO  12          1HD       PRO  12  -0.843  10.488  -4.696
   96   2HD   PRO  12          2HD       PRO  12  -1.033  11.357  -3.160
   97    H    VAL  13           H        VAL  13  -2.643   6.212  -1.581
   98    HA   VAL  13           HA       VAL  13  -1.215   4.485  -3.494
   99    HB   VAL  13           HB       VAL  13  -0.871   2.900  -1.706
  100   1HG1  VAL  13          1HG1      VAL  13  -0.158   5.726  -0.930
  101   2HG1  VAL  13          2HG1      VAL  13   0.805   4.609  -1.899
  102   3HG1  VAL  13          3HG1      VAL  13   0.534   4.283  -0.187
  103   1HG2  VAL  13          1HG2      VAL  13  -1.633   3.233   0.538
  104   2HG2  VAL  13          2HG2      VAL  13  -3.027   3.380  -0.532
  105   3HG2  VAL  13          3HG2      VAL  13  -2.276   4.826   0.141
  106    H    SER  14           H        SER  14  -4.270   5.171  -2.052
  107    HA   SER  14           HA       SER  14  -5.572   2.720  -2.259
  108   1HB   SER  14          1HB       SER  14  -6.931   5.337  -2.885
  109   2HB   SER  14          2HB       SER  14  -7.596   3.917  -2.072
  110    HG   SER  14           HG       SER  14  -5.924   4.412  -0.411
  111    H    ALA  15           H        ALA  15  -4.939   5.181  -4.699
  112    HA   ALA  15           HA       ALA  15  -6.567   4.046  -6.727
  113   1HB   ALA  15          1HB       ALA  15  -4.829   5.422  -8.185
  114   2HB   ALA  15          2HB       ALA  15  -4.454   6.124  -6.612
  115   3HB   ALA  15          3HB       ALA  15  -6.098   6.209  -7.247
  116    H    TYR  16           H        TYR  16  -3.180   3.645  -5.819
  117    HA   TYR  16           HA       TYR  16  -2.630   1.898  -8.047
  118   1HB   TYR  16          1HB       TYR  16  -1.076   3.025  -5.760
  119   2HB   TYR  16          2HB       TYR  16  -0.468   1.584  -6.561
  120    HD1  TYR  16           HD1      TYR  16  -0.963   5.165  -6.837
  121    HD2  TYR  16           HD2      TYR  16   0.161   1.645  -8.949
  122    HE1  TYR  16           HE1      TYR  16   0.035   6.553  -8.606
  123    HE2  TYR  16           HE2      TYR  16   1.161   3.025 -10.725
  124    HH   TYR  16           HH       TYR  16   1.048   5.244 -11.619
  125    H    PHE  17           H        PHE  17  -3.733   1.602  -4.795
  126    HA   PHE  17           HA       PHE  17  -2.918  -0.829  -3.913
  127   1HB   PHE  17          1HB       PHE  17  -5.494   0.645  -3.699
  128   2HB   PHE  17          2HB       PHE  17  -5.493  -1.042  -3.200
  129    HD1  PHE  17           HD1      PHE  17  -6.160  -0.071  -0.971
  130    HD2  PHE  17           HD2      PHE  17  -2.346   0.620  -2.733
  131    HE1  PHE  17           HE1      PHE  17  -5.263   0.575   1.228
  132    HE2  PHE  17           HE2      PHE  17  -1.446   1.266  -0.538
  133    HZ   PHE  17           HZ       PHE  17  -2.906   1.244   1.445
  134    H    ASN  18           H        ASN  18  -5.039  -0.212  -6.605
  135    HA   ASN  18           HA       ASN  18  -6.135  -2.779  -6.935
  136   1HB   ASN  18          1HB       ASN  18  -5.463  -0.696  -9.028
  137   2HB   ASN  18          2HB       ASN  18  -6.496  -2.099  -9.290
  138   1HD2  ASN  18          1HD2      ASN  18  -7.173   0.672  -9.593
  139   2HD2  ASN  18          2HD2      ASN  18  -8.473   0.995  -8.491
  140    H    GLU  19           H        GLU  19  -3.147  -1.315  -8.137
  141    HA   GLU  19           HA       GLU  19  -2.272  -3.420  -9.754
  142   1HB   GLU  19          1HB       GLU  19  -1.312  -0.972  -9.229
  143   2HB   GLU  19          2HB       GLU  19  -0.249  -1.900  -8.185
  144   1HG   GLU  19          1HG       GLU  19   0.962  -1.818 -10.125
  145   2HG   GLU  19          2HG       GLU  19   0.121  -3.357 -10.303
  146    H    TYR  20           H        TYR  20  -1.589  -2.728  -6.340
  147    HA   TYR  20           HA       TYR  20   0.015  -4.938  -5.773
  148   1HB   TYR  20          1HB       TYR  20  -0.161  -3.196  -4.157
  149   2HB   TYR  20          2HB       TYR  20  -1.909  -3.363  -4.062
  150    HD1  TYR  20           HD1      TYR  20  -2.869  -5.448  -3.005
  151    HD2  TYR  20           HD2      TYR  20   1.255  -4.444  -2.756
  152    HE1  TYR  20           HE1      TYR  20  -2.619  -6.978  -1.094
  153    HE2  TYR  20           HE2      TYR  20   1.520  -5.970  -0.844
  154    HH   TYR  20           HH       TYR  20  -0.022  -6.939   0.961
  155    H    GLN  21           H        GLN  21  -3.498  -4.570  -5.554
  156    HA   GLN  21           HA       GLN  21  -4.156  -7.070  -4.563
  157   1HB   GLN  21          1HB       GLN  21  -5.786  -5.260  -4.809
  158   2HB   GLN  21          2HB       GLN  21  -5.691  -5.396  -6.560
  159   1HG   GLN  21          1HG       GLN  21  -6.911  -7.326  -6.620
  160   2HG   GLN  21          2HG       GLN  21  -6.445  -7.802  -4.987
  161   1HE2  GLN  21          1HE2      GLN  21  -7.439  -6.713  -3.209
  162   2HE2  GLN  21          2HE2      GLN  21  -9.013  -6.021  -3.383
  163    H    ARG  22           H        ARG  22  -4.212  -6.116  -8.005
  164    HA   ARG  22           HA       ARG  22  -4.706  -8.557  -9.148
  165   1HB   ARG  22          1HB       ARG  22  -3.086  -6.199 -10.048
  166   2HB   ARG  22          2HB       ARG  22  -3.146  -7.648 -11.042
  167   1HG   ARG  22          1HG       ARG  22  -5.802  -6.980 -10.285
  168   2HG   ARG  22          2HG       ARG  22  -5.011  -5.530 -10.906
  169   1HD   ARG  22          1HD       ARG  22  -4.200  -7.173 -12.789
  170   2HD   ARG  22          2HD       ARG  22  -5.602  -8.110 -12.276
  171    HE   ARG  22           HE       ARG  22  -6.408  -5.460 -12.666
  172   1HH1  ARG  22          1HH1      ARG  22  -5.267  -8.186 -14.508
  173   2HH1  ARG  22          2HH1      ARG  22  -6.106  -7.728 -15.953
  174   1HH2  ARG  22          1HH2      ARG  22  -7.519  -4.847 -14.565
  175   2HH2  ARG  22          2HH2      ARG  22  -7.386  -5.830 -15.985
  176    H    ARG  23           H        ARG  23  -1.469  -7.200  -8.534
  177    HA   ARG  23           HA       ARG  23   0.025  -9.388  -9.341
  178   1HB   ARG  23          1HB       ARG  23   0.490  -6.969  -7.865
  179   2HB   ARG  23          2HB       ARG  23   1.444  -8.304  -7.222
  180   1HG   ARG  23          1HG       ARG  23   2.852  -7.618  -8.846
  181   2HG   ARG  23          2HG       ARG  23   1.880  -8.723  -9.802
  182   1HD   ARG  23          1HD       ARG  23   0.411  -6.723 -10.328
  183   2HD   ARG  23          2HD       ARG  23   1.713  -5.728  -9.676
  184    HE   ARG  23           HE       ARG  23   2.953  -6.156 -11.562
  185   1HH1  ARG  23          1HH1      ARG  23   0.207  -8.296 -11.454
  186   2HH1  ARG  23          2HH1      ARG  23   0.437  -8.882 -13.068
  187   1HH2  ARG  23          1HH2      ARG  23   3.263  -6.921 -13.688
  188   2HH2  ARG  23          2HH2      ARG  23   2.173  -8.100 -14.338
  189    H    VAL  24           H        VAL  24  -0.584  -8.536  -5.928
  190    HA   VAL  24           HA       VAL  24   0.268 -10.890  -4.779
  191    HB   VAL  24           HB       VAL  24  -2.070  -9.245  -3.806
  192   1HG1  VAL  24          1HG1      VAL  24  -0.156 -11.062  -2.346
  193   2HG1  VAL  24          2HG1      VAL  24  -1.861 -11.380  -2.666
  194   3HG1  VAL  24          3HG1      VAL  24  -1.395 -10.062  -1.590
  195   1HG2  VAL  24          1HG2      VAL  24   0.343  -8.643  -2.436
  196   2HG2  VAL  24          2HG2      VAL  24  -0.664  -7.574  -3.413
  197   3HG2  VAL  24          3HG2      VAL  24   0.640  -8.491  -4.168
  198    H    ALA  25           H        ALA  25  -2.656 -10.256  -6.522
  199    HA   ALA  25           HA       ALA  25  -4.201 -12.433  -5.585
  200   1HB   ALA  25          1HB       ALA  25  -4.399 -10.416  -7.659
  201   2HB   ALA  25          2HB       ALA  25  -5.667 -11.191  -6.711
  202   3HB   ALA  25          3HB       ALA  25  -5.053 -11.972  -8.169
  203    H    ASP  26           H        ASP  26  -2.460 -12.051  -8.679
  204    HA   ASP  26           HA       ASP  26  -2.730 -14.752  -9.444
  205   1HB   ASP  26          1HB       ASP  26  -1.656 -12.385 -10.561
  206   2HB   ASP  26          2HB       ASP  26  -0.365 -13.583 -10.589
  207    H    GLY  27           H        GLY  27  -0.392 -13.067  -7.479
  208   1HA   GLY  27          1HA       GLY  27   0.734 -14.491  -5.802
  209   2HA   GLY  27          2HA       GLY  27   1.043 -15.625  -7.109
  210    H    GLU  28           H        GLU  28   1.346 -12.138  -7.412
  211    HA   GLU  28           HA       GLU  28   4.153 -12.492  -8.105
  212   1HB   GLU  28          1HB       GLU  28   2.546  -9.944  -8.262
  213   2HB   GLU  28          2HB       GLU  28   4.032 -10.339  -9.111
  214   1HG   GLU  28          1HG       GLU  28   2.477 -12.305 -10.036
  215   2HG   GLU  28          2HG       GLU  28   1.249 -11.080  -9.724
  216    H    ASP  29           H        ASP  29   5.772 -11.004  -7.291
  217    HA   ASP  29           HA       ASP  29   5.718 -10.794  -4.467
  218   1HB   ASP  29          1HB       ASP  29   7.658 -10.619  -6.501
  219   2HB   ASP  29          2HB       ASP  29   7.712  -9.078  -5.649
  220    HA   PRO  30           HA       PRO  30   3.280  -6.983  -4.430
  221   1HB   PRO  30          1HB       PRO  30   4.046  -7.021  -1.575
  222   2HB   PRO  30          2HB       PRO  30   2.450  -6.931  -2.315
  223   1HG   PRO  30          1HG       PRO  30   3.314  -9.171  -1.125
  224   2HG   PRO  30          2HG       PRO  30   2.274  -9.214  -2.560
  225   1HD   PRO  30          1HD       PRO  30   5.209  -9.698  -2.327
  226   2HD   PRO  30          2HD       PRO  30   4.014 -10.486  -3.377
  227    H    LYS  31           H        LYS  31   6.346  -7.370  -2.669
  228    HA   LYS  31           HA       LYS  31   7.034  -4.728  -2.295
  229   1HB   LYS  31          1HB       LYS  31   8.376  -7.258  -2.260
  230   2HB   LYS  31          2HB       LYS  31   9.395  -6.077  -3.069
  231   1HG   LYS  31          1HG       LYS  31   8.159  -5.135  -0.580
  232   2HG   LYS  31          2HG       LYS  31   9.309  -6.462  -0.392
  233   1HD   LYS  31          1HD       LYS  31  10.273  -4.409  -2.208
  234   2HD   LYS  31          2HD       LYS  31   9.929  -3.776  -0.596
  235   1HE   LYS  31          1HE       LYS  31  11.927  -4.553   0.008
  236   2HE   LYS  31          2HE       LYS  31  11.230  -6.168  -0.108
  237   1HZ   LYS  31          1HZ       LYS  31  12.119  -6.484  -2.214
  238   2HZ   LYS  31          2HZ       LYS  31  13.363  -5.681  -1.397
  239   3HZ   LYS  31          3HZ       LYS  31  12.377  -4.834  -2.479
  240    H    ASP  32           H        ASP  32   7.295  -6.703  -5.192
  241    HA   ASP  32           HA       ASP  32   8.698  -4.810  -6.780
  242   1HB   ASP  32          1HB       ASP  32   7.756  -7.417  -7.130
  243   2HB   ASP  32          2HB       ASP  32   6.826  -6.460  -8.280
  244    H    VAL  33           H        VAL  33   5.298  -5.509  -6.168
  245    HA   VAL  33           HA       VAL  33   4.152  -3.677  -7.951
  246    HB   VAL  33           HB       VAL  33   3.080  -4.470  -5.240
  247   1HG1  VAL  33          1HG1      VAL  33   2.146  -2.550  -6.962
  248   2HG1  VAL  33          2HG1      VAL  33   1.190  -3.388  -5.740
  249   3HG1  VAL  33          3HG1      VAL  33   1.195  -3.968  -7.406
  250   1HG2  VAL  33          1HG2      VAL  33   1.752  -6.133  -6.632
  251   2HG2  VAL  33          2HG2      VAL  33   3.458  -6.497  -6.369
  252   3HG2  VAL  33          3HG2      VAL  33   2.926  -5.830  -7.913
  253    H    LEU  34           H        LEU  34   5.216  -3.327  -4.584
  254    HA   LEU  34           HA       LEU  34   4.364  -0.779  -4.014
  255   1HB   LEU  34          1HB       LEU  34   6.812  -2.309  -3.231
  256   2HB   LEU  34          2HB       LEU  34   6.647  -0.638  -2.743
  257    HG   LEU  34           HG       LEU  34   5.920  -2.388  -1.056
  258   1HD1  LEU  34          1HD1      LEU  34   5.155   0.144  -1.397
  259   2HD1  LEU  34          2HD1      LEU  34   4.525  -0.879  -0.105
  260   3HD1  LEU  34          3HD1      LEU  34   3.589  -0.646  -1.582
  261   1HD2  LEU  34          1HD2      LEU  34   3.772  -2.715  -3.120
  262   2HD2  LEU  34          2HD2      LEU  34   3.491  -3.078  -1.420
  263   3HD2  LEU  34          3HD2      LEU  34   4.730  -3.957  -2.314
  264    H    ASP  35           H        ASP  35   7.214  -1.766  -5.850
  265    HA   ASP  35           HA       ASP  35   8.291   0.804  -6.231
  266   1HB   ASP  35          1HB       ASP  35   9.198  -1.650  -6.800
  267   2HB   ASP  35          2HB       ASP  35   8.590  -1.219  -8.396
  268    H    ASP  36           H        ASP  36   5.768  -0.998  -7.825
  269    HA   ASP  36           HA       ASP  36   5.487   0.898  -9.991
  270   1HB   ASP  36          1HB       ASP  36   4.343  -1.718  -9.263
  271   2HB   ASP  36          2HB       ASP  36   3.222  -0.630 -10.075
  272    H    LEU  37           H        LEU  37   3.743   0.031  -7.035
  273    HA   LEU  37           HA       LEU  37   1.464   1.537  -7.231
  274   1HB   LEU  37          1HB       LEU  37   3.234   0.854  -4.924
  275   2HB   LEU  37          2HB       LEU  37   1.862   1.911  -4.674
  276    HG   LEU  37           HG       LEU  37   1.165  -0.544  -6.101
  277   1HD1  LEU  37          1HD1      LEU  37   2.509  -0.665  -3.435
  278   2HD1  LEU  37          2HD1      LEU  37   2.670  -1.742  -4.821
  279   3HD1  LEU  37          3HD1      LEU  37   1.214  -1.794  -3.830
  280   1HD2  LEU  37          1HD2      LEU  37  -0.802  -0.138  -5.140
  281   2HD2  LEU  37          2HD2      LEU  37  -0.104   1.392  -4.609
  282   3HD2  LEU  37          3HD2      LEU  37  -0.084  -0.007  -3.534
  283    H    GLY  38           H        GLY  38   4.667   2.639  -6.152
  284   1HA   GLY  38          1HA       GLY  38   5.305   4.880  -7.024
  285   2HA   GLY  38          2HA       GLY  38   3.702   5.399  -6.527
  286    H    LEU  39           H        LEU  39   3.521   4.226  -4.051
  287    HA   LEU  39           HA       LEU  39   4.424   6.029  -2.289
  288   1HB   LEU  39          1HB       LEU  39   4.801   3.505  -0.975
  289   2HB   LEU  39          2HB       LEU  39   3.543   4.699  -0.743
  290    HG   LEU  39           HG       LEU  39   2.341   3.632  -2.710
  291   1HD1  LEU  39          1HD1      LEU  39   3.865   2.332  -3.843
  292   2HD1  LEU  39          2HD1      LEU  39   3.060   1.121  -2.846
  293   3HD1  LEU  39          3HD1      LEU  39   4.634   1.756  -2.365
  294   1HD2  LEU  39          1HD2      LEU  39   2.568   1.560  -0.631
  295   2HD2  LEU  39          2HD2      LEU  39   1.146   2.377  -1.280
  296   3HD2  LEU  39          3HD2      LEU  39   2.158   3.186  -0.083
  297    H    LYS  40           H        LYS  40   6.338   6.899  -1.953
  298    HA   LYS  40           HA       LYS  40   8.772   5.510  -2.569
  299   1HB   LYS  40          1HB       LYS  40   8.002   8.164  -2.451
  300   2HB   LYS  40          2HB       LYS  40   9.057   7.994  -1.056
  301   1HG   LYS  40          1HG       LYS  40  10.135   6.768  -3.466
  302   2HG   LYS  40          2HG       LYS  40   9.862   8.505  -3.614
  303   1HD   LYS  40          1HD       LYS  40  11.103   8.790  -1.453
  304   2HD   LYS  40          2HD       LYS  40  11.526   7.080  -1.549
  305   1HE   LYS  40          1HE       LYS  40  13.312   7.730  -2.715
  306   2HE   LYS  40          2HE       LYS  40  12.194   8.032  -4.043
  307   1HZ   LYS  40          1HZ       LYS  40  12.568  10.198  -3.896
  308   2HZ   LYS  40          2HZ       LYS  40  13.800   9.876  -2.782
  309   3HZ   LYS  40          3HZ       LYS  40  12.237  10.222  -2.239
  310    H    ARG  41           H        ARG  41   7.982   7.300   0.413
  311    HA   ARG  41           HA       ARG  41   9.847   6.071   2.032
  312   1HB   ARG  41          1HB       ARG  41   7.132   7.136   2.831
  313   2HB   ARG  41          2HB       ARG  41   8.449   6.794   3.945
  314   1HG   ARG  41          1HG       ARG  41   8.413   8.875   1.769
  315   2HG   ARG  41          2HG       ARG  41   8.359   9.152   3.511
  316   1HD   ARG  41          1HD       ARG  41  10.624   7.552   3.005
  317   2HD   ARG  41          2HD       ARG  41  10.631   8.840   1.802
  318    HE   ARG  41           HE       ARG  41  11.210   9.097   4.564
  319   1HH1  ARG  41          1HH1      ARG  41   9.686  10.751   1.903
  320   2HH1  ARG  41          2HH1      ARG  41   9.968  12.331   2.557
  321   1HH2  ARG  41          1HH2      ARG  41  11.585  11.172   5.431
  322   2HH2  ARG  41          2HH2      ARG  41  11.048  12.569   4.561
  323    H    TYR  42           H        TYR  42   9.959   4.246   3.229
  324    HA   TYR  42           HA       TYR  42   8.216   2.088   2.527
  325   1HB   TYR  42          1HB       TYR  42   9.671   0.702   3.823
  326   2HB   TYR  42          2HB       TYR  42  10.687   1.871   2.985
  327    HD1  TYR  42           HD1      TYR  42   9.096   1.151   6.262
  328    HD2  TYR  42           HD2      TYR  42  12.151   3.259   4.182
  329    HE1  TYR  42           HE1      TYR  42  10.092   1.815   8.410
  330    HE2  TYR  42           HE2      TYR  42  13.155   3.929   6.323
  331    HH   TYR  42           HH       TYR  42  12.755   4.091   8.575
  332    H    CYS  43           H        CYS  43   8.256   4.444   5.027
  333    HA   CYS  43           HA       CYS  43   7.132   3.227   7.202
  334   1HB   CYS  43          1HB       CYS  43   5.973   5.410   7.630
  335   2HB   CYS  43          2HB       CYS  43   7.688   5.567   7.263
  336    H    CYS  44           H        CYS  44   5.669   3.880   4.124
  337    HA   CYS  44           HA       CYS  44   2.989   3.207   5.038
  338   1HB   CYS  44          1HB       CYS  44   3.750   3.492   2.149
  339   2HB   CYS  44          2HB       CYS  44   2.234   3.902   2.944
  340    H    ARG  45           H        ARG  45   5.279   1.954   2.608
  341    HA   ARG  45           HA       ARG  45   3.976  -0.335   1.877
  342   1HB   ARG  45          1HB       ARG  45   6.947  -0.335   2.340
  343   2HB   ARG  45          2HB       ARG  45   6.036  -1.179   1.096
  344   1HG   ARG  45          1HG       ARG  45   5.412   1.157   0.247
  345   2HG   ARG  45          2HG       ARG  45   6.741   1.724   1.259
  346   1HD   ARG  45          1HD       ARG  45   7.381  -0.576  -0.454
  347   2HD   ARG  45          2HD       ARG  45   6.999   0.911  -1.321
  348    HE   ARG  45           HE       ARG  45   8.949   1.844  -0.542
  349   1HH1  ARG  45          1HH1      ARG  45   8.315  -1.130   1.158
  350   2HH1  ARG  45          2HH1      ARG  45   9.873  -1.183   1.910
  351   1HH2  ARG  45          1HH2      ARG  45  11.004   1.783   0.444
  352   2HH2  ARG  45          2HH2      ARG  45  11.402   0.472   1.505
  353    H    ARG  46           H        ARG  46   6.425  -0.157   4.476
  354    HA   ARG  46           HA       ARG  46   6.478  -2.666   5.411
  355   1HB   ARG  46          1HB       ARG  46   6.817  -1.727   7.700
  356   2HB   ARG  46          2HB       ARG  46   7.786  -0.953   6.453
  357   1HG   ARG  46          1HG       ARG  46   6.991   1.015   7.053
  358   2HG   ARG  46          2HG       ARG  46   5.356   0.480   6.661
  359   1HD   ARG  46          1HD       ARG  46   4.808   0.212   8.816
  360   2HD   ARG  46          2HD       ARG  46   6.345  -0.559   9.203
  361    HE   ARG  46           HE       ARG  46   6.599   2.261   8.804
  362   1HH1  ARG  46          1HH1      ARG  46   5.715  -0.199  11.103
  363   2HH1  ARG  46          2HH1      ARG  46   6.077   0.779  12.486
  364   1HH2  ARG  46          1HH2      ARG  46   7.079   3.560  10.618
  365   2HH2  ARG  46          2HH2      ARG  46   6.852   2.916  12.210
  366    H    MET  47           H        MET  47   3.805  -0.434   5.883
  367    HA   MET  47           HA       MET  47   2.367  -2.328   7.561
  368   1HB   MET  47          1HB       MET  47   1.845   0.467   6.604
  369   2HB   MET  47          2HB       MET  47   0.524  -0.503   7.235
  370   1HG   MET  47          1HG       MET  47   1.265  -0.392   9.363
  371   2HG   MET  47          2HG       MET  47   2.962  -0.373   8.889
  372   1HE   MET  47          1HE       MET  47   1.020   2.329   6.832
  373   2HE   MET  47          2HE       MET  47   0.409   3.365   8.123
  374   3HE   MET  47          3HE       MET  47  -0.153   1.699   7.989
  375    H    LEU  48           H        LEU  48   2.284  -1.014   4.302
  376    HA   LEU  48           HA       LEU  48  -0.171  -2.247   3.585
  377   1HB   LEU  48          1HB       LEU  48   1.979  -1.242   1.727
  378   2HB   LEU  48          2HB       LEU  48   0.280  -1.468   1.354
  379    HG   LEU  48           HG       LEU  48   0.999   0.414   3.544
  380   1HD1  LEU  48          1HD1      LEU  48   1.963   1.971   2.269
  381   2HD1  LEU  48          2HD1      LEU  48   0.845   1.691   0.935
  382   3HD1  LEU  48          3HD1      LEU  48   2.268   0.666   1.121
  383   1HD2  LEU  48          1HD2      LEU  48  -1.242   0.474   3.382
  384   2HD2  LEU  48          2HD2      LEU  48  -1.244  -0.131   1.726
  385   3HD2  LEU  48          3HD2      LEU  48  -0.918   1.573   2.041
  386    H    ILE  49           H        ILE  49   3.092  -2.831   2.250
  387    HA   ILE  49           HA       ILE  49   2.686  -4.980   0.712
  388    HB   ILE  49           HB       ILE  49   4.942  -5.912   1.593
  389   1HG1  ILE  49          1HG1      ILE  49   5.556  -3.222   2.587
  390   2HG1  ILE  49          2HG1      ILE  49   4.468  -4.137   3.632
  391   1HG2  ILE  49          1HG2      ILE  49   6.119  -3.964   0.433
  392   2HG2  ILE  49          2HG2      ILE  49   4.507  -3.279   0.227
  393   3HG2  ILE  49          3HG2      ILE  49   4.897  -4.844  -0.486
  394   1HD1  ILE  49          1HD1      ILE  49   6.050  -5.828   3.976
  395   2HD1  ILE  49          2HD1      ILE  49   6.947  -4.315   4.105
  396   3HD1  ILE  49          3HD1      ILE  49   7.052  -5.279   2.632
  397    H    SER  50           H        SER  50   2.568  -5.067   4.207
  398    HA   SER  50           HA       SER  50   2.499  -7.945   4.319
  399   1HB   SER  50          1HB       SER  50   2.632  -5.737   6.224
  400   2HB   SER  50          2HB       SER  50   1.536  -7.015   6.753
  401    HG   SER  50           HG       SER  50   4.205  -7.440   5.883
  402    H    HIS  51           H        HIS  51   0.135  -5.748   5.800
  403    HA   HIS  51           HA       HIS  51  -1.962  -7.631   5.118
  404   1HB   HIS  51          1HB       HIS  51  -3.365  -6.005   6.541
  405   2HB   HIS  51          2HB       HIS  51  -2.129  -6.965   7.345
  406    HD2  HIS  51           HD2      HIS  51  -0.030  -5.563   8.454
  407    HE1  HIS  51           HE1      HIS  51  -1.589  -1.741   7.514
  408    HE2  HIS  51           HE2      HIS  51   0.189  -3.002   8.812
  409    H    VAL  52           H        VAL  52  -1.769  -4.063   4.948
  410    HA   VAL  52           HA       VAL  52  -2.967  -2.579   3.684
  411    HB   VAL  52           HB       VAL  52  -1.082  -3.212   2.209
  412   1HG1  VAL  52          1HG1      VAL  52  -1.555  -4.692   0.289
  413   2HG1  VAL  52          2HG1      VAL  52  -3.087  -5.128   1.044
  414   3HG1  VAL  52          3HG1      VAL  52  -1.566  -5.531   1.841
  415   1HG2  VAL  52          1HG2      VAL  52  -1.858  -2.014   0.398
  416   2HG2  VAL  52          2HG2      VAL  52  -2.998  -1.548   1.661
  417   3HG2  VAL  52          3HG2      VAL  52  -3.456  -2.755   0.459
  418    H    GLU  53           H        GLU  53  -4.557  -4.815   4.727
  419    HA   GLU  53           HA       GLU  53  -6.588  -5.829   4.472
  420   1HB   GLU  53          1HB       GLU  53  -6.798  -3.071   3.910
  421   2HB   GLU  53          2HB       GLU  53  -7.820  -3.892   2.740
  422   1HG   GLU  53          1HG       GLU  53  -8.694  -5.175   4.830
  423   2HG   GLU  53          2HG       GLU  53  -8.036  -3.793   5.706
  424    H    THR  54           H        THR  54  -6.258  -7.650   3.268
  425    HA   THR  54           HA       THR  54  -7.241  -7.592   0.550
  426    HB   THR  54           HB       THR  54  -5.156  -9.041  -0.128
  427    HG1  THR  54           HG1      THR  54  -3.258  -8.016   0.912
  428   1HG2  THR  54          1HG2      THR  54  -5.931  -6.381  -0.524
  429   2HG2  THR  54          2HG2      THR  54  -4.793  -7.318  -1.493
  430   3HG2  THR  54          3HG2      THR  54  -4.206  -6.320  -0.162
  431    H    TRP  55           H        TRP  55  -7.937  -9.605  -0.193
  432    HA   TRP  55           HA       TRP  55  -7.810 -11.793   1.777
  433   1HB   TRP  55          1HB       TRP  55 -10.063 -10.471   1.395
  434   2HB   TRP  55          2HB       TRP  55 -10.175 -11.497  -0.033
  435    HD1  TRP  55           HD1      TRP  55  -9.956 -11.796   3.812
  436    HE1  TRP  55           HE1      TRP  55 -11.051 -14.020   4.504
  437    HE3  TRP  55           HE3      TRP  55 -10.879 -13.728  -0.831
  438    HZ2  TRP  55           HZ2      TRP  55 -12.159 -16.293   3.248
  439    HZ3  TRP  55           HZ3      TRP  55 -11.959 -15.932  -0.998
  440    HH2  TRP  55           HH2      TRP  55 -12.585 -17.187   1.000
  Start of MODEL   10
    1    H    MET   1           H        MET   1  -7.602   5.089   0.424
    2    HA   MET   1           HA       MET   1  -6.147   3.467   2.129
    3   1HB   MET   1          1HB       MET   1  -4.592   5.288   2.349
    4   2HB   MET   1          2HB       MET   1  -5.218   5.289   0.706
    5   1HG   MET   1          1HG       MET   1  -6.423   7.217   1.017
    6   2HG   MET   1          2HG       MET   1  -6.524   7.001   2.763
    7   1HE   MET   1          1HE       MET   1  -2.710   7.123   3.451
    8   2HE   MET   1          2HE       MET   1  -4.276   6.447   3.900
    9   3HE   MET   1          3HE       MET   1  -3.839   8.077   4.413
   10    H    ILE   2           H        ILE   2  -5.400   3.867   4.317
   11    HA   ILE   2           HA       ILE   2  -7.539   4.168   6.133
   12    HB   ILE   2           HB       ILE   2  -4.566   3.999   6.543
   13   1HG1  ILE   2          1HG1      ILE   2  -5.221   1.761   7.497
   14   2HG1  ILE   2          2HG1      ILE   2  -6.860   2.076   6.933
   15   1HG2  ILE   2          1HG2      ILE   2  -6.593   3.834   8.754
   16   2HG2  ILE   2          2HG2      ILE   2  -5.663   5.290   8.399
   17   3HG2  ILE   2          3HG2      ILE   2  -4.834   3.812   8.886
   18   1HD1  ILE   2          1HD1      ILE   2  -5.420   0.630   5.459
   19   2HD1  ILE   2          2HD1      ILE   2  -4.493   2.086   5.093
   20   3HD1  ILE   2          3HD1      ILE   2  -6.206   2.003   4.679
   21    HA   PRO   3           HA       PRO   3  -7.404   8.590   6.665
   22   1HB   PRO   3          1HB       PRO   3  -9.242   8.843   8.535
   23   2HB   PRO   3          2HB       PRO   3  -9.698   8.085   6.999
   24   1HG   PRO   3          1HG       PRO   3  -8.820   6.741   9.565
   25   2HG   PRO   3          2HG       PRO   3 -10.326   6.468   8.647
   26   1HD   PRO   3          1HD       PRO   3  -8.143   4.908   8.324
   27   2HD   PRO   3          2HD       PRO   3  -9.221   5.298   6.969
   28    H    VAL   4           H        VAL   4  -5.240   7.224   7.973
   29    HA   VAL   4           HA       VAL   4  -4.700   9.045  10.118
   30    HB   VAL   4           HB       VAL   4  -5.902   6.392  10.577
   31   1HG1  VAL   4          1HG1      VAL   4  -4.738   6.309  12.890
   32   2HG1  VAL   4          2HG1      VAL   4  -3.474   7.276  12.130
   33   3HG1  VAL   4          3HG1      VAL   4  -3.859   5.674  11.498
   34   1HG2  VAL   4          1HG2      VAL   4  -6.031   7.958  12.878
   35   2HG2  VAL   4          2HG2      VAL   4  -7.267   7.776  11.634
   36   3HG2  VAL   4          3HG2      VAL   4  -6.106   9.099  11.535
   37    H    ARG   5           H        ARG   5  -3.765   5.661   9.565
   38    HA   ARG   5           HA       ARG   5  -1.065   6.021  10.086
   39   1HB   ARG   5          1HB       ARG   5  -2.748   3.908   9.415
   40   2HB   ARG   5          2HB       ARG   5  -1.539   3.923   8.134
   41   1HG   ARG   5          1HG       ARG   5  -0.712   2.473   9.787
   42   2HG   ARG   5          2HG       ARG   5   0.206   3.969   9.966
   43   1HD   ARG   5          1HD       ARG   5  -0.967   4.590  11.896
   44   2HD   ARG   5          2HD       ARG   5  -2.265   3.438  11.584
   45    HE   ARG   5           HE       ARG   5   0.125   2.942  13.021
   46   1HH1  ARG   5          1HH1      ARG   5  -2.094   1.458  10.784
   47   2HH1  ARG   5          2HH1      ARG   5  -1.754  -0.155  11.315
   48   1HH2  ARG   5          1HH2      ARG   5   0.580   0.821  13.729
   49   2HH2  ARG   5          2HH2      ARG   5  -0.235  -0.517  12.990
   50    H    CYS   6           H        CYS   6   0.656   5.350   8.381
   51    HA   CYS   6           HA       CYS   6   0.548   7.342   6.267
   52   1HB   CYS   6          1HB       CYS   6   2.572   6.406   7.939
   53   2HB   CYS   6          2HB       CYS   6   2.969   5.738   6.361
   54    H    LEU   7           H        LEU   7  -0.586   6.664   4.583
   55    HA   LEU   7           HA       LEU   7   0.369   4.281   3.180
   56   1HB   LEU   7          1HB       LEU   7  -2.521   5.055   3.522
   57   2HB   LEU   7          2HB       LEU   7  -1.941   3.732   2.532
   58    HG   LEU   7           HG       LEU   7  -2.714   2.656   4.432
   59   1HD1  LEU   7          1HD1      LEU   7  -0.903   1.513   5.026
   60   2HD1  LEU   7          2HD1      LEU   7  -0.168   2.917   5.787
   61   3HD1  LEU   7          3HD1      LEU   7   0.028   2.650   4.057
   62   1HD2  LEU   7          1HD2      LEU   7  -3.032   4.890   5.599
   63   2HD2  LEU   7          2HD2      LEU   7  -1.409   4.653   6.244
   64   3HD2  LEU   7          3HD2      LEU   7  -2.682   3.493   6.617
   65    H    SER   8           H        SER   8   1.173   6.869   2.773
   66    HA   SER   8           HA       SER   8   0.514   7.277   0.023
   67   1HB   SER   8          1HB       SER   8  -1.413   8.427   0.854
   68   2HB   SER   8          2HB       SER   8  -0.472   9.246   2.094
   69    HG   SER   8           HG       SER   8   0.274   9.651  -0.562
   70    H    CYS   9           H        CYS   9   1.395   9.684   2.444
   71    HA   CYS   9           HA       CYS   9   3.362  10.723   2.953
   72   1HB   CYS   9          1HB       CYS   9   4.227   8.192   1.954
   73   2HB   CYS   9          2HB       CYS   9   5.293   9.434   1.306
   74    H    GLY  10           H        GLY  10   1.670  11.201   0.479
   75   1HA   GLY  10          1HA       GLY  10   2.246  13.466  -0.532
   76   2HA   GLY  10          2HA       GLY  10   3.687  12.647  -1.116
   77    H    LYS  11           H        LYS  11   2.003  10.166  -1.504
   78    HA   LYS  11           HA       LYS  11   0.490  11.016  -3.873
   79   1HB   LYS  11          1HB       LYS  11   2.935   9.446  -3.774
   80   2HB   LYS  11          2HB       LYS  11   1.636   8.584  -4.590
   81   1HG   LYS  11          1HG       LYS  11   2.750   9.736  -6.287
   82   2HG   LYS  11          2HG       LYS  11   1.320  10.718  -5.955
   83   1HD   LYS  11          1HD       LYS  11   3.006  11.854  -4.238
   84   2HD   LYS  11          2HD       LYS  11   4.181  11.277  -5.416
   85   1HE   LYS  11          1HE       LYS  11   1.765  12.728  -6.383
   86   2HE   LYS  11          2HE       LYS  11   3.075  13.653  -5.649
   87   1HZ   LYS  11          1HZ       LYS  11   2.931  12.495  -8.239
   88   2HZ   LYS  11          2HZ       LYS  11   4.293  11.930  -7.411
   89   3HZ   LYS  11          3HZ       LYS  11   4.060  13.592  -7.619
   90    HA   PRO  12           HA       PRO  12  -2.626   8.338  -2.219
   91   1HB   PRO  12          1HB       PRO  12  -3.955   7.771  -4.545
   92   2HB   PRO  12          2HB       PRO  12  -4.149   9.276  -3.640
   93   1HG   PRO  12          1HG       PRO  12  -2.468   8.717  -6.053
   94   2HG   PRO  12          2HG       PRO  12  -3.476  10.131  -5.695
   95   1HD   PRO  12          1HD       PRO  12  -0.805  10.184  -5.383
   96   2HD   PRO  12          2HD       PRO  12  -1.891  11.060  -4.284
   97    H    VAL  13           H        VAL  13  -2.726   6.219  -1.784
   98    HA   VAL  13           HA       VAL  13  -1.190   4.401  -3.505
   99    HB   VAL  13           HB       VAL  13  -0.903   2.957  -1.619
  100   1HG1  VAL  13          1HG1      VAL  13   0.721   4.638  -1.578
  101   2HG1  VAL  13          2HG1      VAL  13   0.091   4.612   0.072
  102   3HG1  VAL  13          3HG1      VAL  13  -0.432   5.866  -1.054
  103   1HG2  VAL  13          1HG2      VAL  13  -1.893   3.391   0.564
  104   2HG2  VAL  13          2HG2      VAL  13  -3.153   3.198  -0.655
  105   3HG2  VAL  13          3HG2      VAL  13  -2.726   4.807  -0.079
  106    H    SER  14           H        SER  14  -4.365   5.111  -2.373
  107    HA   SER  14           HA       SER  14  -5.602   2.613  -2.580
  108   1HB   SER  14          1HB       SER  14  -7.089   5.059  -3.443
  109   2HB   SER  14          2HB       SER  14  -7.601   3.750  -2.373
  110    HG   SER  14           HG       SER  14  -6.567   6.115  -1.718
  111    H    ALA  15           H        ALA  15  -5.063   5.118  -5.035
  112    HA   ALA  15           HA       ALA  15  -6.466   3.866  -7.123
  113   1HB   ALA  15          1HB       ALA  15  -4.615   5.246  -8.485
  114   2HB   ALA  15          2HB       ALA  15  -4.465   6.026  -6.910
  115   3HB   ALA  15          3HB       ALA  15  -6.023   5.995  -7.735
  116    H    TYR  16           H        TYR  16  -3.191   3.484  -5.922
  117    HA   TYR  16           HA       TYR  16  -2.442   1.730  -8.099
  118   1HB   TYR  16          1HB       TYR  16  -1.068   2.998  -5.786
  119   2HB   TYR  16          2HB       TYR  16  -0.387   1.504  -6.413
  120    HD1  TYR  16           HD1      TYR  16  -0.616   5.039  -6.848
  121    HD2  TYR  16           HD2      TYR  16   0.157   1.400  -8.914
  122    HE1  TYR  16           HE1      TYR  16   0.503   6.300  -8.638
  123    HE2  TYR  16           HE2      TYR  16   1.279   2.652 -10.710
  124    HH   TYR  16           HH       TYR  16   1.217   6.140 -10.838
  125    H    PHE  17           H        PHE  17  -3.672   1.495  -4.871
  126    HA   PHE  17           HA       PHE  17  -2.864  -0.939  -3.954
  127   1HB   PHE  17          1HB       PHE  17  -5.435   0.548  -3.767
  128   2HB   PHE  17          2HB       PHE  17  -5.440  -1.132  -3.253
  129    HD1  PHE  17           HD1      PHE  17  -6.142  -0.089  -1.054
  130    HD2  PHE  17           HD2      PHE  17  -2.282   0.484  -2.757
  131    HE1  PHE  17           HE1      PHE  17  -5.274   0.580   1.147
  132    HE2  PHE  17           HE2      PHE  17  -1.410   1.155  -0.556
  133    HZ   PHE  17           HZ       PHE  17  -2.907   1.204   1.398
  134    H    ASN  18           H        ASN  18  -5.090  -0.315  -6.588
  135    HA   ASN  18           HA       ASN  18  -6.162  -2.875  -6.922
  136   1HB   ASN  18          1HB       ASN  18  -5.723  -0.528  -8.716
  137   2HB   ASN  18          2HB       ASN  18  -6.155  -2.068  -9.452
  138   1HD2  ASN  18          1HD2      ASN  18  -8.024  -0.692 -10.095
  139   2HD2  ASN  18          2HD2      ASN  18  -9.383  -0.646  -9.021
  140    H    GLU  19           H        GLU  19  -3.119  -1.471  -8.007
  141    HA   GLU  19           HA       GLU  19  -2.299  -3.589  -9.679
  142   1HB   GLU  19          1HB       GLU  19  -1.295  -1.139  -9.129
  143   2HB   GLU  19          2HB       GLU  19  -0.218  -2.125  -8.153
  144   1HG   GLU  19          1HG       GLU  19   0.825  -1.834 -10.248
  145   2HG   GLU  19          2HG       GLU  19   0.235  -3.494 -10.199
  146    H    TYR  20           H        TYR  20  -1.604  -2.869  -6.275
  147    HA   TYR  20           HA       TYR  20  -0.028  -5.080  -5.672
  148   1HB   TYR  20          1HB       TYR  20  -0.219  -3.331  -4.062
  149   2HB   TYR  20          2HB       TYR  20  -1.968  -3.476  -4.003
  150    HD1  TYR  20           HD1      TYR  20  -3.015  -5.379  -2.825
  151    HD2  TYR  20           HD2      TYR  20   1.189  -4.735  -2.724
  152    HE1  TYR  20           HE1      TYR  20  -2.837  -6.886  -0.891
  153    HE2  TYR  20           HE2      TYR  20   1.380  -6.240  -0.789
  154    HH   TYR  20           HH       TYR  20  -1.018  -8.342   0.147
  155    H    GLN  21           H        GLN  21  -3.543  -4.694  -5.470
  156    HA   GLN  21           HA       GLN  21  -4.204  -7.209  -4.498
  157   1HB   GLN  21          1HB       GLN  21  -5.829  -5.392  -4.692
  158   2HB   GLN  21          2HB       GLN  21  -5.746  -5.485  -6.447
  159   1HG   GLN  21          1HG       GLN  21  -7.115  -7.257  -6.548
  160   2HG   GLN  21          2HG       GLN  21  -6.431  -8.003  -5.105
  161   1HE2  GLN  21          1HE2      GLN  21  -7.752  -4.760  -5.351
  162   2HE2  GLN  21          2HE2      GLN  21  -9.085  -5.021  -4.283
  163    H    ARG  22           H        ARG  22  -4.410  -6.216  -7.923
  164    HA   ARG  22           HA       ARG  22  -4.830  -8.683  -9.062
  165   1HB   ARG  22          1HB       ARG  22  -3.304  -6.283 -10.054
  166   2HB   ARG  22          2HB       ARG  22  -3.534  -7.709 -11.057
  167   1HG   ARG  22          1HG       ARG  22  -6.078  -7.175 -10.180
  168   2HG   ARG  22          2HG       ARG  22  -5.388  -5.566 -10.407
  169   1HD   ARG  22          1HD       ARG  22  -4.542  -6.592 -12.667
  170   2HD   ARG  22          2HD       ARG  22  -5.861  -7.733 -12.401
  171    HE   ARG  22           HE       ARG  22  -7.322  -6.090 -12.998
  172   1HH1  ARG  22          1HH1      ARG  22  -4.318  -4.608 -12.046
  173   2HH1  ARG  22          2HH1      ARG  22  -4.818  -3.009 -12.484
  174   1HH2  ARG  22          1HH2      ARG  22  -7.991  -3.988 -13.579
  175   2HH2  ARG  22          2HH2      ARG  22  -6.906  -2.657 -13.356
  176    H    ARG  23           H        ARG  23  -1.705  -7.137  -8.408
  177    HA   ARG  23           HA       ARG  23  -0.054  -9.168  -9.360
  178   1HB   ARG  23          1HB       ARG  23   0.262  -6.902  -7.500
  179   2HB   ARG  23          2HB       ARG  23   1.507  -8.149  -7.496
  180   1HG   ARG  23          1HG       ARG  23   0.725  -7.445 -10.165
  181   2HG   ARG  23          2HG       ARG  23   1.274  -6.047  -9.261
  182   1HD   ARG  23          1HD       ARG  23   3.141  -7.916  -8.610
  183   2HD   ARG  23          2HD       ARG  23   2.718  -8.363 -10.264
  184    HE   ARG  23           HE       ARG  23   3.292  -5.561  -9.885
  185   1HH1  ARG  23          1HH1      ARG  23   4.593  -8.700 -10.654
  186   2HH1  ARG  23          2HH1      ARG  23   5.973  -8.067 -11.485
  187   1HH2  ARG  23          1HH2      ARG  23   5.109  -4.718 -10.977
  188   2HH2  ARG  23          2HH2      ARG  23   6.267  -5.804 -11.669
  189    H    VAL  24           H        VAL  24  -0.728  -8.474  -5.924
  190    HA   VAL  24           HA       VAL  24   0.271 -10.855  -4.892
  191    HB   VAL  24           HB       VAL  24  -2.058  -9.328  -3.729
  192   1HG1  VAL  24          1HG1      VAL  24  -1.007 -11.640  -2.855
  193   2HG1  VAL  24          2HG1      VAL  24  -1.685 -10.415  -1.784
  194   3HG1  VAL  24          3HG1      VAL  24   0.058 -10.498  -2.037
  195   1HG2  VAL  24          1HG2      VAL  24   0.433  -8.567  -2.574
  196   2HG2  VAL  24          2HG2      VAL  24  -0.755  -7.562  -3.406
  197   3HG2  VAL  24          3HG2      VAL  24   0.528  -8.353  -4.322
  198    H    ALA  25           H        ALA  25  -2.717 -10.197  -6.509
  199    HA   ALA  25           HA       ALA  25  -4.247 -12.372  -5.561
  200   1HB   ALA  25          1HB       ALA  25  -4.435 -10.962  -8.221
  201   2HB   ALA  25          2HB       ALA  25  -5.220 -10.445  -6.729
  202   3HB   ALA  25          3HB       ALA  25  -5.679 -11.971  -7.482
  203    H    ASP  26           H        ASP  26  -2.561 -11.991  -8.686
  204    HA   ASP  26           HA       ASP  26  -2.822 -14.747  -9.357
  205   1HB   ASP  26          1HB       ASP  26  -2.551 -12.878 -11.013
  206   2HB   ASP  26          2HB       ASP  26  -0.869 -12.746 -10.509
  207    H    GLY  27           H        GLY  27  -0.662 -13.026  -7.340
  208   1HA   GLY  27          1HA       GLY  27   0.744 -14.315  -5.850
  209   2HA   GLY  27          2HA       GLY  27   1.057 -15.415  -7.186
  210    H    GLU  28           H        GLU  28   1.023 -11.982  -7.702
  211    HA   GLU  28           HA       GLU  28   3.811 -12.090  -8.484
  212   1HB   GLU  28          1HB       GLU  28   1.990  -9.680  -8.630
  213   2HB   GLU  28          2HB       GLU  28   3.452 -10.004  -9.552
  214   1HG   GLU  28          1HG       GLU  28   2.028 -12.108 -10.326
  215   2HG   GLU  28          2HG       GLU  28   0.703 -11.011  -9.940
  216    H    ASP  29           H        ASP  29   5.475 -11.163  -7.453
  217    HA   ASP  29           HA       ASP  29   5.485 -10.733  -4.758
  218   1HB   ASP  29          1HB       ASP  29   7.320 -10.332  -6.937
  219   2HB   ASP  29          2HB       ASP  29   7.472  -9.013  -5.779
  220    HA   PRO  30           HA       PRO  30   3.209  -6.854  -4.482
  221   1HB   PRO  30          1HB       PRO  30   3.949  -6.988  -1.640
  222   2HB   PRO  30          2HB       PRO  30   2.349  -6.951  -2.383
  223   1HG   PRO  30          1HG       PRO  30   3.326  -9.176  -1.229
  224   2HG   PRO  30          2HG       PRO  30   2.265  -9.237  -2.647
  225   1HD   PRO  30          1HD       PRO  30   5.234  -9.560  -2.484
  226   2HD   PRO  30          2HD       PRO  30   4.056 -10.440  -3.480
  227    H    LYS  31           H        LYS  31   6.235  -7.384  -2.670
  228    HA   LYS  31           HA       LYS  31   7.013  -4.799  -2.195
  229   1HB   LYS  31          1HB       LYS  31   8.268  -7.348  -2.240
  230   2HB   LYS  31          2HB       LYS  31   9.314  -6.219  -3.087
  231   1HG   LYS  31          1HG       LYS  31   9.614  -4.885  -1.214
  232   2HG   LYS  31          2HG       LYS  31   8.168  -5.513  -0.417
  233   1HD   LYS  31          1HD       LYS  31  10.189  -6.378   0.640
  234   2HD   LYS  31          2HD       LYS  31   9.274  -7.679  -0.126
  235   1HE   LYS  31          1HE       LYS  31  11.398  -6.336  -1.712
  236   2HE   LYS  31          2HE       LYS  31  11.893  -7.441  -0.433
  237   1HZ   LYS  31          1HZ       LYS  31  10.249  -9.048  -1.519
  238   2HZ   LYS  31          2HZ       LYS  31  11.726  -8.782  -2.301
  239   3HZ   LYS  31          3HZ       LYS  31  10.322  -8.022  -2.863
  240    H    ASP  32           H        ASP  32   7.286  -6.633  -5.191
  241    HA   ASP  32           HA       ASP  32   8.686  -4.639  -6.662
  242   1HB   ASP  32          1HB       ASP  32   7.803  -7.258  -7.135
  243   2HB   ASP  32          2HB       ASP  32   6.920  -6.266  -8.292
  244    H    VAL  33           H        VAL  33   5.287  -5.469  -6.191
  245    HA   VAL  33           HA       VAL  33   4.112  -3.632  -7.926
  246    HB   VAL  33           HB       VAL  33   3.063  -4.468  -5.216
  247   1HG1  VAL  33          1HG1      VAL  33   1.026  -4.043  -7.150
  248   2HG1  VAL  33          2HG1      VAL  33   2.079  -2.628  -7.133
  249   3HG1  VAL  33          3HG1      VAL  33   1.313  -3.174  -5.642
  250   1HG2  VAL  33          1HG2      VAL  33   1.784  -6.163  -6.516
  251   2HG2  VAL  33          2HG2      VAL  33   3.527  -6.441  -6.497
  252   3HG2  VAL  33          3HG2      VAL  33   2.759  -5.748  -7.925
  253    H    LEU  34           H        LEU  34   5.134  -3.278  -4.546
  254    HA   LEU  34           HA       LEU  34   4.251  -0.729  -4.010
  255   1HB   LEU  34          1HB       LEU  34   6.666  -2.257  -3.130
  256   2HB   LEU  34          2HB       LEU  34   6.470  -0.589  -2.642
  257    HG   LEU  34           HG       LEU  34   5.671  -2.352  -0.999
  258   1HD1  LEU  34          1HD1      LEU  34   4.750   0.190  -1.576
  259   2HD1  LEU  34          2HD1      LEU  34   4.448  -0.727  -0.101
  260   3HD1  LEU  34          3HD1      LEU  34   3.281  -0.775  -1.422
  261   1HD2  LEU  34          1HD2      LEU  34   3.286  -3.074  -1.470
  262   2HD2  LEU  34          2HD2      LEU  34   4.559  -3.911  -2.354
  263   3HD2  LEU  34          3HD2      LEU  34   3.606  -2.659  -3.151
  264    H    ASP  35           H        ASP  35   7.213  -1.709  -5.678
  265    HA   ASP  35           HA       ASP  35   8.333   0.816  -6.053
  266   1HB   ASP  35          1HB       ASP  35   9.222  -1.583  -6.661
  267   2HB   ASP  35          2HB       ASP  35   8.479  -1.249  -8.223
  268    H    ASP  36           H        ASP  36   5.721  -0.836  -7.656
  269    HA   ASP  36           HA       ASP  36   5.465   1.186  -9.725
  270   1HB   ASP  36          1HB       ASP  36   4.489  -1.508  -9.288
  271   2HB   ASP  36          2HB       ASP  36   3.173  -0.430  -9.743
  272    H    LEU  37           H        LEU  37   3.754   0.133  -6.811
  273    HA   LEU  37           HA       LEU  37   1.473   1.674  -6.925
  274   1HB   LEU  37          1HB       LEU  37   3.196   0.756  -4.656
  275   2HB   LEU  37          2HB       LEU  37   1.847   1.824  -4.337
  276    HG   LEU  37           HG       LEU  37   1.085  -0.471  -5.970
  277   1HD1  LEU  37          1HD1      LEU  37   2.564  -1.827  -4.821
  278   2HD1  LEU  37          2HD1      LEU  37   1.110  -1.934  -3.833
  279   3HD1  LEU  37          3HD1      LEU  37   2.437  -0.885  -3.337
  280   1HD2  LEU  37          1HD2      LEU  37  -0.215   1.328  -4.488
  281   2HD2  LEU  37          2HD2      LEU  37  -0.037   0.050  -3.285
  282   3HD2  LEU  37          3HD2      LEU  37  -0.851  -0.286  -4.813
  283    H    GLY  38           H        GLY  38   4.735   2.611  -6.002
  284   1HA   GLY  38          1HA       GLY  38   5.725   4.671  -5.890
  285   2HA   GLY  38          2HA       GLY  38   4.310   5.325  -6.699
  286    H    LEU  39           H        LEU  39   5.162   3.976  -3.509
  287    HA   LEU  39           HA       LEU  39   3.454   6.014  -2.278
  288   1HB   LEU  39          1HB       LEU  39   4.708   3.669  -0.878
  289   2HB   LEU  39          2HB       LEU  39   3.319   4.618  -0.381
  290    HG   LEU  39           HG       LEU  39   2.283   3.691  -2.611
  291   1HD1  LEU  39          1HD1      LEU  39   4.680   2.034  -2.198
  292   2HD1  LEU  39          2HD1      LEU  39   3.772   2.378  -3.670
  293   3HD1  LEU  39          3HD1      LEU  39   3.185   1.159  -2.538
  294   1HD2  LEU  39          1HD2      LEU  39   2.542   1.800  -0.308
  295   2HD2  LEU  39          2HD2      LEU  39   1.151   2.078  -1.357
  296   3HD2  LEU  39          3HD2      LEU  39   1.629   3.303  -0.181
  297    H    LYS  40           H        LYS  40   6.196   6.449  -3.346
  298    HA   LYS  40           HA       LYS  40   8.111   7.537  -2.819
  299   1HB   LYS  40          1HB       LYS  40   6.588   9.283  -2.192
  300   2HB   LYS  40          2HB       LYS  40   6.312   8.548  -0.619
  301   1HG   LYS  40          1HG       LYS  40   7.762  10.315  -0.184
  302   2HG   LYS  40          2HG       LYS  40   8.814   8.899  -0.221
  303   1HD   LYS  40          1HD       LYS  40   9.520   9.417  -2.463
  304   2HD   LYS  40          2HD       LYS  40   8.359  10.742  -2.563
  305   1HE   LYS  40          1HE       LYS  40  10.270  10.839  -0.313
  306   2HE   LYS  40          2HE       LYS  40  10.946  11.081  -1.924
  307   1HZ   LYS  40          1HZ       LYS  40   8.533  12.573  -1.207
  308   2HZ   LYS  40          2HZ       LYS  40   9.817  13.018  -2.212
  309   3HZ   LYS  40          3HZ       LYS  40  10.001  13.072  -0.532
  310    H    ARG  41           H        ARG  41   7.264   7.384   0.601
  311    HA   ARG  41           HA       ARG  41   9.816   6.169   1.152
  312   1HB   ARG  41          1HB       ARG  41   7.602   7.298   2.832
  313   2HB   ARG  41          2HB       ARG  41   8.866   6.330   3.576
  314   1HG   ARG  41          1HG       ARG  41  10.495   7.895   3.181
  315   2HG   ARG  41          2HG       ARG  41   9.638   8.599   1.809
  316   1HD   ARG  41          1HD       ARG  41   8.158   9.775   3.193
  317   2HD   ARG  41          2HD       ARG  41   8.560   8.795   4.602
  318    HE   ARG  41           HE       ARG  41  10.906   9.994   4.001
  319   1HH1  ARG  41          1HH1      ARG  41   7.674  11.187   4.503
  320   2HH1  ARG  41          2HH1      ARG  41   8.196  12.718   5.123
  321   1HH2  ARG  41          1HH2      ARG  41  11.606  12.006   4.817
  322   2HH2  ARG  41          2HH2      ARG  41  10.432  13.184   5.302
  323    H    TYR  42           H        TYR  42   9.708   4.532   3.120
  324    HA   TYR  42           HA       TYR  42   8.111   2.275   2.149
  325   1HB   TYR  42          1HB       TYR  42   9.715   0.835   3.241
  326   2HB   TYR  42          2HB       TYR  42  10.586   2.010   2.262
  327    HD1  TYR  42           HD1      TYR  42  12.354   3.167   3.206
  328    HD2  TYR  42           HD2      TYR  42   9.397   1.489   5.762
  329    HE1  TYR  42           HE1      TYR  42  13.686   3.824   5.167
  330    HE2  TYR  42           HE2      TYR  42  10.719   2.141   7.730
  331    HH   TYR  42           HH       TYR  42  13.139   4.341   7.674
  332    H    CYS  43           H        CYS  43   8.451   4.436   4.806
  333    HA   CYS  43           HA       CYS  43   7.568   3.002   6.973
  334   1HB   CYS  43          1HB       CYS  43   6.741   5.072   7.897
  335   2HB   CYS  43          2HB       CYS  43   8.218   5.406   7.000
  336    H    CYS  44           H        CYS  44   5.808   3.937   4.145
  337    HA   CYS  44           HA       CYS  44   3.215   3.233   5.268
  338   1HB   CYS  44          1HB       CYS  44   3.567   3.621   2.338
  339   2HB   CYS  44          2HB       CYS  44   2.279   4.185   3.397
  340    H    ARG  45           H        ARG  45   5.406   2.058   2.743
  341    HA   ARG  45           HA       ARG  45   4.026  -0.119   1.829
  342   1HB   ARG  45          1HB       ARG  45   7.001  -0.107   2.342
  343   2HB   ARG  45          2HB       ARG  45   6.137  -1.061   1.145
  344   1HG   ARG  45          1HG       ARG  45   5.483   1.044   0.013
  345   2HG   ARG  45          2HG       ARG  45   6.491   1.927   1.156
  346   1HD   ARG  45          1HD       ARG  45   8.445   0.643   0.404
  347   2HD   ARG  45          2HD       ARG  45   7.428  -0.196  -0.766
  348    HE   ARG  45           HE       ARG  45   7.328   2.651  -1.050
  349   1HH1  ARG  45          1HH1      ARG  45   9.138  -0.216  -1.844
  350   2HH1  ARG  45          2HH1      ARG  45   9.853   0.471  -3.263
  351   1HH2  ARG  45          1HH2      ARG  45   8.266   3.567  -2.920
  352   2HH2  ARG  45          2HH2      ARG  45   9.358   2.622  -3.875
  353    H    ARG  46           H        ARG  46   6.495  -0.294   4.404
  354    HA   ARG  46           HA       ARG  46   6.388  -2.866   5.136
  355   1HB   ARG  46          1HB       ARG  46   7.005  -2.240   7.380
  356   2HB   ARG  46          2HB       ARG  46   7.761  -1.128   6.248
  357   1HG   ARG  46          1HG       ARG  46   5.866   0.461   6.716
  358   2HG   ARG  46          2HG       ARG  46   5.387  -0.627   8.020
  359   1HD   ARG  46          1HD       ARG  46   8.172  -0.158   8.263
  360   2HD   ARG  46          2HD       ARG  46   7.383   1.401   8.040
  361    HE   ARG  46           HE       ARG  46   7.152  -0.360  10.315
  362   1HH1  ARG  46          1HH1      ARG  46   5.765   2.319   8.570
  363   2HH1  ARG  46          2HH1      ARG  46   4.895   2.926   9.940
  364   1HH2  ARG  46          1HH2      ARG  46   6.009   0.432  12.122
  365   2HH2  ARG  46          2HH2      ARG  46   5.033   1.855  11.956
  366    H    MET  47           H        MET  47   3.935  -0.478   6.010
  367    HA   MET  47           HA       MET  47   2.478  -2.373   7.618
  368   1HB   MET  47          1HB       MET  47   1.871   0.437   6.710
  369   2HB   MET  47          2HB       MET  47   0.764  -0.511   7.692
  370   1HG   MET  47          1HG       MET  47   1.978  -0.244   9.562
  371   2HG   MET  47          2HG       MET  47   3.517  -0.321   8.705
  372   1HE   MET  47          1HE       MET  47   0.950   3.451   8.250
  373   2HE   MET  47          2HE       MET  47   0.358   1.792   8.256
  374   3HE   MET  47          3HE       MET  47   1.327   2.378   6.904
  375    H    LEU  48           H        LEU  48   2.367  -1.175   4.342
  376    HA   LEU  48           HA       LEU  48  -0.268  -2.212   3.840
  377   1HB   LEU  48          1HB       LEU  48   1.758  -1.305   1.804
  378   2HB   LEU  48          2HB       LEU  48   0.023  -1.437   1.591
  379    HG   LEU  48           HG       LEU  48   1.008   0.399   3.705
  380   1HD1  LEU  48          1HD1      LEU  48   1.258   0.879   0.756
  381   2HD1  LEU  48          2HD1      LEU  48   2.498   1.056   1.997
  382   3HD1  LEU  48          3HD1      LEU  48   1.152   2.192   1.928
  383   1HD2  LEU  48          1HD2      LEU  48  -1.295   0.227   1.809
  384   2HD2  LEU  48          2HD2      LEU  48  -0.896   1.742   2.618
  385   3HD2  LEU  48          3HD2      LEU  48  -1.306   0.314   3.570
  386    H    ILE  49           H        ILE  49   2.887  -2.921   2.331
  387    HA   ILE  49           HA       ILE  49   2.289  -5.093   0.849
  388    HB   ILE  49           HB       ILE  49   4.619  -6.023   1.633
  389   1HG1  ILE  49          1HG1      ILE  49   5.320  -3.252   2.296
  390   2HG1  ILE  49          2HG1      ILE  49   4.319  -4.039   3.516
  391   1HG2  ILE  49          1HG2      ILE  49   5.640  -4.732  -0.035
  392   2HG2  ILE  49          2HG2      ILE  49   4.578  -3.355   0.258
  393   3HG2  ILE  49          3HG2      ILE  49   3.942  -4.814  -0.503
  394   1HD1  ILE  49          1HD1      ILE  49   6.119  -5.030   4.316
  395   2HD1  ILE  49          2HD1      ILE  49   7.104  -4.313   3.041
  396   3HD1  ILE  49          3HD1      ILE  49   6.326  -5.875   2.782
  397    H    SER  50           H        SER  50   2.436  -5.016   4.329
  398    HA   SER  50           HA       SER  50   2.271  -7.894   4.571
  399   1HB   SER  50          1HB       SER  50   1.736  -6.162   6.928
  400   2HB   SER  50          2HB       SER  50   2.759  -7.593   6.785
  401    HG   SER  50           HG       SER  50   4.326  -6.197   6.742
  402    H    HIS  51           H        HIS  51   0.266  -5.356   6.049
  403    HA   HIS  51           HA       HIS  51  -2.005  -7.153   6.053
  404   1HB   HIS  51          1HB       HIS  51  -1.592  -4.387   7.188
  405   2HB   HIS  51          2HB       HIS  51  -3.067  -5.333   7.398
  406    HD2  HIS  51           HD2      HIS  51   0.511  -5.030   8.776
  407    HE1  HIS  51           HE1      HIS  51  -1.458  -8.146  10.859
  408    HE2  HIS  51           HE2      HIS  51   0.617  -6.687  10.773
  409    H    VAL  52           H        VAL  52  -1.765  -3.688   5.316
  410    HA   VAL  52           HA       VAL  52  -3.152  -2.368   4.060
  411    HB   VAL  52           HB       VAL  52  -1.367  -2.957   2.491
  412   1HG1  VAL  52          1HG1      VAL  52  -3.173  -4.973   1.215
  413   2HG1  VAL  52          2HG1      VAL  52  -2.008  -5.436   2.453
  414   3HG1  VAL  52          3HG1      VAL  52  -1.454  -4.695   0.957
  415   1HG2  VAL  52          1HG2      VAL  52  -2.587  -2.369   0.428
  416   2HG2  VAL  52          2HG2      VAL  52  -3.032  -1.364   1.810
  417   3HG2  VAL  52          3HG2      VAL  52  -4.104  -2.662   1.278
  418    H    GLU  53           H        GLU  53  -5.038  -3.181   5.293
  419    HA   GLU  53           HA       GLU  53  -6.764  -5.173   4.616
  420   1HB   GLU  53          1HB       GLU  53  -7.056  -2.517   5.866
  421   2HB   GLU  53          2HB       GLU  53  -8.540  -3.199   5.214
  422   1HG   GLU  53          1HG       GLU  53  -8.533  -4.970   6.678
  423   2HG   GLU  53          2HG       GLU  53  -6.798  -4.864   6.967
  424    H    THR  54           H        THR  54  -7.517  -5.742   2.687
  425    HA   THR  54           HA       THR  54  -8.375  -3.622   0.828
  426    HB   THR  54           HB       THR  54  -8.137  -5.506  -0.922
  427    HG1  THR  54           HG1      THR  54  -7.749  -7.078   0.900
  428   1HG2  THR  54          1HG2      THR  54  -5.404  -4.981  -0.116
  429   2HG2  THR  54          2HG2      THR  54  -6.406  -3.534  -0.006
  430   3HG2  THR  54          3HG2      THR  54  -6.290  -4.412  -1.531
  431    H    TRP  55           H        TRP  55 -10.062  -4.581   2.897
  432    HA   TRP  55           HA       TRP  55 -11.914  -6.444   1.652
  433   1HB   TRP  55          1HB       TRP  55 -11.308  -6.440   4.136
  434   2HB   TRP  55          2HB       TRP  55 -12.303  -4.994   4.270
  435    HD1  TRP  55           HD1      TRP  55 -14.838  -5.350   4.603
  436    HE1  TRP  55           HE1      TRP  55 -16.402  -7.393   4.591
  437    HE3  TRP  55           HE3      TRP  55 -11.559  -8.875   2.880
  438    HZ2  TRP  55           HZ2      TRP  55 -16.266 -10.135   3.938
  439    HZ3  TRP  55           HZ3      TRP  55 -12.355 -11.184   2.590
  440    HH2  TRP  55           HH2      TRP  55 -14.661 -11.800   3.108
  Start of MODEL   11
    1    H    MET   1           H        MET   1  -6.813   3.666   0.193
    2    HA   MET   1           HA       MET   1  -5.018   2.625   2.121
    3   1HB   MET   1          1HB       MET   1  -3.921   4.727   2.025
    4   2HB   MET   1          2HB       MET   1  -4.532   4.426   0.409
    5   1HG   MET   1          1HG       MET   1  -5.836   6.224   0.432
    6   2HG   MET   1          2HG       MET   1  -6.397   5.925   2.073
    7   1HE   MET   1          1HE       MET   1  -4.408   7.228   4.418
    8   2HE   MET   1          2HE       MET   1  -2.871   6.749   3.704
    9   3HE   MET   1          3HE       MET   1  -4.232   5.628   3.700
   10    H    ILE   2           H        ILE   2  -4.809   3.046   4.317
   11    HA   ILE   2           HA       ILE   2  -7.283   3.704   5.649
   12    HB   ILE   2           HB       ILE   2  -4.634   2.865   6.801
   13   1HG1  ILE   2          1HG1      ILE   2  -6.954   1.071   6.953
   14   2HG1  ILE   2          2HG1      ILE   2  -6.358   1.362   5.320
   15   1HG2  ILE   2          1HG2      ILE   2  -5.664   2.581   8.892
   16   2HG2  ILE   2          2HG2      ILE   2  -7.274   2.843   8.221
   17   3HG2  ILE   2          3HG2      ILE   2  -6.136   4.186   8.336
   18   1HD1  ILE   2          1HD1      ILE   2  -4.148   0.645   5.980
   19   2HD1  ILE   2          2HD1      ILE   2  -5.344  -0.606   6.327
   20   3HD1  ILE   2          3HD1      ILE   2  -4.710   0.396   7.632
   21    HA   PRO   3           HA       PRO   3  -6.212   7.941   6.520
   22   1HB   PRO   3          1HB       PRO   3  -7.995   8.448   8.447
   23   2HB   PRO   3          2HB       PRO   3  -8.533   8.136   6.788
   24   1HG   PRO   3          1HG       PRO   3  -8.315   6.199   9.091
   25   2HG   PRO   3          2HG       PRO   3  -9.738   6.536   8.069
   26   1HD   PRO   3          1HD       PRO   3  -8.144   4.444   7.537
   27   2HD   PRO   3          2HD       PRO   3  -8.817   5.430   6.220
   28    H    VAL   4           H        VAL   4  -5.832   9.287   8.623
   29    HA   VAL   4           HA       VAL   4  -4.660   9.628  10.542
   30    HB   VAL   4           HB       VAL   4  -5.960   6.981  10.938
   31   1HG1  VAL   4          1HG1      VAL   4  -3.706   7.939  12.687
   32   2HG1  VAL   4          2HG1      VAL   4  -3.973   6.332  12.008
   33   3HG1  VAL   4          3HG1      VAL   4  -5.006   6.922  13.310
   34   1HG2  VAL   4          1HG2      VAL   4  -5.913   9.398  12.723
   35   2HG2  VAL   4          2HG2      VAL   4  -7.100   8.094  12.677
   36   3HG2  VAL   4          3HG2      VAL   4  -6.994   9.238  11.339
   37    H    ARG   5           H        ARG   5  -3.903   6.203  10.000
   38    HA   ARG   5           HA       ARG   5  -1.156   6.515  10.547
   39   1HB   ARG   5          1HB       ARG   5  -2.934   4.404  10.253
   40   2HB   ARG   5          2HB       ARG   5  -1.820   4.192   8.907
   41   1HG   ARG   5          1HG       ARG   5  -0.823   2.962  10.575
   42   2HG   ARG   5          2HG       ARG   5   0.016   4.507  10.712
   43   1HD   ARG   5          1HD       ARG   5  -2.122   4.890  12.355
   44   2HD   ARG   5          2HD       ARG   5  -1.802   3.171  12.584
   45    HE   ARG   5           HE       ARG   5   0.646   4.295  12.834
   46   1HH1  ARG   5          1HH1      ARG   5  -2.442   4.923  14.315
   47   2HH1  ARG   5          2HH1      ARG   5  -1.761   5.487  15.803
   48   1HH2  ARG   5          1HH2      ARG   5   1.555   5.037  14.791
   49   2HH2  ARG   5          2HH2      ARG   5   0.512   5.553  16.074
   50    H    CYS   6           H        CYS   6   0.284   5.193   8.803
   51    HA   CYS   6           HA       CYS   6   0.933   6.981   6.741
   52   1HB   CYS   6          1HB       CYS   6   1.653   4.168   7.461
   53   2HB   CYS   6          2HB       CYS   6   2.144   4.777   5.893
   54    H    LEU   7           H        LEU   7   1.214   5.360   4.471
   55    HA   LEU   7           HA       LEU   7   0.114   4.257   2.771
   56   1HB   LEU   7          1HB       LEU   7  -2.459   4.839   4.218
   57   2HB   LEU   7          2HB       LEU   7  -2.277   3.849   2.798
   58    HG   LEU   7           HG       LEU   7  -2.074   2.054   4.091
   59   1HD1  LEU   7          1HD1      LEU   7   0.129   3.189   5.765
   60   2HD1  LEU   7          2HD1      LEU   7   0.418   2.777   4.074
   61   3HD1  LEU   7          3HD1      LEU   7  -0.115   1.535   5.207
   62   1HD2  LEU   7          1HD2      LEU   7  -1.776   3.363   6.692
   63   2HD2  LEU   7          2HD2      LEU   7  -2.946   2.163   6.142
   64   3HD2  LEU   7          3HD2      LEU   7  -3.181   3.869   5.747
   65    H    SER   8           H        SER   8   0.889   6.973   3.089
   66    HA   SER   8           HA       SER   8  -0.098   8.078   0.733
   67   1HB   SER   8          1HB       SER   8  -2.002   8.352   2.696
   68   2HB   SER   8          2HB       SER   8  -1.136   9.884   2.807
   69    HG   SER   8           HG       SER   8  -1.902   8.909   0.289
   70    H    CYS   9           H        CYS   9   0.559   9.536   3.919
   71    HA   CYS   9           HA       CYS   9   2.083  11.105   4.568
   72   1HB   CYS   9          1HB       CYS   9   3.633   9.057   3.039
   73   2HB   CYS   9          2HB       CYS   9   4.467  10.507   3.588
   74    H    GLY  10           H        GLY  10   0.607  11.633   2.024
   75   1HA   GLY  10          1HA       GLY  10   0.798  13.904   1.095
   76   2HA   GLY  10          2HA       GLY  10   2.517  13.588   0.901
   77    H    LYS  11           H        LYS  11   1.749  10.766   0.038
   78    HA   LYS  11           HA       LYS  11   1.123  11.497  -2.740
   79   1HB   LYS  11          1HB       LYS  11   3.165   9.837  -1.561
   80   2HB   LYS  11          2HB       LYS  11   2.201   8.905  -2.702
   81   1HG   LYS  11          1HG       LYS  11   4.194   9.966  -3.713
   82   2HG   LYS  11          2HG       LYS  11   2.675  10.468  -4.460
   83   1HD   LYS  11          1HD       LYS  11   2.753  12.577  -3.513
   84   2HD   LYS  11          2HD       LYS  11   3.854  12.069  -2.234
   85   1HE   LYS  11          1HE       LYS  11   4.942  11.756  -4.930
   86   2HE   LYS  11          2HE       LYS  11   4.568  13.426  -4.503
   87   1HZ   LYS  11          1HZ       LYS  11   5.846  12.292  -2.313
   88   2HZ   LYS  11          2HZ       LYS  11   6.447  13.477  -3.361
   89   3HZ   LYS  11          3HZ       LYS  11   6.745  11.841  -3.675
   90    HA   PRO  12           HA       PRO  12  -2.351   8.781  -2.556
   91   1HB   PRO  12          1HB       PRO  12  -2.819   8.445  -5.175
   92   2HB   PRO  12          2HB       PRO  12  -2.967  10.026  -4.403
   93   1HG   PRO  12          1HG       PRO  12  -0.871   9.000  -6.219
   94   2HG   PRO  12          2HG       PRO  12  -1.402  10.665  -5.941
   95   1HD   PRO  12          1HD       PRO  12   0.873   9.347  -4.831
   96   2HD   PRO  12          2HD       PRO  12   0.303  10.990  -4.489
   97    H    VAL  13           H        VAL  13  -2.469   6.700  -1.993
   98    HA   VAL  13           HA       VAL  13  -1.045   4.715  -3.644
   99    HB   VAL  13           HB       VAL  13  -0.555   3.383  -1.724
  100   1HG1  VAL  13          1HG1      VAL  13   0.137   6.287  -1.438
  101   2HG1  VAL  13          2HG1      VAL  13   1.140   4.958  -2.018
  102   3HG1  VAL  13          3HG1      VAL  13   0.745   5.082  -0.302
  103   1HG2  VAL  13          1HG2      VAL  13  -2.216   5.371  -0.182
  104   2HG2  VAL  13          2HG2      VAL  13  -1.138   4.205   0.582
  105   3HG2  VAL  13          3HG2      VAL  13  -2.504   3.641  -0.379
  106    H    SER  14           H        SER  14  -3.978   5.815  -3.307
  107    HA   SER  14           HA       SER  14  -5.434   3.445  -2.570
  108   1HB   SER  14          1HB       SER  14  -6.632   5.797  -4.016
  109   2HB   SER  14          2HB       SER  14  -7.380   4.730  -2.822
  110    HG   SER  14           HG       SER  14  -5.572   5.710  -1.423
  111    H    ALA  15           H        ALA  15  -5.477   5.366  -5.573
  112    HA   ALA  15           HA       ALA  15  -6.683   3.467  -7.184
  113   1HB   ALA  15          1HB       ALA  15  -5.934   4.743  -9.060
  114   2HB   ALA  15          2HB       ALA  15  -4.629   5.463  -8.117
  115   3HB   ALA  15          3HB       ALA  15  -6.307   5.865  -7.753
  116    H    TYR  16           H        TYR  16  -3.452   3.535  -5.982
  117    HA   TYR  16           HA       TYR  16  -2.422   1.763  -8.013
  118   1HB   TYR  16          1HB       TYR  16  -1.312   3.206  -5.656
  119   2HB   TYR  16          2HB       TYR  16  -0.456   1.780  -6.224
  120    HD1  TYR  16           HD1      TYR  16  -0.936   5.263  -6.680
  121    HD2  TYR  16           HD2      TYR  16   0.127   1.699  -8.744
  122    HE1  TYR  16           HE1      TYR  16   0.125   6.609  -8.443
  123    HE2  TYR  16           HE2      TYR  16   1.192   3.035 -10.514
  124    HH   TYR  16           HH       TYR  16   2.087   6.106 -10.214
  125    H    PHE  17           H        PHE  17  -3.791   1.512  -4.825
  126    HA   PHE  17           HA       PHE  17  -2.820  -0.900  -3.912
  127   1HB   PHE  17          1HB       PHE  17  -5.414   0.528  -3.621
  128   2HB   PHE  17          2HB       PHE  17  -5.373  -1.161  -3.138
  129    HD1  PHE  17           HD1      PHE  17  -2.199   0.408  -2.662
  130    HD2  PHE  17           HD2      PHE  17  -6.064  -0.072  -0.933
  131    HE1  PHE  17           HE1      PHE  17  -1.298   1.049  -0.467
  132    HE2  PHE  17           HE2      PHE  17  -5.164   0.572   1.261
  133    HZ   PHE  17           HZ       PHE  17  -2.781   1.134   1.498
  134    H    ASN  18           H        ASN  18  -5.061  -0.295  -6.521
  135    HA   ASN  18           HA       ASN  18  -6.106  -2.879  -6.843
  136   1HB   ASN  18          1HB       ASN  18  -6.638  -0.581  -8.058
  137   2HB   ASN  18          2HB       ASN  18  -5.502  -1.209  -9.248
  138   1HD2  ASN  18          1HD2      ASN  18  -8.474  -0.734  -9.223
  139   2HD2  ASN  18          2HD2      ASN  18  -9.149  -2.231  -9.779
  140    H    GLU  19           H        GLU  19  -3.091  -1.409  -7.856
  141    HA   GLU  19           HA       GLU  19  -2.208  -3.462  -9.583
  142   1HB   GLU  19          1HB       GLU  19  -1.275  -1.053  -9.174
  143   2HB   GLU  19          2HB       GLU  19  -0.318  -1.826  -7.920
  144   1HG   GLU  19          1HG       GLU  19   1.001  -1.701  -9.896
  145   2HG   GLU  19          2HG       GLU  19   0.563  -3.389  -9.634
  146    H    TYR  20           H        TYR  20  -1.384  -2.760  -6.197
  147    HA   TYR  20           HA       TYR  20   0.155  -4.991  -5.630
  148   1HB   TYR  20          1HB       TYR  20   0.004  -3.248  -4.012
  149   2HB   TYR  20          2HB       TYR  20  -1.743  -3.396  -3.907
  150    HD1  TYR  20           HD1      TYR  20  -2.743  -5.384  -2.775
  151    HD2  TYR  20           HD2      TYR  20   1.434  -4.592  -2.671
  152    HE1  TYR  20           HE1      TYR  20  -2.508  -6.911  -0.862
  153    HE2  TYR  20           HE2      TYR  20   1.683  -6.116  -0.757
  154    HH   TYR  20           HH       TYR  20  -0.516  -8.349   0.114
  155    H    GLN  21           H        GLN  21  -3.354  -4.605  -5.354
  156    HA   GLN  21           HA       GLN  21  -3.953  -7.166  -4.406
  157   1HB   GLN  21          1HB       GLN  21  -5.604  -5.401  -4.351
  158   2HB   GLN  21          2HB       GLN  21  -5.593  -5.279  -6.105
  159   1HG   GLN  21          1HG       GLN  21  -6.779  -7.232  -6.385
  160   2HG   GLN  21          2HG       GLN  21  -6.334  -7.855  -4.797
  161   1HE2  GLN  21          1HE2      GLN  21  -7.697  -7.573  -3.155
  162   2HE2  GLN  21          2HE2      GLN  21  -9.123  -6.598  -3.199
  163    H    ARG  22           H        ARG  22  -4.051  -5.944  -7.754
  164    HA   ARG  22           HA       ARG  22  -4.768  -8.265  -9.052
  165   1HB   ARG  22          1HB       ARG  22  -4.609  -6.152 -10.225
  166   2HB   ARG  22          2HB       ARG  22  -2.871  -6.093  -9.961
  167   1HG   ARG  22          1HG       ARG  22  -3.068  -6.777 -12.167
  168   2HG   ARG  22          2HG       ARG  22  -2.798  -8.287 -11.293
  169   1HD   ARG  22          1HD       ARG  22  -5.520  -8.057 -11.218
  170   2HD   ARG  22          2HD       ARG  22  -5.134  -7.374 -12.798
  171    HE   ARG  22           HE       ARG  22  -3.809  -9.864 -12.306
  172   1HH1  ARG  22          1HH1      ARG  22  -6.780  -8.390 -13.363
  173   2HH1  ARG  22          2HH1      ARG  22  -7.276  -9.756 -14.305
  174   1HH2  ARG  22          1HH2      ARG  22  -4.450 -11.671 -13.543
  175   2HH2  ARG  22          2HH2      ARG  22  -5.950 -11.623 -14.408
  176    H    ARG  23           H        ARG  23  -1.454  -7.147  -8.373
  177    HA   ARG  23           HA       ARG  23  -0.146  -9.393  -9.428
  178   1HB   ARG  23          1HB       ARG  23   0.565  -7.031  -7.925
  179   2HB   ARG  23          2HB       ARG  23   1.447  -8.430  -7.321
  180   1HG   ARG  23          1HG       ARG  23   2.801  -7.456  -8.986
  181   2HG   ARG  23          2HG       ARG  23   2.100  -8.902  -9.706
  182   1HD   ARG  23          1HD       ARG  23   1.116  -7.720 -11.305
  183   2HD   ARG  23          2HD       ARG  23   0.388  -6.628 -10.127
  184    HE   ARG  23           HE       ARG  23   2.929  -5.748 -10.248
  185   1HH1  ARG  23          1HH1      ARG  23   0.564  -6.462 -12.703
  186   2HH1  ARG  23          2HH1      ARG  23   1.171  -5.280 -13.815
  187   1HH2  ARG  23          1HH2      ARG  23   3.737  -4.189 -11.703
  188   2HH2  ARG  23          2HH2      ARG  23   2.975  -3.987 -13.246
  189    H    VAL  24           H        VAL  24  -0.552  -8.592  -5.973
  190    HA   VAL  24           HA       VAL  24   0.268 -10.968  -4.883
  191    HB   VAL  24           HB       VAL  24  -2.011  -9.274  -3.855
  192   1HG1  VAL  24          1HG1      VAL  24  -0.222 -11.288  -2.504
  193   2HG1  VAL  24          2HG1      VAL  24  -1.971 -11.374  -2.711
  194   3HG1  VAL  24          3HG1      VAL  24  -1.269 -10.161  -1.642
  195   1HG2  VAL  24          1HG2      VAL  24  -0.520  -7.683  -3.443
  196   2HG2  VAL  24          2HG2      VAL  24   0.742  -8.658  -4.197
  197   3HG2  VAL  24          3HG2      VAL  24   0.420  -8.813  -2.470
  198    H    ALA  25           H        ALA  25  -2.760 -10.266  -6.466
  199    HA   ALA  25           HA       ALA  25  -4.295 -12.417  -5.529
  200   1HB   ALA  25          1HB       ALA  25  -5.743 -12.024  -7.379
  201   2HB   ALA  25          2HB       ALA  25  -4.466 -11.210  -8.282
  202   3HB   ALA  25          3HB       ALA  25  -5.139 -10.459  -6.837
  203    H    ASP  26           H        ASP  26  -2.255 -12.153  -8.435
  204    HA   ASP  26           HA       ASP  26  -2.640 -14.896  -9.163
  205   1HB   ASP  26          1HB       ASP  26  -0.502 -12.980 -10.120
  206   2HB   ASP  26          2HB       ASP  26  -1.013 -14.468 -10.911
  207    H    GLY  27           H        GLY  27  -0.319 -13.107  -7.268
  208   1HA   GLY  27          1HA       GLY  27   0.796 -14.439  -5.512
  209   2HA   GLY  27          2HA       GLY  27   1.110 -15.643  -6.752
  210    H    GLU  28           H        GLU  28   1.414 -12.246  -7.448
  211    HA   GLU  28           HA       GLU  28   4.210 -12.622  -8.069
  212   1HB   GLU  28          1HB       GLU  28   2.700 -10.023  -8.246
  213   2HB   GLU  28          2HB       GLU  28   4.102 -10.542  -9.176
  214   1HG   GLU  28          1HG       GLU  28   2.370 -12.449  -9.898
  215   2HG   GLU  28          2HG       GLU  28   1.245 -11.134  -9.570
  216    H    ASP  29           H        ASP  29   5.813 -10.960  -7.390
  217    HA   ASP  29           HA       ASP  29   5.854 -10.759  -4.545
  218   1HB   ASP  29          1HB       ASP  29   7.684 -10.049  -6.777
  219   2HB   ASP  29          2HB       ASP  29   7.918  -9.202  -5.250
  220    HA   PRO  30           HA       PRO  30   3.360  -6.990  -4.547
  221   1HB   PRO  30          1HB       PRO  30   4.208  -6.957  -1.710
  222   2HB   PRO  30          2HB       PRO  30   2.588  -6.874  -2.406
  223   1HG   PRO  30          1HG       PRO  30   3.471  -9.098  -1.204
  224   2HG   PRO  30          2HG       PRO  30   2.410  -9.165  -2.623
  225   1HD   PRO  30          1HD       PRO  30   5.349  -9.645  -2.427
  226   2HD   PRO  30          2HD       PRO  30   4.139 -10.448  -3.448
  227    H    LYS  31           H        LYS  31   6.472  -7.267  -2.851
  228    HA   LYS  31           HA       LYS  31   7.115  -4.616  -2.544
  229   1HB   LYS  31          1HB       LYS  31   8.538  -7.133  -2.615
  230   2HB   LYS  31          2HB       LYS  31   9.506  -5.845  -3.309
  231   1HG   LYS  31          1HG       LYS  31   9.826  -4.845  -1.324
  232   2HG   LYS  31          2HG       LYS  31   8.170  -5.149  -0.790
  233   1HD   LYS  31          1HD       LYS  31   9.022  -7.638  -0.674
  234   2HD   LYS  31          2HD       LYS  31  10.599  -6.859  -0.536
  235   1HE   LYS  31          1HE       LYS  31  10.187  -6.103   1.542
  236   2HE   LYS  31          2HE       LYS  31   8.505  -5.719   1.176
  237   1HZ   LYS  31          1HZ       LYS  31   9.568  -7.993   2.488
  238   2HZ   LYS  31          2HZ       LYS  31   8.683  -8.471   1.128
  239   3HZ   LYS  31          3HZ       LYS  31   7.953  -7.517   2.319
  240    H    ASP  32           H        ASP  32   7.342  -6.612  -5.438
  241    HA   ASP  32           HA       ASP  32   8.657  -4.689  -7.067
  242   1HB   ASP  32          1HB       ASP  32   7.800  -7.325  -7.385
  243   2HB   ASP  32          2HB       ASP  32   6.801  -6.412  -8.512
  244    H    VAL  33           H        VAL  33   5.297  -5.453  -6.334
  245    HA   VAL  33           HA       VAL  33   4.052  -3.660  -8.098
  246    HB   VAL  33           HB       VAL  33   3.093  -4.449  -5.344
  247   1HG1  VAL  33          1HG1      VAL  33   1.009  -4.039  -7.242
  248   2HG1  VAL  33          2HG1      VAL  33   2.064  -2.624  -7.238
  249   3HG1  VAL  33          3HG1      VAL  33   1.322  -3.174  -5.736
  250   1HG2  VAL  33          1HG2      VAL  33   2.770  -5.793  -8.015
  251   2HG2  VAL  33          2HG2      VAL  33   1.742  -6.143  -6.626
  252   3HG2  VAL  33          3HG2      VAL  33   3.476  -6.463  -6.543
  253    H    LEU  34           H        LEU  34   5.288  -3.265  -4.799
  254    HA   LEU  34           HA       LEU  34   4.404  -0.708  -4.248
  255   1HB   LEU  34          1HB       LEU  34   6.897  -2.180  -3.475
  256   2HB   LEU  34          2HB       LEU  34   6.660  -0.516  -2.986
  257    HG   LEU  34           HG       LEU  34   6.011  -2.295  -1.291
  258   1HD1  LEU  34          1HD1      LEU  34   4.839  -0.677  -0.368
  259   2HD1  LEU  34          2HD1      LEU  34   3.547  -0.846  -1.550
  260   3HD1  LEU  34          3HD1      LEU  34   4.928   0.193  -1.899
  261   1HD2  LEU  34          1HD2      LEU  34   4.872  -3.898  -2.572
  262   2HD2  LEU  34          2HD2      LEU  34   3.847  -2.678  -3.327
  263   3HD2  LEU  34          3HD2      LEU  34   3.626  -3.082  -1.631
  264    H    ASP  35           H        ASP  35   7.103  -1.762  -6.226
  265    HA   ASP  35           HA       ASP  35   8.264   0.755  -6.687
  266   1HB   ASP  35          1HB       ASP  35   8.960  -1.740  -7.391
  267   2HB   ASP  35          2HB       ASP  35   8.223  -1.228  -8.907
  268    H    ASP  36           H        ASP  36   5.561  -0.951  -8.119
  269    HA   ASP  36           HA       ASP  36   5.097   1.066 -10.140
  270   1HB   ASP  36          1HB       ASP  36   4.253  -1.616  -9.676
  271   2HB   ASP  36          2HB       ASP  36   2.812  -0.607  -9.775
  272    H    LEU  37           H        LEU  37   3.579   0.039  -7.100
  273    HA   LEU  37           HA       LEU  37   1.327   1.565  -6.971
  274   1HB   LEU  37          1HB       LEU  37   3.344   0.780  -4.915
  275   2HB   LEU  37          2HB       LEU  37   2.066   1.883  -4.463
  276    HG   LEU  37           HG       LEU  37   1.193  -0.602  -5.802
  277   1HD1  LEU  37          1HD1      LEU  37   2.740  -0.554  -3.273
  278   2HD1  LEU  37          2HD1      LEU  37   2.568  -1.830  -4.479
  279   3HD1  LEU  37          3HD1      LEU  37   1.280  -1.545  -3.310
  280   1HD2  LEU  37          1HD2      LEU  37  -0.740   0.034  -4.914
  281   2HD2  LEU  37          2HD2      LEU  37   0.057   1.484  -4.302
  282   3HD2  LEU  37          3HD2      LEU  37  -0.043   0.039  -3.294
  283    H    GLY  38           H        GLY  38   4.644   2.625  -6.584
  284   1HA   GLY  38          1HA       GLY  38   5.601   4.695  -6.566
  285   2HA   GLY  38          2HA       GLY  38   4.145   5.269  -7.365
  286    H    LEU  39           H        LEU  39   5.263   4.265  -4.137
  287    HA   LEU  39           HA       LEU  39   3.476   6.253  -2.948
  288   1HB   LEU  39          1HB       LEU  39   5.095   4.129  -1.565
  289   2HB   LEU  39          2HB       LEU  39   3.762   5.050  -0.894
  290    HG   LEU  39           HG       LEU  39   2.528   3.874  -2.982
  291   1HD1  LEU  39          1HD1      LEU  39   4.956   2.334  -2.454
  292   2HD1  LEU  39          2HD1      LEU  39   3.902   2.342  -3.859
  293   3HD1  LEU  39          3HD1      LEU  39   3.471   1.379  -2.444
  294   1HD2  LEU  39          1HD2      LEU  39   2.291   3.846  -0.303
  295   2HD2  LEU  39          2HD2      LEU  39   2.717   2.162  -0.606
  296   3HD2  LEU  39          3HD2      LEU  39   1.306   2.869  -1.391
  297    H    LYS  40           H        LYS  40   4.876   6.578  -0.501
  298    HA   LYS  40           HA       LYS  40   7.067   8.298  -1.428
  299   1HB   LYS  40          1HB       LYS  40   5.266   9.526  -0.408
  300   2HB   LYS  40          2HB       LYS  40   5.299   8.489   1.011
  301   1HG   LYS  40          1HG       LYS  40   6.402  10.365   1.755
  302   2HG   LYS  40          2HG       LYS  40   7.744   9.335   1.253
  303   1HD   LYS  40          1HD       LYS  40   6.986  10.751  -1.037
  304   2HD   LYS  40          2HD       LYS  40   6.964  11.930   0.277
  305   1HE   LYS  40          1HE       LYS  40   9.156  12.003  -0.540
  306   2HE   LYS  40          2HE       LYS  40   9.257  11.004   0.910
  307   1HZ   LYS  40          1HZ       LYS  40   8.765   9.193  -1.031
  308   2HZ   LYS  40          2HZ       LYS  40  10.296   9.563  -0.415
  309   3HZ   LYS  40          3HZ       LYS  40   9.755  10.305  -1.835
  310    H    ARG  41           H        ARG  41   6.535   7.321   1.929
  311    HA   ARG  41           HA       ARG  41   9.294   6.317   1.969
  312   1HB   ARG  41          1HB       ARG  41   7.494   7.500   4.058
  313   2HB   ARG  41          2HB       ARG  41   8.896   6.553   4.526
  314   1HG   ARG  41          1HG       ARG  41   8.978   9.005   2.781
  315   2HG   ARG  41          2HG       ARG  41   9.333   8.971   4.511
  316   1HD   ARG  41          1HD       ARG  41  10.814   6.978   2.988
  317   2HD   ARG  41          2HD       ARG  41  11.159   8.633   2.487
  318    HE   ARG  41           HE       ARG  41  11.348   8.766   5.175
  319   1HH1  ARG  41          1HH1      ARG  41  12.747   6.637   2.801
  320   2HH1  ARG  41          2HH1      ARG  41  14.187   6.348   3.718
  321   1HH2  ARG  41          1HH2      ARG  41  13.241   8.393   6.393
  322   2HH2  ARG  41          2HH2      ARG  41  14.468   7.346   5.761
  323    H    TYR  42           H        TYR  42   9.855   4.396   3.020
  324    HA   TYR  42           HA       TYR  42   8.199   2.212   2.628
  325   1HB   TYR  42          1HB       TYR  42   9.866   0.901   3.622
  326   2HB   TYR  42          2HB       TYR  42  10.747   2.294   3.010
  327    HD1  TYR  42           HD1      TYR  42  12.172   3.469   4.427
  328    HD2  TYR  42           HD2      TYR  42   9.156   0.990   6.126
  329    HE1  TYR  42           HE1      TYR  42  13.120   3.857   6.662
  330    HE2  TYR  42           HE2      TYR  42  10.099   1.371   8.365
  331    HH   TYR  42           HH       TYR  42  12.820   2.154   9.109
  332    H    CYS  43           H        CYS  43   8.506   4.298   5.418
  333    HA   CYS  43           HA       CYS  43   7.499   2.907   7.504
  334   1HB   CYS  43          1HB       CYS  43   6.364   5.030   8.230
  335   2HB   CYS  43          2HB       CYS  43   8.053   5.224   7.770
  336    H    CYS  44           H        CYS  44   5.747   3.918   4.675
  337    HA   CYS  44           HA       CYS  44   3.165   3.136   5.726
  338   1HB   CYS  44          1HB       CYS  44   3.817   3.736   2.847
  339   2HB   CYS  44          2HB       CYS  44   2.281   3.941   3.683
  340    H    ARG  45           H        ARG  45   5.214   2.054   3.005
  341    HA   ARG  45           HA       ARG  45   3.831  -0.130   2.172
  342   1HB   ARG  45          1HB       ARG  45   6.814  -0.245   2.493
  343   2HB   ARG  45          2HB       ARG  45   5.826  -0.987   1.243
  344   1HG   ARG  45          1HG       ARG  45   6.594   1.885   1.573
  345   2HG   ARG  45          2HG       ARG  45   6.851   0.812   0.197
  346   1HD   ARG  45          1HD       ARG  45   5.045   1.662  -0.718
  347   2HD   ARG  45          2HD       ARG  45   4.098   0.883   0.535
  348    HE   ARG  45           HE       ARG  45   3.537   2.987   1.131
  349   1HH1  ARG  45          1HH1      ARG  45   6.876   3.112   0.043
  350   2HH1  ARG  45          2HH1      ARG  45   7.044   4.786   0.413
  351   1HH2  ARG  45          1HH2      ARG  45   3.790   5.188   1.584
  352   2HH2  ARG  45          2HH2      ARG  45   5.307   5.963   1.283
  353    H    ARG  46           H        ARG  46   6.259  -0.144   4.787
  354    HA   ARG  46           HA       ARG  46   6.337  -2.759   5.473
  355   1HB   ARG  46          1HB       ARG  46   6.629  -1.965   7.856
  356   2HB   ARG  46          2HB       ARG  46   7.679  -1.215   6.660
  357   1HG   ARG  46          1HG       ARG  46   7.031   0.759   7.395
  358   2HG   ARG  46          2HG       ARG  46   5.409   0.412   6.794
  359   1HD   ARG  46          1HD       ARG  46   5.324   1.038   9.137
  360   2HD   ARG  46          2HD       ARG  46   4.856  -0.650   8.938
  361    HE   ARG  46           HE       ARG  46   6.698  -1.275  10.150
  362   1HH1  ARG  46          1HH1      ARG  46   7.011   2.067   9.219
  363   2HH1  ARG  46          2HH1      ARG  46   8.402   2.347  10.212
  364   1HH2  ARG  46          1HH2      ARG  46   8.530  -0.916  11.460
  365   2HH2  ARG  46          2HH2      ARG  46   9.266   0.652  11.486
  366    H    MET  47           H        MET  47   3.710  -0.527   6.107
  367    HA   MET  47           HA       MET  47   2.202  -2.521   7.600
  368   1HB   MET  47          1HB       MET  47   1.743   0.359   6.872
  369   2HB   MET  47          2HB       MET  47   0.419  -0.637   7.458
  370   1HG   MET  47          1HG       MET  47   1.235  -0.743   9.570
  371   2HG   MET  47          2HG       MET  47   2.914  -0.622   9.047
  372   1HE   MET  47          1HE       MET  47   0.192   3.047   8.708
  373   2HE   MET  47          2HE       MET  47  -0.187   1.397   8.213
  374   3HE   MET  47          3HE       MET  47   0.982   2.348   7.294
  375    H    LEU  48           H        LEU  48   2.326  -1.040   4.436
  376    HA   LEU  48           HA       LEU  48  -0.191  -2.037   3.558
  377   1HB   LEU  48          1HB       LEU  48   2.104  -1.117   1.834
  378   2HB   LEU  48          2HB       LEU  48   0.411  -1.192   1.390
  379    HG   LEU  48           HG       LEU  48   1.274   0.553   3.658
  380   1HD1  LEU  48          1HD1      LEU  48   1.831   0.956   0.780
  381   2HD1  LEU  48          2HD1      LEU  48   2.697   1.546   2.197
  382   3HD1  LEU  48          3HD1      LEU  48   1.209   2.338   1.683
  383   1HD2  LEU  48          1HD2      LEU  48  -1.021   0.499   3.544
  384   2HD2  LEU  48          2HD2      LEU  48  -1.035   0.364   1.786
  385   3HD2  LEU  48          3HD2      LEU  48  -0.644   1.905   2.549
  386    H    ILE  49           H        ILE  49   3.021  -2.778   2.182
  387    HA   ILE  49           HA       ILE  49   2.443  -4.906   0.646
  388    HB   ILE  49           HB       ILE  49   4.710  -5.898   1.356
  389   1HG1  ILE  49          1HG1      ILE  49   5.524  -3.311   2.428
  390   2HG1  ILE  49          2HG1      ILE  49   4.387  -4.153   3.483
  391   1HG2  ILE  49          1HG2      ILE  49   4.407  -3.133   0.217
  392   2HG2  ILE  49          2HG2      ILE  49   4.482  -4.661  -0.660
  393   3HG2  ILE  49          3HG2      ILE  49   5.912  -4.053   0.175
  394   1HD1  ILE  49          1HD1      ILE  49   6.923  -5.361   2.416
  395   2HD1  ILE  49          2HD1      ILE  49   5.835  -6.052   3.620
  396   3HD1  ILE  49          3HD1      ILE  49   6.762  -4.599   3.999
  397    H    SER  50           H        SER  50   2.553  -4.954   4.134
  398    HA   SER  50           HA       SER  50   2.409  -7.811   4.344
  399   1HB   SER  50          1HB       SER  50   2.616  -5.541   6.167
  400   2HB   SER  50          2HB       SER  50   1.519  -6.786   6.766
  401    HG   SER  50           HG       SER  50   4.067  -7.449   5.757
  402    H    HIS  51           H        HIS  51   0.106  -5.494   5.739
  403    HA   HIS  51           HA       HIS  51  -2.048  -7.367   5.226
  404   1HB   HIS  51          1HB       HIS  51  -1.534  -5.721   7.324
  405   2HB   HIS  51          2HB       HIS  51  -2.697  -4.750   6.426
  406    HD2  HIS  51           HD2      HIS  51  -5.179  -5.224   7.257
  407    HE1  HIS  51           HE1      HIS  51  -4.644  -9.270   8.378
  408    HE2  HIS  51           HE2      HIS  51  -6.292  -7.347   8.250
  409    H    VAL  52           H        VAL  52  -1.974  -3.819   4.892
  410    HA   VAL  52           HA       VAL  52  -3.155  -2.450   3.485
  411    HB   VAL  52           HB       VAL  52  -1.129  -2.969   2.179
  412   1HG1  VAL  52          1HG1      VAL  52  -2.851  -5.102   0.936
  413   2HG1  VAL  52          2HG1      VAL  52  -1.401  -5.349   1.907
  414   3HG1  VAL  52          3HG1      VAL  52  -1.281  -4.581   0.323
  415   1HG2  VAL  52          1HG2      VAL  52  -2.005  -1.467   0.808
  416   2HG2  VAL  52          2HG2      VAL  52  -3.639  -2.019   1.175
  417   3HG2  VAL  52          3HG2      VAL  52  -2.718  -2.788  -0.117
  418    H    GLU  53           H        GLU  53  -4.755  -4.595   4.514
  419    HA   GLU  53           HA       GLU  53  -6.813  -5.521   4.233
  420   1HB   GLU  53          1HB       GLU  53  -6.974  -3.081   3.064
  421   2HB   GLU  53          2HB       GLU  53  -7.378  -4.109   1.697
  422   1HG   GLU  53          1HG       GLU  53  -9.002  -5.218   3.444
  423   2HG   GLU  53          2HG       GLU  53  -8.853  -3.647   4.230
  424    H    THR  54           H        THR  54  -6.289  -7.616   3.774
  425    HA   THR  54           HA       THR  54  -6.734  -8.491   1.060
  426    HB   THR  54           HB       THR  54  -4.569  -9.944   1.229
  427    HG1  THR  54           HG1      THR  54  -3.867  -9.281   3.260
  428   1HG2  THR  54          1HG2      THR  54  -5.208  -7.931  -0.327
  429   2HG2  THR  54          2HG2      THR  54  -3.548  -8.524  -0.271
  430   3HG2  THR  54          3HG2      THR  54  -3.999  -7.076   0.630
  431    H    TRP  55           H        TRP  55  -8.210 -10.015   1.399
  432    HA   TRP  55           HA       TRP  55  -7.680 -12.031   3.478
  433   1HB   TRP  55          1HB       TRP  55  -9.497 -10.518   4.188
  434   2HB   TRP  55          2HB       TRP  55 -10.386 -10.907   2.718
  435    HD1  TRP  55           HD1      TRP  55 -12.213 -12.638   3.103
  436    HE1  TRP  55           HE1      TRP  55 -12.596 -14.604   4.720
  437    HE3  TRP  55           HE3      TRP  55  -7.824 -12.407   5.716
  438    HZ2  TRP  55           HZ2      TRP  55 -11.221 -15.886   6.824
  439    HZ3  TRP  55           HZ3      TRP  55  -7.437 -14.040   7.516
  440    HH2  TRP  55           HH2      TRP  55  -9.100 -15.742   8.057
  Start of MODEL   12
    1    H    MET   1           H        MET   1  -7.418   2.226   0.283
    2    HA   MET   1           HA       MET   1  -5.802   2.766   1.772
    3   1HB   MET   1          1HB       MET   1  -4.845   4.885   1.630
    4   2HB   MET   1          2HB       MET   1  -5.632   4.676   0.076
    5   1HG   MET   1          1HG       MET   1  -6.965   6.426   0.383
    6   2HG   MET   1          2HG       MET   1  -7.333   5.988   2.045
    7   1HE   MET   1          1HE       MET   1  -4.982   7.192   4.236
    8   2HE   MET   1          2HE       MET   1  -3.632   6.668   3.230
    9   3HE   MET   1          3HE       MET   1  -5.050   5.636   3.411
   10    H    ILE   2           H        ILE   2  -5.576   2.929   3.917
   11    HA   ILE   2           HA       ILE   2  -7.799   2.970   5.581
   12    HB   ILE   2           HB       ILE   2  -4.937   3.597   6.299
   13   1HG1  ILE   2          1HG1      ILE   2  -6.390   0.964   6.549
   14   2HG1  ILE   2          2HG1      ILE   2  -5.411   1.387   5.147
   15   1HG2  ILE   2          1HG2      ILE   2  -7.081   2.557   8.128
   16   2HG2  ILE   2          2HG2      ILE   2  -6.661   4.264   7.996
   17   3HG2  ILE   2          3HG2      ILE   2  -5.459   3.101   8.555
   18   1HD1  ILE   2          1HD1      ILE   2  -4.481   0.039   7.266
   19   2HD1  ILE   2          2HD1      ILE   2  -4.102   1.689   7.765
   20   3HD1  ILE   2          3HD1      ILE   2  -3.475   1.063   6.240
   21    HA   PRO   3           HA       PRO   3  -8.562   7.363   6.036
   22   1HB   PRO   3          1HB       PRO   3 -10.390   7.290   7.941
   23   2HB   PRO   3          2HB       PRO   3 -10.730   6.479   6.402
   24   1HG   PRO   3          1HG       PRO   3  -9.598   5.285   8.939
   25   2HG   PRO   3          2HG       PRO   3 -11.054   4.769   8.043
   26   1HD   PRO   3          1HD       PRO   3  -8.673   3.578   7.656
   27   2HD   PRO   3          2HD       PRO   3  -9.796   3.842   6.308
   28    H    VAL   4           H        VAL   4  -6.150   6.673   7.107
   29    HA   VAL   4           HA       VAL   4  -5.315   8.416   8.924
   30    HB   VAL   4           HB       VAL   4  -7.019   6.415  10.299
   31   1HG1  VAL   4          1HG1      VAL   4  -4.509   7.400  11.681
   32   2HG1  VAL   4          2HG1      VAL   4  -4.724   5.756  11.078
   33   3HG1  VAL   4          3HG1      VAL   4  -5.768   6.368  12.360
   34   1HG2  VAL   4          1HG2      VAL   4  -7.712   8.223  11.504
   35   2HG2  VAL   4          2HG2      VAL   4  -7.108   9.060  10.075
   36   3HG2  VAL   4          3HG2      VAL   4  -6.114   8.968  11.530
   37    H    ARG   5           H        ARG   5  -3.313   7.619  10.167
   38    HA   ARG   5           HA       ARG   5  -1.408   6.342  10.342
   39   1HB   ARG   5          1HB       ARG   5  -3.228   4.415   9.592
   40   2HB   ARG   5          2HB       ARG   5  -2.036   4.330   8.300
   41   1HG   ARG   5          1HG       ARG   5  -1.284   2.784   9.865
   42   2HG   ARG   5          2HG       ARG   5  -0.297   4.213  10.184
   43   1HD   ARG   5          1HD       ARG   5  -2.178   4.794  11.888
   44   2HD   ARG   5          2HD       ARG   5  -2.558   3.076  11.775
   45    HE   ARG   5           HE       ARG   5  -0.311   4.266  13.099
   46   1HH1  ARG   5          1HH1      ARG   5  -1.489   1.398  11.510
   47   2HH1  ARG   5          2HH1      ARG   5  -0.396   0.337  12.334
   48   1HH2  ARG   5          1HH2      ARG   5   1.130   2.877  14.190
   49   2HH2  ARG   5          2HH2      ARG   5   1.093   1.177  13.858
   50    H    CYS   6           H        CYS   6   0.053   5.037   8.417
   51    HA   CYS   6           HA       CYS   6   0.465   7.167   6.430
   52   1HB   CYS   6          1HB       CYS   6   2.276   5.754   8.184
   53   2HB   CYS   6          2HB       CYS   6   2.754   5.543   6.502
   54    H    LEU   7           H        LEU   7  -0.590   6.581   4.672
   55    HA   LEU   7           HA       LEU   7   0.217   4.120   3.345
   56   1HB   LEU   7          1HB       LEU   7  -2.643   5.037   3.622
   57   2HB   LEU   7          2HB       LEU   7  -2.112   3.716   2.606
   58    HG   LEU   7           HG       LEU   7  -2.990   2.609   4.423
   59   1HD1  LEU   7          1HD1      LEU   7  -1.263   1.348   4.964
   60   2HD1  LEU   7          2HD1      LEU   7  -0.568   2.626   5.955
   61   3HD1  LEU   7          3HD1      LEU   7  -0.204   2.546   4.234
   62   1HD2  LEU   7          1HD2      LEU   7  -2.874   3.335   6.710
   63   2HD2  LEU   7          2HD2      LEU   7  -3.427   4.669   5.697
   64   3HD2  LEU   7          3HD2      LEU   7  -1.762   4.635   6.279
   65    H    SER   8           H        SER   8   1.093   6.745   2.997
   66    HA   SER   8           HA       SER   8   0.680   7.120   0.224
   67   1HB   SER   8          1HB       SER   8  -0.879   8.837   2.119
   68   2HB   SER   8          2HB       SER   8  -0.241   9.561   0.642
   69    HG   SER   8           HG       SER   8  -2.138   7.507   0.942
   70    H    CYS   9           H        CYS   9   1.225   9.364   2.942
   71    HA   CYS   9           HA       CYS   9   3.064  10.538   3.598
   72   1HB   CYS   9          1HB       CYS   9   4.153   8.198   2.363
   73   2HB   CYS   9          2HB       CYS   9   5.143   9.582   1.915
   74    H    GLY  10           H        GLY  10   1.387  11.213   1.228
   75   1HA   GLY  10          1HA       GLY  10   1.702  13.519   0.354
   76   2HA   GLY  10          2HA       GLY  10   3.317  13.005  -0.114
   77    H    LYS  11           H        LYS  11   2.076  10.325  -0.872
   78    HA   LYS  11           HA       LYS  11   1.027  11.203  -3.481
   79   1HB   LYS  11          1HB       LYS  11   3.106   9.288  -2.722
   80   2HB   LYS  11          2HB       LYS  11   1.948   8.637  -3.874
   81   1HG   LYS  11          1HG       LYS  11   3.824   9.590  -5.043
   82   2HG   LYS  11          2HG       LYS  11   2.386  10.573  -5.342
   83   1HD   LYS  11          1HD       LYS  11   3.434  11.721  -3.094
   84   2HD   LYS  11          2HD       LYS  11   4.884  11.260  -3.988
   85   1HE   LYS  11          1HE       LYS  11   3.172  12.358  -5.897
   86   2HE   LYS  11          2HE       LYS  11   3.018  13.407  -4.488
   87   1HZ   LYS  11          1HZ       LYS  11   4.957  14.314  -4.989
   88   2HZ   LYS  11          2HZ       LYS  11   5.093  13.324  -6.353
   89   3HZ   LYS  11          3HZ       LYS  11   5.732  12.815  -4.871
   90    HA   PRO  12           HA       PRO  12  -2.512   8.680  -2.680
   91   1HB   PRO  12          1HB       PRO  12  -3.425   8.266  -5.167
   92   2HB   PRO  12          2HB       PRO  12  -3.425   9.870  -4.431
   93   1HG   PRO  12          1HG       PRO  12  -1.620   8.729  -6.496
   94   2HG   PRO  12          2HG       PRO  12  -2.179  10.396  -6.285
   95   1HD   PRO  12          1HD       PRO  12   0.303   9.353  -5.493
   96   2HD   PRO  12          2HD       PRO  12  -0.376  10.916  -5.009
   97    H    VAL  13           H        VAL  13  -2.658   6.610  -2.081
   98    HA   VAL  13           HA       VAL  13  -1.237   4.600  -3.687
   99    HB   VAL  13           HB       VAL  13  -0.792   3.344  -1.775
  100   1HG1  VAL  13          1HG1      VAL  13   0.558   5.348  -1.796
  101   2HG1  VAL  13          2HG1      VAL  13   0.154   4.944  -0.124
  102   3HG1  VAL  13          3HG1      VAL  13  -0.701   6.246  -0.951
  103   1HG2  VAL  13          1HG2      VAL  13  -2.788   4.967  -0.207
  104   2HG2  VAL  13          2HG2      VAL  13  -1.827   3.614   0.390
  105   3HG2  VAL  13          3HG2      VAL  13  -3.067   3.344  -0.837
  106    H    SER  14           H        SER  14  -4.327   5.686  -3.055
  107    HA   SER  14           HA       SER  14  -5.775   3.305  -2.735
  108   1HB   SER  14          1HB       SER  14  -6.885   5.676  -4.214
  109   2HB   SER  14          2HB       SER  14  -7.700   4.590  -3.084
  110    HG   SER  14           HG       SER  14  -7.198   6.662  -2.182
  111    H    ALA  15           H        ALA  15  -5.714   5.280  -5.705
  112    HA   ALA  15           HA       ALA  15  -6.801   3.406  -7.403
  113   1HB   ALA  15          1HB       ALA  15  -6.376   4.882  -9.057
  114   2HB   ALA  15          2HB       ALA  15  -4.691   5.096  -8.580
  115   3HB   ALA  15          3HB       ALA  15  -5.969   5.941  -7.706
  116    H    TYR  16           H        TYR  16  -3.582   3.536  -6.126
  117    HA   TYR  16           HA       TYR  16  -2.517   1.717  -8.100
  118   1HB   TYR  16          1HB       TYR  16  -1.442   3.299  -5.829
  119   2HB   TYR  16          2HB       TYR  16  -0.560   1.849  -6.288
  120    HD1  TYR  16           HD1      TYR  16  -1.025   5.289  -6.956
  121    HD2  TYR  16           HD2      TYR  16   0.005   1.603  -8.818
  122    HE1  TYR  16           HE1      TYR  16   0.049   6.524  -8.791
  123    HE2  TYR  16           HE2      TYR  16   1.083   2.829 -10.658
  124    HH   TYR  16           HH       TYR  16   2.130   5.672 -10.611
  125    H    PHE  17           H        PHE  17  -3.837   1.552  -4.879
  126    HA   PHE  17           HA       PHE  17  -2.814  -0.807  -3.901
  127   1HB   PHE  17          1HB       PHE  17  -5.429   0.583  -3.623
  128   2HB   PHE  17          2HB       PHE  17  -5.352  -1.089  -3.084
  129    HD1  PHE  17           HD1      PHE  17  -2.217   0.602  -2.732
  130    HD2  PHE  17           HD2      PHE  17  -6.010   0.004  -0.890
  131    HE1  PHE  17           HE1      PHE  17  -1.284   1.329  -0.577
  132    HE2  PHE  17           HE2      PHE  17  -5.080   0.733   1.267
  133    HZ   PHE  17           HZ       PHE  17  -2.714   1.395   1.425
  134    H    ASN  18           H        ASN  18  -5.102  -0.340  -6.495
  135    HA   ASN  18           HA       ASN  18  -6.084  -2.967  -6.700
  136   1HB   ASN  18          1HB       ASN  18  -5.894  -0.620  -8.527
  137   2HB   ASN  18          2HB       ASN  18  -6.214  -2.192  -9.253
  138   1HD2  ASN  18          1HD2      ASN  18  -7.862   0.271  -8.892
  139   2HD2  ASN  18          2HD2      ASN  18  -9.323  -0.285  -8.143
  140    H    GLU  19           H        GLU  19  -3.135  -1.446  -7.806
  141    HA   GLU  19           HA       GLU  19  -2.278  -3.509  -9.548
  142   1HB   GLU  19          1HB       GLU  19  -1.386  -1.003  -8.977
  143   2HB   GLU  19          2HB       GLU  19  -0.195  -1.971  -8.123
  144   1HG   GLU  19          1HG       GLU  19   0.828  -1.839 -10.134
  145   2HG   GLU  19          2HG       GLU  19  -0.151  -3.276 -10.424
  146    H    TYR  20           H        TYR  20  -1.669  -2.809  -6.133
  147    HA   TYR  20           HA       TYR  20   0.068  -4.955  -5.587
  148   1HB   TYR  20          1HB       TYR  20  -0.114  -3.233  -3.964
  149   2HB   TYR  20          2HB       TYR  20  -1.861  -3.386  -3.879
  150    HD1  TYR  20           HD1      TYR  20   1.300  -4.530  -2.581
  151    HD2  TYR  20           HD2      TYR  20  -2.859  -5.394  -2.760
  152    HE1  TYR  20           HE1      TYR  20   1.537  -6.033  -0.645
  153    HE2  TYR  20           HE2      TYR  20  -2.638  -6.899  -0.827
  154    HH   TYR  20           HH       TYR  20   0.503  -7.687   0.540
  155    H    GLN  21           H        GLN  21  -3.447  -4.663  -5.338
  156    HA   GLN  21           HA       GLN  21  -3.967  -7.256  -4.403
  157   1HB   GLN  21          1HB       GLN  21  -5.676  -5.571  -4.273
  158   2HB   GLN  21          2HB       GLN  21  -5.667  -5.352  -6.018
  159   1HG   GLN  21          1HG       GLN  21  -6.843  -7.276  -6.408
  160   2HG   GLN  21          2HG       GLN  21  -6.327  -8.030  -4.901
  161   1HE2  GLN  21          1HE2      GLN  21  -7.361  -7.452  -2.966
  162   2HE2  GLN  21          2HE2      GLN  21  -8.918  -6.703  -2.963
  163    H    ARG  22           H        ARG  22  -4.008  -5.968  -7.723
  164    HA   ARG  22           HA       ARG  22  -4.732  -8.280  -9.067
  165   1HB   ARG  22          1HB       ARG  22  -4.605  -6.170 -10.228
  166   2HB   ARG  22          2HB       ARG  22  -2.878  -6.051  -9.918
  167   1HG   ARG  22          1HG       ARG  22  -2.622  -8.164 -11.284
  168   2HG   ARG  22          2HG       ARG  22  -4.302  -7.933 -11.772
  169   1HD   ARG  22          1HD       ARG  22  -3.408  -5.492 -12.308
  170   2HD   ARG  22          2HD       ARG  22  -1.882  -6.361 -12.467
  171    HE   ARG  22           HE       ARG  22  -2.645  -7.265 -14.422
  172   1HH1  ARG  22          1HH1      ARG  22  -5.348  -5.974 -12.644
  173   2HH1  ARG  22          2HH1      ARG  22  -6.479  -6.222 -13.932
  174   1HH2  ARG  22          1HH2      ARG  22  -4.126  -7.596 -16.123
  175   2HH2  ARG  22          2HH2      ARG  22  -5.784  -7.145 -15.910
  176    H    ARG  23           H        ARG  23  -1.451  -7.129  -8.307
  177    HA   ARG  23           HA       ARG  23  -0.102  -9.355  -9.380
  178   1HB   ARG  23          1HB       ARG  23   0.563  -7.022  -7.741
  179   2HB   ARG  23          2HB       ARG  23   1.546  -8.434  -7.372
  180   1HG   ARG  23          1HG       ARG  23   2.754  -7.299  -9.005
  181   2HG   ARG  23          2HG       ARG  23   1.942  -8.592  -9.892
  182   1HD   ARG  23          1HD       ARG  23   0.439  -7.143 -10.888
  183   2HD   ARG  23          2HD       ARG  23   0.641  -5.914  -9.640
  184    HE   ARG  23           HE       ARG  23   3.084  -6.135 -10.905
  185   1HH1  ARG  23          1HH1      ARG  23  -0.180  -5.301 -11.785
  186   2HH1  ARG  23          2HH1      ARG  23   0.300  -4.228 -13.058
  187   1HH2  ARG  23          1HH2      ARG  23   3.727  -4.726 -12.578
  188   2HH2  ARG  23          2HH2      ARG  23   2.521  -3.901 -13.508
  189    H    VAL  24           H        VAL  24  -0.610  -8.535  -5.944
  190    HA   VAL  24           HA       VAL  24   0.241 -10.897  -4.821
  191    HB   VAL  24           HB       VAL  24  -2.068  -9.207  -3.852
  192   1HG1  VAL  24          1HG1      VAL  24  -2.248 -11.023  -2.488
  193   2HG1  VAL  24          2HG1      VAL  24  -1.000 -10.139  -1.610
  194   3HG1  VAL  24          3HG1      VAL  24  -0.552 -11.472  -2.676
  195   1HG2  VAL  24          1HG2      VAL  24   0.674  -8.575  -4.136
  196   2HG2  VAL  24          2HG2      VAL  24   0.353  -8.782  -2.413
  197   3HG2  VAL  24          3HG2      VAL  24  -0.592  -7.627  -3.354
  198    H    ALA  25           H        ALA  25  -2.826 -10.186  -6.362
  199    HA   ALA  25           HA       ALA  25  -4.338 -12.358  -5.490
  200   1HB   ALA  25          1HB       ALA  25  -4.437 -10.474  -7.735
  201   2HB   ALA  25          2HB       ALA  25  -5.719 -11.030  -6.660
  202   3HB   ALA  25          3HB       ALA  25  -5.229 -12.022  -8.033
  203    H    ASP  26           H        ASP  26  -2.435 -12.088  -8.494
  204    HA   ASP  26           HA       ASP  26  -2.727 -14.827  -9.182
  205   1HB   ASP  26          1HB       ASP  26  -2.108 -12.813 -10.691
  206   2HB   ASP  26          2HB       ASP  26  -0.460 -13.091 -10.133
  207    H    GLY  27           H        GLY  27  -0.365 -13.010  -7.337
  208   1HA   GLY  27          1HA       GLY  27   0.717 -14.351  -5.543
  209   2HA   GLY  27          2HA       GLY  27   1.053 -15.545  -6.788
  210    H    GLU  28           H        GLU  28   1.344 -12.089  -7.311
  211    HA   GLU  28           HA       GLU  28   4.153 -12.453  -7.946
  212   1HB   GLU  28          1HB       GLU  28   2.587  -9.887  -8.149
  213   2HB   GLU  28          2HB       GLU  28   4.042 -10.345  -9.021
  214   1HG   GLU  28          1HG       GLU  28   2.402 -12.299  -9.838
  215   2HG   GLU  28          2HG       GLU  28   1.228 -11.017  -9.551
  216    H    ASP  29           H        ASP  29   5.758 -10.873  -7.188
  217    HA   ASP  29           HA       ASP  29   5.687 -10.631  -4.352
  218   1HB   ASP  29          1HB       ASP  29   7.654 -10.520  -6.387
  219   2HB   ASP  29          2HB       ASP  29   7.747  -9.000  -5.501
  220    HA   PRO  30           HA       PRO  30   3.360  -6.758  -4.436
  221   1HB   PRO  30          1HB       PRO  30   4.112  -6.728  -1.576
  222   2HB   PRO  30          2HB       PRO  30   2.519  -6.618  -2.327
  223   1HG   PRO  30          1HG       PRO  30   3.313  -8.847  -1.069
  224   2HG   PRO  30          2HG       PRO  30   2.291  -8.905  -2.519
  225   1HD   PRO  30          1HD       PRO  30   5.216  -9.442  -2.235
  226   2HD   PRO  30          2HD       PRO  30   4.014 -10.243  -3.267
  227    H    LYS  31           H        LYS  31   6.451  -7.191  -2.739
  228    HA   LYS  31           HA       LYS  31   7.213  -4.578  -2.357
  229   1HB   LYS  31          1HB       LYS  31   8.529  -7.158  -2.582
  230   2HB   LYS  31          2HB       LYS  31   9.535  -5.859  -3.199
  231   1HG   LYS  31          1HG       LYS  31   9.937  -5.043  -1.154
  232   2HG   LYS  31          2HG       LYS  31   8.260  -5.249  -0.640
  233   1HD   LYS  31          1HD       LYS  31   8.644  -7.610  -0.242
  234   2HD   LYS  31          2HD       LYS  31  10.297  -7.467  -0.843
  235   1HE   LYS  31          1HE       LYS  31  11.040  -6.745   1.128
  236   2HE   LYS  31          2HE       LYS  31   9.754  -5.545   1.248
  237   1HZ   LYS  31          1HZ       LYS  31   8.921  -6.794   2.863
  238   2HZ   LYS  31          2HZ       LYS  31   9.987  -8.068   2.543
  239   3HZ   LYS  31          3HZ       LYS  31   8.525  -7.955   1.698
  240    H    ASP  32           H        ASP  32   7.365  -6.526  -5.290
  241    HA   ASP  32           HA       ASP  32   8.663  -4.580  -6.909
  242   1HB   ASP  32          1HB       ASP  32   7.838  -7.222  -7.238
  243   2HB   ASP  32          2HB       ASP  32   6.820  -6.316  -8.353
  244    H    VAL  33           H        VAL  33   5.312  -5.379  -6.165
  245    HA   VAL  33           HA       VAL  33   4.044  -3.624  -7.941
  246    HB   VAL  33           HB       VAL  33   3.112  -4.403  -5.174
  247   1HG1  VAL  33          1HG1      VAL  33   1.174  -3.355  -5.571
  248   2HG1  VAL  33          2HG1      VAL  33   1.126  -3.883  -7.253
  249   3HG1  VAL  33          3HG1      VAL  33   2.074  -2.467  -6.800
  250   1HG2  VAL  33          1HG2      VAL  33   3.463  -6.412  -6.372
  251   2HG2  VAL  33          2HG2      VAL  33   2.785  -5.733  -7.852
  252   3HG2  VAL  33          3HG2      VAL  33   1.734  -6.079  -6.479
  253    H    LEU  34           H        LEU  34   5.247  -3.144  -4.634
  254    HA   LEU  34           HA       LEU  34   4.384  -0.580  -4.129
  255   1HB   LEU  34          1HB       LEU  34   6.880  -2.050  -3.385
  256   2HB   LEU  34          2HB       LEU  34   6.699  -0.366  -2.948
  257    HG   LEU  34           HG       LEU  34   6.058  -2.119  -1.197
  258   1HD1  LEU  34          1HD1      LEU  34   5.318   0.431  -1.541
  259   2HD1  LEU  34          2HD1      LEU  34   4.772  -0.560  -0.189
  260   3HD1  LEU  34          3HD1      LEU  34   3.735  -0.343  -1.598
  261   1HD2  LEU  34          1HD2      LEU  34   3.794  -2.407  -3.143
  262   2HD2  LEU  34          2HD2      LEU  34   3.601  -2.756  -1.427
  263   3HD2  LEU  34          3HD2      LEU  34   4.768  -3.667  -2.384
  264    H    ASP  35           H        ASP  35   7.206  -1.607  -5.992
  265    HA   ASP  35           HA       ASP  35   8.240   0.933  -6.551
  266   1HB   ASP  35          1HB       ASP  35   9.127  -1.511  -7.084
  267   2HB   ASP  35          2HB       ASP  35   8.356  -1.205  -8.637
  268    H    ASP  36           H        ASP  36   5.619  -0.902  -7.952
  269    HA   ASP  36           HA       ASP  36   5.204   0.964 -10.126
  270   1HB   ASP  36          1HB       ASP  36   4.227  -1.679  -9.373
  271   2HB   ASP  36          2HB       ASP  36   2.935  -0.631  -9.949
  272    H    LEU  37           H        LEU  37   3.625   0.092  -7.079
  273    HA   LEU  37           HA       LEU  37   1.336   1.577  -7.112
  274   1HB   LEU  37          1HB       LEU  37   3.291   0.915  -4.954
  275   2HB   LEU  37          2HB       LEU  37   1.975   2.011  -4.591
  276    HG   LEU  37           HG       LEU  37   1.152  -0.498  -5.895
  277   1HD1  LEU  37          1HD1      LEU  37   2.645  -1.660  -4.589
  278   2HD1  LEU  37          2HD1      LEU  37   1.255  -1.560  -3.508
  279   3HD1  LEU  37          3HD1      LEU  37   2.618  -0.459  -3.298
  280   1HD2  LEU  37          1HD2      LEU  37  -0.052   0.153  -3.358
  281   2HD2  LEU  37          2HD2      LEU  37  -0.782   0.068  -4.961
  282   3HD2  LEU  37          3HD2      LEU  37  -0.012   1.560  -4.421
  283    H    GLY  38           H        GLY  38   4.613   2.707  -6.482
  284   1HA   GLY  38          1HA       GLY  38   5.473   4.803  -6.970
  285   2HA   GLY  38          2HA       GLY  38   3.845   5.389  -7.263
  286    H    LEU  39           H        LEU  39   5.346   3.868  -4.416
  287    HA   LEU  39           HA       LEU  39   4.753   6.329  -2.916
  288   1HB   LEU  39          1HB       LEU  39   4.698   3.959  -1.252
  289   2HB   LEU  39          2HB       LEU  39   3.526   5.254  -1.388
  290    HG   LEU  39           HG       LEU  39   2.774   4.008  -3.540
  291   1HD1  LEU  39          1HD1      LEU  39   4.600   2.088  -2.235
  292   2HD1  LEU  39          2HD1      LEU  39   4.197   2.287  -3.938
  293   3HD1  LEU  39          3HD1      LEU  39   3.078   1.453  -2.856
  294   1HD2  LEU  39          1HD2      LEU  39   1.021   3.525  -2.279
  295   2HD2  LEU  39          2HD2      LEU  39   1.968   4.015  -0.875
  296   3HD2  LEU  39          3HD2      LEU  39   1.928   2.322  -1.366
  297    H    LYS  40           H        LYS  40   6.592   7.210  -2.254
  298    HA   LYS  40           HA       LYS  40   9.065   5.824  -2.185
  299   1HB   LYS  40          1HB       LYS  40   8.173   8.519  -1.976
  300   2HB   LYS  40          2HB       LYS  40   9.190   8.187  -0.581
  301   1HG   LYS  40          1HG       LYS  40  10.582   9.058  -2.291
  302   2HG   LYS  40          2HG       LYS  40  10.931   7.333  -2.158
  303   1HD   LYS  40          1HD       LYS  40   9.801   6.830  -4.143
  304   2HD   LYS  40          2HD       LYS  40   8.937   8.368  -4.145
  305   1HE   LYS  40          1HE       LYS  40  10.828   9.563  -4.825
  306   2HE   LYS  40          2HE       LYS  40  11.924   8.259  -4.375
  307   1HZ   LYS  40          1HZ       LYS  40   9.921   7.895  -6.514
  308   2HZ   LYS  40          2HZ       LYS  40  11.345   7.025  -6.239
  309   3HZ   LYS  40          3HZ       LYS  40  11.421   8.605  -6.836
  310    H    ARG  41           H        ARG  41  10.379   6.519   0.077
  311    HA   ARG  41           HA       ARG  41  10.866   5.628   2.127
  312   1HB   ARG  41          1HB       ARG  41   8.004   6.472   2.642
  313   2HB   ARG  41          2HB       ARG  41   9.206   6.142   3.882
  314   1HG   ARG  41          1HG       ARG  41   9.196   8.392   1.888
  315   2HG   ARG  41          2HG       ARG  41   9.052   8.495   3.644
  316   1HD   ARG  41          1HD       ARG  41  11.413   7.141   3.313
  317   2HD   ARG  41          2HD       ARG  41  11.429   8.275   1.964
  318    HE   ARG  41           HE       ARG  41  10.711   9.595   4.362
  319   1HH1  ARG  41          1HH1      ARG  41  13.442   8.219   2.697
  320   2HH1  ARG  41          2HH1      ARG  41  14.597   9.260   3.460
  321   1HH2  ARG  41          1HH2      ARG  41  12.222  10.974   5.373
  322   2HH2  ARG  41          2HH2      ARG  41  13.904  10.828   4.982
  323    H    TYR  42           H        TYR  42   9.642   4.258   4.031
  324    HA   TYR  42           HA       TYR  42   8.143   2.072   2.825
  325   1HB   TYR  42          1HB       TYR  42  10.802   1.725   3.043
  326   2HB   TYR  42          2HB       TYR  42  10.317   1.222   4.660
  327    HD1  TYR  42           HD1      TYR  42   8.647  -0.658   4.901
  328    HD2  TYR  42           HD2      TYR  42  10.472   0.313   1.179
  329    HE1  TYR  42           HE1      TYR  42   8.027  -2.869   4.025
  330    HE2  TYR  42           HE2      TYR  42   9.855  -1.895   0.294
  331    HH   TYR  42           HH       TYR  42   8.898  -3.867   0.728
  332    H    CYS  43           H        CYS  43   7.944   4.333   4.953
  333    HA   CYS  43           HA       CYS  43   7.449   2.930   7.395
  334   1HB   CYS  43          1HB       CYS  43   6.653   5.021   8.250
  335   2HB   CYS  43          2HB       CYS  43   8.059   5.361   7.246
  336    H    CYS  44           H        CYS  44   5.635   3.819   4.560
  337    HA   CYS  44           HA       CYS  44   3.104   2.915   5.705
  338   1HB   CYS  44          1HB       CYS  44   3.456   3.482   2.791
  339   2HB   CYS  44          2HB       CYS  44   2.054   3.754   3.812
  340    H    ARG  45           H        ARG  45   5.306   2.045   3.056
  341    HA   ARG  45           HA       ARG  45   4.065  -0.113   1.995
  342   1HB   ARG  45          1HB       ARG  45   7.015  -0.056   2.574
  343   2HB   ARG  45          2HB       ARG  45   6.213  -1.010   1.350
  344   1HG   ARG  45          1HG       ARG  45   7.328   1.584   1.137
  345   2HG   ARG  45          2HG       ARG  45   6.631   0.570  -0.113
  346   1HD   ARG  45          1HD       ARG  45   5.086   2.116  -0.401
  347   2HD   ARG  45          2HD       ARG  45   4.432   1.733   1.175
  348    HE   ARG  45           HE       ARG  45   6.624   3.510   1.412
  349   1HH1  ARG  45          1HH1      ARG  45   3.290   3.425   0.407
  350   2HH1  ARG  45          2HH1      ARG  45   3.011   5.101   0.748
  351   1HH2  ARG  45          1HH2      ARG  45   6.264   5.715   1.866
  352   2HH2  ARG  45          2HH2      ARG  45   4.700   6.401   1.577
  353    H    ARG  46           H        ARG  46   6.412  -0.360   4.682
  354    HA   ARG  46           HA       ARG  46   6.289  -3.022   5.222
  355   1HB   ARG  46          1HB       ARG  46   6.728  -2.436   7.603
  356   2HB   ARG  46          2HB       ARG  46   7.751  -1.571   6.463
  357   1HG   ARG  46          1HG       ARG  46   7.119   0.348   7.348
  358   2HG   ARG  46          2HG       ARG  46   5.445   0.004   6.907
  359   1HD   ARG  46          1HD       ARG  46   5.318  -1.383   9.021
  360   2HD   ARG  46          2HD       ARG  46   6.867  -0.671   9.469
  361    HE   ARG  46           HE       ARG  46   5.149   1.419   8.838
  362   1HH1  ARG  46          1HH1      ARG  46   5.401  -1.121  11.204
  363   2HH1  ARG  46          2HH1      ARG  46   4.581  -0.230  12.441
  364   1HH2  ARG  46          1HH2      ARG  46   4.066   2.605  10.459
  365   2HH2  ARG  46          2HH2      ARG  46   3.822   1.890  12.018
  366    H    MET  47           H        MET  47   3.859  -0.614   5.942
  367    HA   MET  47           HA       MET  47   2.217  -2.500   7.419
  368   1HB   MET  47          1HB       MET  47   1.716   0.362   6.584
  369   2HB   MET  47          2HB       MET  47   0.624  -0.597   7.571
  370   1HG   MET  47          1HG       MET  47   2.674  -0.876   9.126
  371   2HG   MET  47          2HG       MET  47   3.300   0.526   8.261
  372   1HE   MET  47          1HE       MET  47   0.649   3.147   8.697
  373   2HE   MET  47          2HE       MET  47  -0.411   1.804   8.273
  374   3HE   MET  47          3HE       MET  47   1.127   2.012   7.437
  375    H    LEU  48           H        LEU  48   2.452  -1.045   4.257
  376    HA   LEU  48           HA       LEU  48  -0.119  -1.962   3.371
  377   1HB   LEU  48          1HB       LEU  48   2.196  -0.987   1.701
  378   2HB   LEU  48          2HB       LEU  48   0.522  -1.114   1.197
  379    HG   LEU  48           HG       LEU  48   1.263   0.654   3.490
  380   1HD1  LEU  48          1HD1      LEU  48   1.127   1.791   0.750
  381   2HD1  LEU  48          2HD1      LEU  48   2.627   1.021   1.265
  382   3HD1  LEU  48          3HD1      LEU  48   1.974   2.381   2.178
  383   1HD2  LEU  48          1HD2      LEU  48  -0.978   0.483   1.510
  384   2HD2  LEU  48          2HD2      LEU  48  -0.684   1.942   2.455
  385   3HD2  LEU  48          3HD2      LEU  48  -1.050   0.422   3.271
  386    H    ILE  49           H        ILE  49   3.165  -2.692   2.157
  387    HA   ILE  49           HA       ILE  49   2.646  -4.773   0.515
  388    HB   ILE  49           HB       ILE  49   4.847  -5.817   1.288
  389   1HG1  ILE  49          1HG1      ILE  49   5.676  -3.347   2.576
  390   2HG1  ILE  49          2HG1      ILE  49   4.427  -4.184   3.498
  391   1HG2  ILE  49          1HG2      ILE  49   4.898  -4.515  -0.645
  392   2HG2  ILE  49          2HG2      ILE  49   6.139  -3.805   0.386
  393   3HG2  ILE  49          3HG2      ILE  49   4.564  -3.026   0.238
  394   1HD1  ILE  49          1HD1      ILE  49   6.885  -5.582   2.502
  395   2HD1  ILE  49          2HD1      ILE  49   5.754  -6.097   3.754
  396   3HD1  ILE  49          3HD1      ILE  49   6.833  -4.734   4.048
  397    H    SER  50           H        SER  50   2.592  -4.921   4.010
  398    HA   SER  50           HA       SER  50   2.392  -7.785   4.094
  399   1HB   SER  50          1HB       SER  50   2.619  -5.595   6.025
  400   2HB   SER  50          2HB       SER  50   1.554  -6.892   6.566
  401    HG   SER  50           HG       SER  50   3.259  -8.045   6.928
  402    H    HIS  51           H        HIS  51   0.145  -5.499   5.626
  403    HA   HIS  51           HA       HIS  51  -2.031  -7.330   5.093
  404   1HB   HIS  51          1HB       HIS  51  -1.778  -6.292   7.314
  405   2HB   HIS  51          2HB       HIS  51  -2.023  -4.704   6.596
  406    HD2  HIS  51           HD2      HIS  51  -4.426  -4.026   7.606
  407    HE1  HIS  51           HE1      HIS  51  -6.468  -7.558   6.474
  408    HE2  HIS  51           HE2      HIS  51  -6.714  -5.245   7.485
  409    H    VAL  52           H        VAL  52  -2.009  -3.779   4.890
  410    HA   VAL  52           HA       VAL  52  -3.214  -2.367   3.562
  411    HB   VAL  52           HB       VAL  52  -1.229  -2.933   2.170
  412   1HG1  VAL  52          1HG1      VAL  52  -1.571  -5.234   1.717
  413   2HG1  VAL  52          2HG1      VAL  52  -1.648  -4.381   0.174
  414   3HG1  VAL  52          3HG1      VAL  52  -3.133  -4.919   0.961
  415   1HG2  VAL  52          1HG2      VAL  52  -3.095  -1.276   1.581
  416   2HG2  VAL  52          2HG2      VAL  52  -3.595  -2.481   0.393
  417   3HG2  VAL  52          3HG2      VAL  52  -1.985  -1.770   0.303
  418    H    GLU  53           H        GLU  53  -4.695  -4.705   4.551
  419    HA   GLU  53           HA       GLU  53  -6.764  -5.625   4.342
  420   1HB   GLU  53          1HB       GLU  53  -6.915  -3.086   3.080
  421   2HB   GLU  53          2HB       GLU  53  -7.820  -4.218   2.085
  422   1HG   GLU  53          1HG       GLU  53  -8.869  -4.933   4.358
  423   2HG   GLU  53          2HG       GLU  53  -8.309  -3.348   4.886
  424    H    THR  54           H        THR  54  -6.674  -7.654   3.633
  425    HA   THR  54           HA       THR  54  -6.953  -8.169   0.794
  426    HB   THR  54           HB       THR  54  -5.115  -9.839   0.752
  427    HG1  THR  54           HG1      THR  54  -3.479  -9.373   2.511
  428   1HG2  THR  54          1HG2      THR  54  -4.276  -7.008   1.384
  429   2HG2  THR  54          2HG2      THR  54  -4.739  -7.633  -0.198
  430   3HG2  THR  54          3HG2      THR  54  -3.269  -8.214   0.583
  431    H    TRP  55           H        TRP  55  -8.328  -9.803   0.475
  432    HA   TRP  55           HA       TRP  55  -8.816 -11.657   2.714
  433   1HB   TRP  55          1HB       TRP  55 -10.656 -10.101   1.020
  434   2HB   TRP  55          2HB       TRP  55 -11.110 -11.788   1.237
  435    HD1  TRP  55           HD1      TRP  55  -9.390  -9.943   4.094
  436    HE1  TRP  55           HE1      TRP  55 -11.072  -9.643   6.019
  437    HE3  TRP  55           HE3      TRP  55 -13.628 -11.548   1.727
  438    HZ2  TRP  55           HZ2      TRP  55 -13.830 -10.035   6.474
  439    HZ3  TRP  55           HZ3      TRP  55 -15.746 -11.554   2.977
  440    HH2  TRP  55           HH2      TRP  55 -15.843 -10.812   5.301
  Start of MODEL   13
    1    H    MET   1           H        MET   1  -7.262   4.202   0.217
    2    HA   MET   1           HA       MET   1  -5.826   2.794   2.106
    3   1HB   MET   1          1HB       MET   1  -4.482   4.893   2.386
    4   2HB   MET   1          2HB       MET   1  -4.697   4.381   0.719
    5   1HG   MET   1          1HG       MET   1  -5.321   6.470   0.308
    6   2HG   MET   1          2HG       MET   1  -6.829   6.066   1.127
    7   1HE   MET   1          1HE       MET   1  -3.129   8.082   2.544
    8   2HE   MET   1          2HE       MET   1  -3.288   6.406   2.019
    9   3HE   MET   1          3HE       MET   1  -3.442   6.813   3.729
   10    H    ILE   2           H        ILE   2  -4.943   4.139   4.146
   11    HA   ILE   2           HA       ILE   2  -7.321   4.697   5.792
   12    HB   ILE   2           HB       ILE   2  -4.645   3.557   6.605
   13   1HG1  ILE   2          1HG1      ILE   2  -6.049   1.592   7.273
   14   2HG1  ILE   2          2HG1      ILE   2  -7.428   2.378   6.513
   15   1HG2  ILE   2          1HG2      ILE   2  -7.013   3.956   8.412
   16   2HG2  ILE   2          2HG2      ILE   2  -5.698   5.125   8.286
   17   3HG2  ILE   2          3HG2      ILE   2  -5.370   3.487   8.847
   18   1HD1  ILE   2          1HD1      ILE   2  -6.692   1.949   4.415
   19   2HD1  ILE   2          2HD1      ILE   2  -5.968   0.580   5.257
   20   3HD1  ILE   2          3HD1      ILE   2  -4.992   1.999   4.878
   21    HA   PRO   3           HA       PRO   3  -5.639   8.796   6.354
   22   1HB   PRO   3          1HB       PRO   3  -7.122   9.600   8.422
   23   2HB   PRO   3          2HB       PRO   3  -7.878   9.299   6.849
   24   1HG   PRO   3          1HG       PRO   3  -7.676   7.459   9.226
   25   2HG   PRO   3          2HG       PRO   3  -9.132   7.915   8.307
   26   1HD   PRO   3          1HD       PRO   3  -7.815   5.618   7.807
   27   2HD   PRO   3          2HD       PRO   3  -8.561   6.561   6.499
   28    H    VAL   4           H        VAL   4  -4.840  10.121   8.375
   29    HA   VAL   4           HA       VAL   4  -3.411  10.300  10.141
   30    HB   VAL   4           HB       VAL   4  -5.039   7.887  10.750
   31   1HG1  VAL   4          1HG1      VAL   4  -3.179   6.876  11.663
   32   2HG1  VAL   4          2HG1      VAL   4  -3.762   7.821  13.038
   33   3HG1  VAL   4          3HG1      VAL   4  -2.410   8.413  12.071
   34   1HG2  VAL   4          1HG2      VAL   4  -5.185   9.346  12.937
   35   2HG2  VAL   4          2HG2      VAL   4  -6.087   9.769  11.482
   36   3HG2  VAL   4          3HG2      VAL   4  -4.578  10.603  11.858
   37    H    ARG   5           H        ARG   5  -3.233   6.794   9.728
   38    HA   ARG   5           HA       ARG   5  -0.518   6.528  10.061
   39   1HB   ARG   5          1HB       ARG   5  -2.666   4.867   9.523
   40   2HB   ARG   5          2HB       ARG   5  -1.591   4.606   8.150
   41   1HG   ARG   5          1HG       ARG   5  -1.045   2.993   9.807
   42   2HG   ARG   5          2HG       ARG   5   0.251   4.192   9.805
   43   1HD   ARG   5          1HD       ARG   5  -1.863   4.925  11.630
   44   2HD   ARG   5          2HD       ARG   5  -1.229   3.321  11.997
   45    HE   ARG   5           HE       ARG   5   1.018   4.748  11.718
   46   1HH1  ARG   5          1HH1      ARG   5  -1.904   5.369  13.515
   47   2HH1  ARG   5          2HH1      ARG   5  -1.103   6.287  14.745
   48   1HH2  ARG   5          1HH2      ARG   5   2.077   5.954  13.333
   49   2HH2  ARG   5          2HH2      ARG   5   1.159   6.620  14.642
   50    H    CYS   6           H        CYS   6   0.667   5.215   8.058
   51    HA   CYS   6           HA       CYS   6   0.939   7.282   5.986
   52   1HB   CYS   6          1HB       CYS   6   2.849   5.851   7.601
   53   2HB   CYS   6          2HB       CYS   6   3.165   5.564   5.893
   54    H    LEU   7           H        LEU   7  -0.365   6.669   4.373
   55    HA   LEU   7           HA       LEU   7   0.318   4.182   3.009
   56   1HB   LEU   7          1HB       LEU   7  -2.503   5.131   3.496
   57   2HB   LEU   7          2HB       LEU   7  -2.061   3.775   2.482
   58    HG   LEU   7           HG       LEU   7  -2.789   2.730   4.402
   59   1HD1  LEU   7          1HD1      LEU   7  -1.025   1.484   4.867
   60   2HD1  LEU   7          2HD1      LEU   7  -0.225   2.810   5.703
   61   3HD1  LEU   7          3HD1      LEU   7  -0.044   2.627   3.961
   62   1HD2  LEU   7          1HD2      LEU   7  -1.332   4.608   6.222
   63   2HD2  LEU   7          2HD2      LEU   7  -2.700   3.550   6.573
   64   3HD2  LEU   7          3HD2      LEU   7  -2.931   4.993   5.586
   65    H    SER   8           H        SER   8   1.194   6.781   2.526
   66    HA   SER   8           HA       SER   8   0.649   7.070  -0.216
   67   1HB   SER   8          1HB       SER   8  -0.861   8.876   1.653
   68   2HB   SER   8          2HB       SER   8  -0.368   9.456   0.062
   69    HG   SER   8           HG       SER   8  -2.472   8.513   0.071
   70    H    CYS   9           H        CYS   9   1.389   9.130   2.602
   71    HA   CYS   9           HA       CYS   9   3.159  10.473   3.085
   72   1HB   CYS   9          1HB       CYS   9   4.250   8.145   1.800
   73   2HB   CYS   9          2HB       CYS   9   5.201   9.557   1.354
   74    H    GLY  10           H        GLY  10   1.380  11.010   0.713
   75   1HA   GLY  10          1HA       GLY  10   1.595  13.319  -0.212
   76   2HA   GLY  10          2HA       GLY  10   3.208  12.839  -0.717
   77    H    LYS  11           H        LYS  11   2.056  10.104  -1.361
   78    HA   LYS  11           HA       LYS  11   0.823  10.856  -3.926
   79   1HB   LYS  11          1HB       LYS  11   3.104   9.136  -3.276
   80   2HB   LYS  11          2HB       LYS  11   1.943   8.382  -4.363
   81   1HG   LYS  11          1HG       LYS  11   3.691   9.499  -5.611
   82   2HG   LYS  11          2HG       LYS  11   2.140  10.302  -5.876
   83   1HD   LYS  11          1HD       LYS  11   3.244  11.562  -3.650
   84   2HD   LYS  11          2HD       LYS  11   4.590  11.356  -4.771
   85   1HE   LYS  11          1HE       LYS  11   2.823  12.241  -6.518
   86   2HE   LYS  11          2HE       LYS  11   2.085  12.936  -5.075
   87   1HZ   LYS  11          1HZ       LYS  11   4.901  13.365  -5.915
   88   2HZ   LYS  11          2HZ       LYS  11   4.129  14.085  -4.593
   89   3HZ   LYS  11          3HZ       LYS  11   3.637  14.460  -6.167
   90    HA   PRO  12           HA       PRO  12  -2.632   8.390  -2.639
   91   1HB   PRO  12          1HB       PRO  12  -3.693   7.869  -5.101
   92   2HB   PRO  12          2HB       PRO  12  -3.890   9.409  -4.256
   93   1HG   PRO  12          1HG       PRO  12  -1.962   8.670  -6.424
   94   2HG   PRO  12          2HG       PRO  12  -2.909  10.157  -6.228
   95   1HD   PRO  12          1HD       PRO  12  -0.298  10.033  -5.573
   96   2HD   PRO  12          2HD       PRO  12  -1.450  11.026  -4.657
   97    H    VAL  13           H        VAL  13  -2.746   6.303  -2.107
   98    HA   VAL  13           HA       VAL  13  -1.269   4.369  -3.756
   99    HB   VAL  13           HB       VAL  13  -0.929   3.017  -1.843
  100   1HG1  VAL  13          1HG1      VAL  13   0.640   4.773  -1.865
  101   2HG1  VAL  13          2HG1      VAL  13   0.079   4.671  -0.194
  102   3HG1  VAL  13          3HG1      VAL  13  -0.536   5.938  -1.257
  103   1HG2  VAL  13          1HG2      VAL  13  -1.904   3.454   0.347
  104   2HG2  VAL  13          2HG2      VAL  13  -3.171   3.211  -0.858
  105   3HG2  VAL  13          3HG2      VAL  13  -2.782   4.839  -0.306
  106    H    SER  14           H        SER  14  -4.400   5.274  -2.710
  107    HA   SER  14           HA       SER  14  -5.742   2.825  -2.706
  108   1HB   SER  14          1HB       SER  14  -7.015   5.342  -3.755
  109   2HB   SER  14          2HB       SER  14  -7.732   4.065  -2.766
  110    HG   SER  14           HG       SER  14  -6.041   4.832  -1.164
  111    H    ALA  15           H        ALA  15  -5.343   5.157  -5.376
  112    HA   ALA  15           HA       ALA  15  -6.671   3.636  -7.323
  113   1HB   ALA  15          1HB       ALA  15  -6.225   5.371  -8.652
  114   2HB   ALA  15          2HB       ALA  15  -4.487   5.238  -8.384
  115   3HB   ALA  15          3HB       ALA  15  -5.491   6.120  -7.234
  116    H    TYR  16           H        TYR  16  -3.411   3.492  -6.090
  117    HA   TYR  16           HA       TYR  16  -2.509   1.727  -8.199
  118   1HB   TYR  16          1HB       TYR  16  -1.275   3.137  -5.893
  119   2HB   TYR  16          2HB       TYR  16  -0.490   1.663  -6.445
  120    HD1  TYR  16           HD1      TYR  16  -0.946   5.161  -7.025
  121    HD2  TYR  16           HD2      TYR  16   0.158   1.512  -8.917
  122    HE1  TYR  16           HE1      TYR  16   0.141   6.432  -8.828
  123    HE2  TYR  16           HE2      TYR  16   1.249   2.775 -10.725
  124    HH   TYR  16           HH       TYR  16   2.061   4.852 -11.293
  125    H    PHE  17           H        PHE  17  -3.786   1.508  -4.980
  126    HA   PHE  17           HA       PHE  17  -2.861  -0.895  -4.045
  127   1HB   PHE  17          1HB       PHE  17  -5.452   0.545  -3.785
  128   2HB   PHE  17          2HB       PHE  17  -5.415  -1.135  -3.270
  129    HD1  PHE  17           HD1      PHE  17  -2.268   0.536  -2.874
  130    HD2  PHE  17           HD2      PHE  17  -6.062  -0.109  -1.050
  131    HE1  PHE  17           HE1      PHE  17  -1.337   1.215  -0.702
  132    HE2  PHE  17           HE2      PHE  17  -5.133   0.570   1.124
  133    HZ   PHE  17           HZ       PHE  17  -2.769   1.233   1.300
  134    H    ASN  18           H        ASN  18  -4.997  -0.333  -6.727
  135    HA   ASN  18           HA       ASN  18  -6.088  -2.917  -6.996
  136   1HB   ASN  18          1HB       ASN  18  -6.451  -0.568  -8.303
  137   2HB   ASN  18          2HB       ASN  18  -5.471  -1.433  -9.484
  138   1HD2  ASN  18          1HD2      ASN  18  -7.627  -1.021 -10.600
  139   2HD2  ASN  18          2HD2      ASN  18  -8.790  -2.302 -10.494
  140    H    GLU  19           H        GLU  19  -3.069  -1.470  -8.060
  141    HA   GLU  19           HA       GLU  19  -2.163  -3.559  -9.714
  142   1HB   GLU  19          1HB       GLU  19  -1.227  -1.128  -9.242
  143   2HB   GLU  19          2HB       GLU  19  -0.248  -1.973  -8.052
  144   1HG   GLU  19          1HG       GLU  19   0.115  -3.532 -10.245
  145   2HG   GLU  19          2HG       GLU  19  -0.054  -1.934 -10.969
  146    H    TYR  20           H        TYR  20  -1.536  -2.839  -6.301
  147    HA   TYR  20           HA       TYR  20   0.020  -5.091  -5.709
  148   1HB   TYR  20          1HB       TYR  20  -0.094  -3.256  -4.159
  149   2HB   TYR  20          2HB       TYR  20  -1.833  -3.437  -3.982
  150    HD1  TYR  20           HD1      TYR  20   1.417  -4.534  -2.848
  151    HD2  TYR  20           HD2      TYR  20  -2.742  -5.415  -2.764
  152    HE1  TYR  20           HE1      TYR  20   1.775  -6.002  -0.908
  153    HE2  TYR  20           HE2      TYR  20  -2.398  -6.888  -0.825
  154    HH   TYR  20           HH       TYR  20   0.523  -8.055   0.101
  155    H    GLN  21           H        GLN  21  -3.468  -4.561  -5.486
  156    HA   GLN  21           HA       GLN  21  -4.179  -7.041  -4.405
  157   1HB   GLN  21          1HB       GLN  21  -5.747  -5.186  -4.489
  158   2HB   GLN  21          2HB       GLN  21  -5.734  -5.216  -6.248
  159   1HG   GLN  21          1HG       GLN  21  -7.196  -6.905  -6.359
  160   2HG   GLN  21          2HG       GLN  21  -6.478  -7.755  -4.992
  161   1HE2  GLN  21          1HE2      GLN  21  -7.742  -4.467  -5.107
  162   2HE2  GLN  21          2HE2      GLN  21  -8.999  -4.716  -3.947
  163    H    ARG  22           H        ARG  22  -4.271  -6.004  -7.817
  164    HA   ARG  22           HA       ARG  22  -4.967  -8.450  -8.931
  165   1HB   ARG  22          1HB       ARG  22  -5.005  -6.425 -10.248
  166   2HB   ARG  22          2HB       ARG  22  -3.267  -6.224 -10.067
  167   1HG   ARG  22          1HG       ARG  22  -2.809  -8.067 -11.469
  168   2HG   ARG  22          2HG       ARG  22  -4.490  -8.603 -11.432
  169   1HD   ARG  22          1HD       ARG  22  -4.974  -6.264 -12.468
  170   2HD   ARG  22          2HD       ARG  22  -3.266  -6.307 -12.902
  171    HE   ARG  22           HE       ARG  22  -3.780  -7.798 -14.546
  172   1HH1  ARG  22          1HH1      ARG  22  -6.347  -7.816 -12.194
  173   2HH1  ARG  22          2HH1      ARG  22  -7.355  -8.884 -13.111
  174   1HH2  ARG  22          1HH2      ARG  22  -5.099  -9.206 -15.763
  175   2HH2  ARG  22          2HH2      ARG  22  -6.646  -9.675 -15.140
  176    H    ARG  23           H        ARG  23  -1.705  -7.094  -8.460
  177    HA   ARG  23           HA       ARG  23  -0.298  -9.309  -9.449
  178   1HB   ARG  23          1HB       ARG  23   0.338  -6.895  -7.894
  179   2HB   ARG  23          2HB       ARG  23   1.415  -8.253  -7.593
  180   1HG   ARG  23          1HG       ARG  23   2.370  -6.940  -9.325
  181   2HG   ARG  23          2HG       ARG  23   1.764  -8.425 -10.058
  182   1HD   ARG  23          1HD       ARG  23  -0.042  -7.342 -11.054
  183   2HD   ARG  23          2HD       ARG  23   0.075  -5.953  -9.973
  184    HE   ARG  23           HE       ARG  23   1.554  -5.011 -11.431
  185   1HH1  ARG  23          1HH1      ARG  23   1.413  -8.436 -12.047
  186   2HH1  ARG  23          2HH1      ARG  23   2.422  -8.357 -13.453
  187   1HH2  ARG  23          1HH2      ARG  23   2.884  -4.894 -13.280
  188   2HH2  ARG  23          2HH2      ARG  23   3.258  -6.342 -14.155
  189    H    VAL  24           H        VAL  24  -0.556  -8.356  -6.021
  190    HA   VAL  24           HA       VAL  24   0.394 -10.667  -4.883
  191    HB   VAL  24           HB       VAL  24  -1.834  -8.947  -3.785
  192   1HG1  VAL  24          1HG1      VAL  24   0.011 -10.939  -2.487
  193   2HG1  VAL  24          2HG1      VAL  24  -1.752 -10.962  -2.532
  194   3HG1  VAL  24          3HG1      VAL  24  -0.909  -9.737  -1.583
  195   1HG2  VAL  24          1HG2      VAL  24   0.679  -8.432  -2.571
  196   2HG2  VAL  24          2HG2      VAL  24  -0.329  -7.339  -3.519
  197   3HG2  VAL  24          3HG2      VAL  24   0.886  -8.336  -4.319
  198    H    ALA  25           H        ALA  25  -2.739 -10.083  -6.293
  199    HA   ALA  25           HA       ALA  25  -4.153 -12.235  -5.161
  200   1HB   ALA  25          1HB       ALA  25  -5.494 -10.666  -6.214
  201   2HB   ALA  25          2HB       ALA  25  -5.521 -12.020  -7.342
  202   3HB   ALA  25          3HB       ALA  25  -4.487 -10.628  -7.662
  203    H    ASP  26           H        ASP  26  -2.377 -11.988  -8.236
  204    HA   ASP  26           HA       ASP  26  -2.774 -14.748  -8.886
  205   1HB   ASP  26          1HB       ASP  26  -2.430 -12.924 -10.576
  206   2HB   ASP  26          2HB       ASP  26  -0.748 -12.833 -10.060
  207    H    GLY  27           H        GLY  27  -0.350 -12.909  -7.190
  208   1HA   GLY  27          1HA       GLY  27   0.933 -14.233  -5.541
  209   2HA   GLY  27          2HA       GLY  27   1.196 -15.402  -6.826
  210    H    GLU  28           H        GLU  28   1.333 -11.997  -7.514
  211    HA   GLU  28           HA       GLU  28   4.091 -12.263  -8.313
  212   1HB   GLU  28          1HB       GLU  28   2.281  -9.843  -8.408
  213   2HB   GLU  28          2HB       GLU  28   3.833 -10.010  -9.216
  214   1HG   GLU  28          1HG       GLU  28   2.509 -12.171 -10.177
  215   2HG   GLU  28          2HG       GLU  28   1.192 -11.016  -9.977
  216    H    ASP  29           H        ASP  29   5.808 -10.958  -7.567
  217    HA   ASP  29           HA       ASP  29   5.985 -10.646  -4.797
  218   1HB   ASP  29          1HB       ASP  29   7.688 -10.269  -7.071
  219   2HB   ASP  29          2HB       ASP  29   7.848  -8.878  -6.002
  220    HA   PRO  30           HA       PRO  30   3.448  -6.889  -4.590
  221   1HB   PRO  30          1HB       PRO  30   4.234  -7.060  -1.745
  222   2HB   PRO  30          2HB       PRO  30   2.626  -6.947  -2.466
  223   1HG   PRO  30          1HG       PRO  30   3.502  -9.241  -1.402
  224   2HG   PRO  30          2HG       PRO  30   2.483  -9.221  -2.855
  225   1HD   PRO  30          1HD       PRO  30   5.433  -9.647  -2.613
  226   2HD   PRO  30          2HD       PRO  30   4.263 -10.437  -3.689
  227    H    LYS  31           H        LYS  31   6.513  -7.309  -2.821
  228    HA   LYS  31           HA       LYS  31   7.171  -4.691  -2.319
  229   1HB   LYS  31          1HB       LYS  31   8.557  -7.192  -2.442
  230   2HB   LYS  31          2HB       LYS  31   9.547  -5.952  -3.194
  231   1HG   LYS  31          1HG       LYS  31   8.290  -5.357  -0.564
  232   2HG   LYS  31          2HG       LYS  31   9.685  -6.438  -0.615
  233   1HD   LYS  31          1HD       LYS  31  10.921  -4.575  -0.540
  234   2HD   LYS  31          2HD       LYS  31  10.474  -4.370  -2.235
  235   1HE   LYS  31          1HE       LYS  31   9.913  -2.320  -1.321
  236   2HE   LYS  31          2HE       LYS  31   8.378  -3.185  -1.288
  237   1HZ   LYS  31          1HZ       LYS  31   9.264  -1.917   0.806
  238   2HZ   LYS  31          2HZ       LYS  31  10.114  -3.356   1.065
  239   3HZ   LYS  31          3HZ       LYS  31   8.425  -3.377   0.967
  240    H    ASP  32           H        ASP  32   7.539  -6.499  -5.329
  241    HA   ASP  32           HA       ASP  32   8.840  -4.444  -6.794
  242   1HB   ASP  32          1HB       ASP  32   8.100  -7.070  -7.305
  243   2HB   ASP  32          2HB       ASP  32   7.048  -6.136  -8.368
  244    H    VAL  33           H        VAL  33   5.470  -5.389  -6.314
  245    HA   VAL  33           HA       VAL  33   4.244  -3.548  -8.009
  246    HB   VAL  33           HB       VAL  33   3.201  -4.513  -5.340
  247   1HG1  VAL  33          1HG1      VAL  33   1.221  -3.561  -5.809
  248   2HG1  VAL  33          2HG1      VAL  33   1.335  -3.932  -7.530
  249   3HG1  VAL  33          3HG1      VAL  33   2.170  -2.523  -6.873
  250   1HG2  VAL  33          1HG2      VAL  33   3.232  -5.748  -8.059
  251   2HG2  VAL  33          2HG2      VAL  33   1.913  -6.097  -6.940
  252   3HG2  VAL  33          3HG2      VAL  33   3.576  -6.479  -6.491
  253    H    LEU  34           H        LEU  34   5.276  -3.236  -4.627
  254    HA   LEU  34           HA       LEU  34   4.285  -0.738  -4.015
  255   1HB   LEU  34          1HB       LEU  34   6.780  -2.176  -3.206
  256   2HB   LEU  34          2HB       LEU  34   6.522  -0.525  -2.687
  257    HG   LEU  34           HG       LEU  34   5.839  -2.369  -1.068
  258   1HD1  LEU  34          1HD1      LEU  34   3.419  -0.779  -1.444
  259   2HD1  LEU  34          2HD1      LEU  34   4.908   0.166  -1.470
  260   3HD1  LEU  34          3HD1      LEU  34   4.533  -0.850  -0.078
  261   1HD2  LEU  34          1HD2      LEU  34   3.438  -3.116  -1.495
  262   2HD2  LEU  34          2HD2      LEU  34   4.716  -3.928  -2.396
  263   3HD2  LEU  34          3HD2      LEU  34   3.734  -2.689  -3.179
  264    H    ASP  35           H        ASP  35   7.228  -1.565  -5.786
  265    HA   ASP  35           HA       ASP  35   8.210   1.042  -6.109
  266   1HB   ASP  35          1HB       ASP  35   9.181  -1.372  -6.756
  267   2HB   ASP  35          2HB       ASP  35   8.566  -0.902  -8.339
  268    H    ASP  36           H        ASP  36   5.712  -0.763  -7.716
  269    HA   ASP  36           HA       ASP  36   5.378   1.192  -9.834
  270   1HB   ASP  36          1HB       ASP  36   4.134  -1.441  -9.134
  271   2HB   ASP  36          2HB       ASP  36   3.254  -0.347 -10.195
  272    H    LEU  37           H        LEU  37   3.709   0.150  -6.902
  273    HA   LEU  37           HA       LEU  37   1.359   1.567  -7.050
  274   1HB   LEU  37          1HB       LEU  37   3.146   0.803  -4.774
  275   2HB   LEU  37          2HB       LEU  37   1.746   1.809  -4.466
  276    HG   LEU  37           HG       LEU  37   1.154  -0.611  -6.020
  277   1HD1  LEU  37          1HD1      LEU  37   2.467  -0.745  -3.350
  278   2HD1  LEU  37          2HD1      LEU  37   2.605  -1.833  -4.731
  279   3HD1  LEU  37          3HD1      LEU  37   1.163  -1.869  -3.719
  280   1HD2  LEU  37          1HD2      LEU  37  -0.221   1.245  -4.496
  281   2HD2  LEU  37          2HD2      LEU  37  -0.214  -0.208  -3.497
  282   3HD2  LEU  37          3HD2      LEU  37  -0.859  -0.269  -5.137
  283    H    GLY  38           H        GLY  38   4.554   2.703  -6.083
  284   1HA   GLY  38          1HA       GLY  38   5.427   4.823  -6.012
  285   2HA   GLY  38          2HA       GLY  38   3.984   5.385  -6.841
  286    H    LEU  39           H        LEU  39   4.771   4.018  -3.644
  287    HA   LEU  39           HA       LEU  39   2.977   6.000  -2.441
  288   1HB   LEU  39          1HB       LEU  39   4.201   3.723  -0.934
  289   2HB   LEU  39          2HB       LEU  39   2.687   4.554  -0.643
  290    HG   LEU  39           HG       LEU  39   2.038   3.493  -2.969
  291   1HD1  LEU  39          1HD1      LEU  39   3.084   1.060  -2.736
  292   2HD1  LEU  39          2HD1      LEU  39   4.441   1.993  -2.106
  293   3HD1  LEU  39          3HD1      LEU  39   3.825   2.317  -3.727
  294   1HD2  LEU  39          1HD2      LEU  39   1.239   3.086  -0.486
  295   2HD2  LEU  39          2HD2      LEU  39   2.054   1.541  -0.736
  296   3HD2  LEU  39          3HD2      LEU  39   0.741   2.028  -1.806
  297    H    LYS  40           H        LYS  40   6.297   5.085  -2.685
  298    HA   LYS  40           HA       LYS  40   8.209   6.085  -1.968
  299   1HB   LYS  40          1HB       LYS  40   6.497   8.315  -0.881
  300   2HB   LYS  40          2HB       LYS  40   8.182   8.393  -1.373
  301   1HG   LYS  40          1HG       LYS  40   6.089   7.662  -3.370
  302   2HG   LYS  40          2HG       LYS  40   6.332   9.352  -2.918
  303   1HD   LYS  40          1HD       LYS  40   8.808   8.939  -3.414
  304   2HD   LYS  40          2HD       LYS  40   8.271   7.461  -4.216
  305   1HE   LYS  40          1HE       LYS  40   7.203   8.598  -5.900
  306   2HE   LYS  40          2HE       LYS  40   6.943  10.035  -4.910
  307   1HZ   LYS  40          1HZ       LYS  40   9.038  10.814  -5.326
  308   2HZ   LYS  40          2HZ       LYS  40   8.718  10.034  -6.793
  309   3HZ   LYS  40          3HZ       LYS  40   9.688   9.281  -5.629
  310    H    ARG  41           H        ARG  41   9.499   6.088  -0.151
  311    HA   ARG  41           HA       ARG  41  10.137   5.587   1.972
  312   1HB   ARG  41          1HB       ARG  41   7.462   6.850   2.586
  313   2HB   ARG  41          2HB       ARG  41   8.615   6.366   3.825
  314   1HG   ARG  41          1HG       ARG  41   9.882   8.007   1.821
  315   2HG   ARG  41          2HG       ARG  41   8.475   8.815   2.514
  316   1HD   ARG  41          1HD       ARG  41   9.788   9.390   4.217
  317   2HD   ARG  41          2HD       ARG  41   9.741   7.696   4.702
  318    HE   ARG  41           HE       ARG  41  11.917   7.482   4.035
  319   1HH1  ARG  41          1HH1      ARG  41  10.592  10.396   2.663
  320   2HH1  ARG  41          2HH1      ARG  41  12.111  10.950   2.045
  321   1HH2  ARG  41          1HH2      ARG  41  13.924   8.202   3.225
  322   2HH2  ARG  41          2HH2      ARG  41  14.006   9.703   2.364
  323    H    TYR  42           H        TYR  42  10.132   3.817   3.279
  324    HA   TYR  42           HA       TYR  42   8.271   1.722   2.607
  325   1HB   TYR  42          1HB       TYR  42   9.688   0.274   3.891
  326   2HB   TYR  42          2HB       TYR  42  10.739   1.356   2.982
  327    HD1  TYR  42           HD1      TYR  42  12.214   2.857   4.091
  328    HD2  TYR  42           HD2      TYR  42   9.350   0.649   6.332
  329    HE1  TYR  42           HE1      TYR  42  13.338   3.525   6.174
  330    HE2  TYR  42           HE2      TYR  42  10.466   1.311   8.421
  331    HH   TYR  42           HH       TYR  42  13.039   3.673   8.462
  332    H    CYS  43           H        CYS  43   8.514   4.118   5.046
  333    HA   CYS  43           HA       CYS  43   7.404   2.995   7.281
  334   1HB   CYS  43          1HB       CYS  43   6.391   5.233   7.724
  335   2HB   CYS  43          2HB       CYS  43   8.088   5.307   7.258
  336    H    CYS  44           H        CYS  44   5.853   3.750   4.250
  337    HA   CYS  44           HA       CYS  44   3.203   3.092   5.262
  338   1HB   CYS  44          1HB       CYS  44   3.816   3.489   2.354
  339   2HB   CYS  44          2HB       CYS  44   2.345   3.889   3.246
  340    H    ARG  45           H        ARG  45   5.332   1.926   2.651
  341    HA   ARG  45           HA       ARG  45   4.013  -0.290   1.832
  342   1HB   ARG  45          1HB       ARG  45   6.981  -0.370   2.335
  343   2HB   ARG  45          2HB       ARG  45   6.076  -1.184   1.069
  344   1HG   ARG  45          1HG       ARG  45   5.491   1.128   0.205
  345   2HG   ARG  45          2HG       ARG  45   6.739   1.730   1.298
  346   1HD   ARG  45          1HD       ARG  45   7.672  -0.523  -0.263
  347   2HD   ARG  45          2HD       ARG  45   7.101   0.791  -1.292
  348    HE   ARG  45           HE       ARG  45   8.731   1.916   0.658
  349   1HH1  ARG  45          1HH1      ARG  45   9.011  -0.318  -1.999
  350   2HH1  ARG  45          2HH1      ARG  45  10.665   0.078  -2.328
  351   1HH2  ARG  45          1HH2      ARG  45  10.909   2.446   0.234
  352   2HH2  ARG  45          2HH2      ARG  45  11.744   1.650  -1.058
  353    H    ARG  46           H        ARG  46   6.388  -0.315   4.502
  354    HA   ARG  46           HA       ARG  46   6.370  -2.882   5.299
  355   1HB   ARG  46          1HB       ARG  46   6.807  -2.161   7.558
  356   2HB   ARG  46          2HB       ARG  46   7.585  -1.046   6.443
  357   1HG   ARG  46          1HG       ARG  46   5.596   0.462   6.732
  358   2HG   ARG  46          2HG       ARG  46   5.068  -0.612   8.028
  359   1HD   ARG  46          1HD       ARG  46   7.245  -0.235   9.156
  360   2HD   ARG  46          2HD       ARG  46   7.645   0.945   7.909
  361    HE   ARG  46           HE       ARG  46   5.307   1.878   8.829
  362   1HH1  ARG  46          1HH1      ARG  46   8.195   0.828  10.473
  363   2HH1  ARG  46          2HH1      ARG  46   7.972   1.896  11.817
  364   1HH2  ARG  46          1HH2      ARG  46   5.008   3.288  10.595
  365   2HH2  ARG  46          2HH2      ARG  46   6.161   3.294  11.887
  366    H    MET  47           H        MET  47   3.826  -0.549   6.083
  367    HA   MET  47           HA       MET  47   2.281  -2.497   7.531
  368   1HB   MET  47          1HB       MET  47   1.551   0.268   6.558
  369   2HB   MET  47          2HB       MET  47   0.585  -0.706   7.653
  370   1HG   MET  47          1HG       MET  47   2.509  -0.679   9.244
  371   2HG   MET  47          2HG       MET  47   3.301   0.473   8.170
  372   1HE   MET  47          1HE       MET  47   1.298   2.129   7.036
  373   2HE   MET  47          2HE       MET  47   0.510   3.279   8.112
  374   3HE   MET  47          3HE       MET  47  -0.284   1.755   7.720
  375    H    LEU  48           H        LEU  48   2.396  -1.176   4.311
  376    HA   LEU  48           HA       LEU  48  -0.148  -2.213   3.507
  377   1HB   LEU  48          1HB       LEU  48   2.103  -1.248   1.750
  378   2HB   LEU  48          2HB       LEU  48   0.414  -1.401   1.308
  379    HG   LEU  48           HG       LEU  48   1.200   0.415   3.547
  380   1HD1  LEU  48          1HD1      LEU  48   0.934   1.814   1.047
  381   2HD1  LEU  48          2HD1      LEU  48   2.276   0.670   0.990
  382   3HD1  LEU  48          3HD1      LEU  48   2.219   1.901   2.251
  383   1HD2  LEU  48          1HD2      LEU  48  -0.767   1.676   2.447
  384   2HD2  LEU  48          2HD2      LEU  48  -1.103   0.230   3.398
  385   3HD2  LEU  48          3HD2      LEU  48  -1.083   0.143   1.636
  386    H    ILE  49           H        ILE  49   3.108  -2.912   2.203
  387    HA   ILE  49           HA       ILE  49   2.584  -5.028   0.631
  388    HB   ILE  49           HB       ILE  49   4.837  -6.037   1.498
  389   1HG1  ILE  49          1HG1      ILE  49   5.510  -3.307   2.369
  390   2HG1  ILE  49          2HG1      ILE  49   4.484  -4.205   3.487
  391   1HG2  ILE  49          1HG2      ILE  49   4.626  -3.359   0.136
  392   2HG2  ILE  49          2HG2      ILE  49   4.568  -4.944  -0.636
  393   3HG2  ILE  49          3HG2      ILE  49   6.056  -4.391   0.132
  394   1HD1  ILE  49          1HD1      ILE  49   6.110  -5.701   3.996
  395   2HD1  ILE  49          2HD1      ILE  49   7.113  -4.301   3.615
  396   3HD1  ILE  49          3HD1      ILE  49   6.881  -5.572   2.415
  397    H    SER  50           H        SER  50   2.516  -5.116   4.121
  398    HA   SER  50           HA       SER  50   2.385  -7.998   4.224
  399   1HB   SER  50          1HB       SER  50   2.887  -5.884   6.074
  400   2HB   SER  50          2HB       SER  50   1.523  -6.824   6.682
  401    HG   SER  50           HG       SER  50   3.750  -7.542   7.238
  402    H    HIS  51           H        HIS  51   0.188  -5.730   5.815
  403    HA   HIS  51           HA       HIS  51  -2.020  -7.542   5.332
  404   1HB   HIS  51          1HB       HIS  51  -1.808  -4.985   6.926
  405   2HB   HIS  51          2HB       HIS  51  -3.249  -5.996   6.859
  406    HD2  HIS  51           HD2      HIS  51   0.211  -5.839   8.545
  407    HE1  HIS  51           HE1      HIS  51  -1.816  -9.279   9.956
  408    HE2  HIS  51           HE2      HIS  51   0.216  -7.792  10.260
  409    H    VAL  52           H        VAL  52  -1.819  -3.999   5.157
  410    HA   VAL  52           HA       VAL  52  -3.016  -2.492   3.933
  411    HB   VAL  52           HB       VAL  52  -1.250  -3.224   2.332
  412   1HG1  VAL  52          1HG1      VAL  52  -1.817  -5.479   1.921
  413   2HG1  VAL  52          2HG1      VAL  52  -2.036  -4.615   0.398
  414   3HG1  VAL  52          3HG1      VAL  52  -3.438  -5.046   1.379
  415   1HG2  VAL  52          1HG2      VAL  52  -2.111  -1.993   0.556
  416   2HG2  VAL  52          2HG2      VAL  52  -3.031  -1.414   1.948
  417   3HG2  VAL  52          3HG2      VAL  52  -3.756  -2.571   0.829
  418    H    GLU  53           H        GLU  53  -4.556  -4.678   5.117
  419    HA   GLU  53           HA       GLU  53  -6.675  -5.489   5.147
  420   1HB   GLU  53          1HB       GLU  53  -6.899  -3.030   3.484
  421   2HB   GLU  53          2HB       GLU  53  -8.273  -4.125   3.510
  422   1HG   GLU  53          1HG       GLU  53  -8.710  -3.753   5.727
  423   2HG   GLU  53          2HG       GLU  53  -7.050  -3.282   6.088
  424    H    THR  54           H        THR  54  -7.010  -4.498   1.781
  425    HA   THR  54           HA       THR  54  -7.645  -5.732  -0.043
  426    HB   THR  54           HB       THR  54  -5.949  -7.708  -0.419
  427    HG1  THR  54           HG1      THR  54  -5.226  -7.585   1.827
  428   1HG2  THR  54          1HG2      THR  54  -5.297  -4.771  -0.416
  429   2HG2  THR  54          2HG2      THR  54  -5.825  -5.771  -1.769
  430   3HG2  THR  54          3HG2      THR  54  -4.212  -5.987  -1.091
  431    H    TRP  55           H        TRP  55  -9.306  -6.411   2.013
  432    HA   TRP  55           HA       TRP  55  -9.466  -9.018   2.863
  433   1HB   TRP  55          1HB       TRP  55 -11.258  -6.782   2.650
  434   2HB   TRP  55          2HB       TRP  55 -12.111  -8.257   2.206
  435    HD1  TRP  55           HD1      TRP  55  -9.376  -8.302   4.884
  436    HE1  TRP  55           HE1      TRP  55 -10.457  -8.859   7.152
  437    HE3  TRP  55           HE3      TRP  55 -14.295  -8.126   3.503
  438    HZ2  TRP  55           HZ2      TRP  55 -13.052  -9.183   8.215
  439    HZ3  TRP  55           HZ3      TRP  55 -16.014  -8.572   5.205
  440    HH2  TRP  55           HH2      TRP  55 -15.405  -9.089   7.513
  Start of MODEL   14
    1    H    MET   1           H        MET   1  -7.452   6.495   0.237
    2    HA   MET   1           HA       MET   1  -6.110   4.445   1.627
    3   1HB   MET   1          1HB       MET   1  -4.311   6.028   1.903
    4   2HB   MET   1          2HB       MET   1  -4.994   6.226   0.295
    5   1HG   MET   1          1HG       MET   1  -5.848   8.285   0.755
    6   2HG   MET   1          2HG       MET   1  -6.043   7.945   2.474
    7   1HE   MET   1          1HE       MET   1  -2.267   7.397   3.183
    8   2HE   MET   1          2HE       MET   1  -3.926   6.968   3.598
    9   3HE   MET   1          3HE       MET   1  -3.209   8.442   4.247
   10    H    ILE   2           H        ILE   2  -5.561   4.198   3.774
   11    HA   ILE   2           HA       ILE   2  -7.469   5.048   5.686
   12    HB   ILE   2           HB       ILE   2  -4.806   3.663   5.943
   13   1HG1  ILE   2          1HG1      ILE   2  -6.175   1.724   6.511
   14   2HG1  ILE   2          2HG1      ILE   2  -7.634   2.707   6.432
   15   1HG2  ILE   2          1HG2      ILE   2  -5.216   3.277   8.282
   16   2HG2  ILE   2          2HG2      ILE   2  -6.739   4.163   8.202
   17   3HG2  ILE   2          3HG2      ILE   2  -5.210   5.013   7.979
   18   1HD1  ILE   2          1HD1      ILE   2  -5.817   2.287   4.080
   19   2HD1  ILE   2          2HD1      ILE   2  -7.451   2.949   4.090
   20   3HD1  ILE   2          3HD1      ILE   2  -7.190   1.243   4.448
   21    HA   PRO   3           HA       PRO   3  -5.620   8.987   6.730
   22   1HB   PRO   3          1HB       PRO   3  -7.136   9.629   8.812
   23   2HB   PRO   3          2HB       PRO   3  -7.869   9.487   7.205
   24   1HG   PRO   3          1HG       PRO   3  -7.768   7.447   9.421
   25   2HG   PRO   3          2HG       PRO   3  -9.185   8.009   8.501
   26   1HD   PRO   3          1HD       PRO   3  -7.851   5.730   7.867
   27   2HD   PRO   3          2HD       PRO   3  -8.624   6.750   6.636
   28    H    VAL   4           H        VAL   4  -4.805  10.046   8.877
   29    HA   VAL   4           HA       VAL   4  -3.416   9.975  10.685
   30    HB   VAL   4           HB       VAL   4  -5.147   7.578  11.010
   31   1HG1  VAL   4          1HG1      VAL   4  -2.535   7.869  12.447
   32   2HG1  VAL   4          2HG1      VAL   4  -3.309   6.416  11.807
   33   3HG1  VAL   4          3HG1      VAL   4  -3.931   7.178  13.274
   34   1HG2  VAL   4          1HG2      VAL   4  -6.081   9.499  11.873
   35   2HG2  VAL   4          2HG2      VAL   4  -4.544  10.092  12.504
   36   3HG2  VAL   4          3HG2      VAL   4  -5.369   8.754  13.303
   37    H    ARG   5           H        ARG   5  -3.377   6.537   9.881
   38    HA   ARG   5           HA       ARG   5  -0.652   6.151  10.154
   39   1HB   ARG   5          1HB       ARG   5  -2.909   4.643   9.438
   40   2HB   ARG   5          2HB       ARG   5  -1.750   4.408   8.131
   41   1HG   ARG   5          1HG       ARG   5  -1.260   2.690   9.610
   42   2HG   ARG   5          2HG       ARG   5  -0.063   3.921  10.022
   43   1HD   ARG   5          1HD       ARG   5  -0.915   3.144  12.079
   44   2HD   ARG   5          2HD       ARG   5  -1.688   4.703  11.801
   45    HE   ARG   5           HE       ARG   5  -3.210   2.442  10.868
   46   1HH1  ARG   5          1HH1      ARG   5  -2.524   4.545  13.557
   47   2HH1  ARG   5          2HH1      ARG   5  -4.036   4.242  14.346
   48   1HH2  ARG   5          1HH2      ARG   5  -5.203   2.035  11.899
   49   2HH2  ARG   5          2HH2      ARG   5  -5.559   2.814  13.404
   50    H    CYS   6           H        CYS   6   0.676   5.198   8.220
   51    HA   CYS   6           HA       CYS   6   0.767   7.294   6.169
   52   1HB   CYS   6          1HB       CYS   6   2.770   6.024   7.768
   53   2HB   CYS   6          2HB       CYS   6   3.091   5.657   6.076
   54    H    LEU   7           H        LEU   7  -0.401   6.683   4.479
   55    HA   LEU   7           HA       LEU   7   0.290   4.153   3.181
   56   1HB   LEU   7          1HB       LEU   7  -2.494   5.272   3.464
   57   2HB   LEU   7          2HB       LEU   7  -2.071   3.864   2.516
   58    HG   LEU   7           HG       LEU   7  -2.943   2.885   4.397
   59   1HD1  LEU   7          1HD1      LEU   7  -1.265   1.646   5.160
   60   2HD1  LEU   7          2HD1      LEU   7  -0.437   3.034   5.859
   61   3HD1  LEU   7          3HD1      LEU   7  -0.220   2.641   4.155
   62   1HD2  LEU   7          1HD2      LEU   7  -3.325   5.034   5.538
   63   2HD2  LEU   7          2HD2      LEU   7  -1.660   4.995   6.120
   64   3HD2  LEU   7          3HD2      LEU   7  -2.804   3.754   6.634
   65    H    SER   8           H        SER   8   1.398   6.597   2.643
   66    HA   SER   8           HA       SER   8   1.008   6.881  -0.113
   67   1HB   SER   8          1HB       SER   8  -0.612   8.676   1.620
   68   2HB   SER   8          2HB       SER   8   0.187   9.416   0.233
   69    HG   SER   8           HG       SER   8  -1.792   7.425   0.297
   70    H    CYS   9           H        CYS   9   1.548   9.309   2.442
   71    HA   CYS   9           HA       CYS   9   3.401  10.474   3.066
   72   1HB   CYS   9          1HB       CYS   9   4.426   7.988   2.201
   73   2HB   CYS   9          2HB       CYS   9   5.457   9.225   1.490
   74    H    GLY  10           H        GLY  10   1.862  10.927   0.513
   75   1HA   GLY  10          1HA       GLY  10   2.396  13.202  -0.473
   76   2HA   GLY  10          2HA       GLY  10   3.917  12.461  -0.949
   77    H    LYS  11           H        LYS  11   2.393   9.892  -1.464
   78    HA   LYS  11           HA       LYS  11   1.135  10.705  -3.995
   79   1HB   LYS  11          1HB       LYS  11   3.496   9.167  -3.625
   80   2HB   LYS  11          2HB       LYS  11   2.252   8.092  -4.255
   81   1HG   LYS  11          1HG       LYS  11   3.593   9.116  -6.031
   82   2HG   LYS  11          2HG       LYS  11   1.894   9.582  -6.133
   83   1HD   LYS  11          1HD       LYS  11   2.352  11.701  -5.130
   84   2HD   LYS  11          2HD       LYS  11   4.026  11.243  -4.825
   85   1HE   LYS  11          1HE       LYS  11   4.221  10.944  -7.352
   86   2HE   LYS  11          2HE       LYS  11   2.685  11.803  -7.454
   87   1HZ   LYS  11          1HZ       LYS  11   3.622  13.755  -6.791
   88   2HZ   LYS  11          2HZ       LYS  11   4.956  13.072  -7.576
   89   3HZ   LYS  11          3HZ       LYS  11   4.846  13.012  -5.889
   90    HA   PRO  12           HA       PRO  12  -2.343   8.339  -2.649
   91   1HB   PRO  12          1HB       PRO  12  -3.438   7.758  -5.079
   92   2HB   PRO  12          2HB       PRO  12  -3.576   9.337  -4.299
   93   1HG   PRO  12          1HG       PRO  12  -1.693   8.442  -6.449
   94   2HG   PRO  12          2HG       PRO  12  -2.587   9.967  -6.309
   95   1HD   PRO  12          1HD       PRO  12   0.027   9.773  -5.667
   96   2HD   PRO  12          2HD       PRO  12  -1.079  10.858  -4.800
   97    H    VAL  13           H        VAL  13  -2.580   6.269  -2.078
   98    HA   VAL  13           HA       VAL  13  -1.106   4.242  -3.616
   99    HB   VAL  13           HB       VAL  13  -0.881   2.940  -1.639
  100   1HG1  VAL  13          1HG1      VAL  13   0.766   4.634  -1.718
  101   2HG1  VAL  13          2HG1      VAL  13   0.187   4.601  -0.051
  102   3HG1  VAL  13          3HG1      VAL  13  -0.365   5.865  -1.152
  103   1HG2  VAL  13          1HG2      VAL  13  -3.142   3.303  -0.732
  104   2HG2  VAL  13          2HG2      VAL  13  -2.668   4.922  -0.226
  105   3HG2  VAL  13          3HG2      VAL  13  -1.894   3.512   0.497
  106    H    SER  14           H        SER  14  -4.216   5.141  -2.355
  107    HA   SER  14           HA       SER  14  -5.587   2.727  -2.486
  108   1HB   SER  14          1HB       SER  14  -6.784   5.396  -3.251
  109   2HB   SER  14          2HB       SER  14  -7.599   4.013  -2.515
  110    HG   SER  14           HG       SER  14  -6.383   4.371  -0.635
  111    H    ALA  15           H        ALA  15  -4.975   5.108  -5.037
  112    HA   ALA  15           HA       ALA  15  -6.524   3.836  -7.031
  113   1HB   ALA  15          1HB       ALA  15  -4.862   6.141  -6.832
  114   2HB   ALA  15          2HB       ALA  15  -6.074   5.751  -8.053
  115   3HB   ALA  15          3HB       ALA  15  -4.403   5.231  -8.272
  116    H    TYR  16           H        TYR  16  -3.203   3.449  -5.965
  117    HA   TYR  16           HA       TYR  16  -2.549   1.660  -8.144
  118   1HB   TYR  16          1HB       TYR  16  -1.094   2.925  -5.880
  119   2HB   TYR  16          2HB       TYR  16  -0.442   1.426  -6.527
  120    HD1  TYR  16           HD1      TYR  16  -0.807   4.971  -7.030
  121    HD2  TYR  16           HD2      TYR  16   0.168   1.310  -8.968
  122    HE1  TYR  16           HE1      TYR  16   0.263   6.227  -8.852
  123    HE2  TYR  16           HE2      TYR  16   1.241   2.558 -10.795
  124    HH   TYR  16           HH       TYR  16   0.747   5.635 -11.460
  125    H    PHE  17           H        PHE  17  -3.713   1.472  -4.900
  126    HA   PHE  17           HA       PHE  17  -2.901  -0.946  -3.949
  127   1HB   PHE  17          1HB       PHE  17  -5.455   0.567  -3.754
  128   2HB   PHE  17          2HB       PHE  17  -5.474  -1.107  -3.214
  129    HD1  PHE  17           HD1      PHE  17  -2.321   0.597  -2.817
  130    HD2  PHE  17           HD2      PHE  17  -6.099  -0.141  -0.996
  131    HE1  PHE  17           HE1      PHE  17  -1.405   1.290  -0.640
  132    HE2  PHE  17           HE2      PHE  17  -5.187   0.551   1.181
  133    HZ   PHE  17           HZ       PHE  17  -2.840   1.267   1.360
  134    H    ASN  18           H        ASN  18  -5.035  -0.359  -6.638
  135    HA   ASN  18           HA       ASN  18  -6.173  -2.917  -6.900
  136   1HB   ASN  18          1HB       ASN  18  -6.067  -0.488  -8.430
  137   2HB   ASN  18          2HB       ASN  18  -5.753  -1.856  -9.495
  138   1HD2  ASN  18          1HD2      ASN  18  -8.103   0.068  -8.397
  139   2HD2  ASN  18          2HD2      ASN  18  -9.463  -1.001  -8.514
  140    H    GLU  19           H        GLU  19  -3.149  -1.532  -8.081
  141    HA   GLU  19           HA       GLU  19  -2.317  -3.672  -9.687
  142   1HB   GLU  19          1HB       GLU  19  -1.306  -1.233  -9.171
  143   2HB   GLU  19          2HB       GLU  19  -0.260  -2.191  -8.134
  144   1HG   GLU  19          1HG       GLU  19   0.944  -2.137 -10.077
  145   2HG   GLU  19          2HG       GLU  19   0.060  -3.651 -10.260
  146    H    TYR  20           H        TYR  20  -1.588  -2.934  -6.291
  147    HA   TYR  20           HA       TYR  20  -0.051  -5.179  -5.695
  148   1HB   TYR  20          1HB       TYR  20  -0.180  -3.395  -4.113
  149   2HB   TYR  20          2HB       TYR  20  -1.926  -3.538  -3.989
  150    HD1  TYR  20           HD1      TYR  20   1.259  -4.703  -2.763
  151    HD2  TYR  20           HD2      TYR  20  -2.913  -5.521  -2.825
  152    HE1  TYR  20           HE1      TYR  20   1.530  -6.197  -0.827
  153    HE2  TYR  20           HE2      TYR  20  -2.656  -7.017  -0.891
  154    HH   TYR  20           HH       TYR  20  -0.544  -8.442   0.066
  155    H    GLN  21           H        GLN  21  -3.554  -4.708  -5.442
  156    HA   GLN  21           HA       GLN  21  -4.196  -7.264  -4.476
  157   1HB   GLN  21          1HB       GLN  21  -5.834  -5.507  -4.378
  158   2HB   GLN  21          2HB       GLN  21  -5.798  -5.303  -6.123
  159   1HG   GLN  21          1HG       GLN  21  -7.123  -7.103  -6.506
  160   2HG   GLN  21          2HG       GLN  21  -6.546  -7.972  -5.085
  161   1HE2  GLN  21          1HE2      GLN  21  -7.771  -4.684  -5.171
  162   2HE2  GLN  21          2HE2      GLN  21  -9.172  -4.980  -4.204
  163    H    ARG  22           H        ARG  22  -4.268  -6.004  -7.803
  164    HA   ARG  22           HA       ARG  22  -4.980  -8.362  -9.101
  165   1HB   ARG  22          1HB       ARG  22  -4.996  -6.248 -10.265
  166   2HB   ARG  22          2HB       ARG  22  -3.265  -6.054 -10.028
  167   1HG   ARG  22          1HG       ARG  22  -2.890  -8.043 -11.451
  168   2HG   ARG  22          2HG       ARG  22  -4.627  -8.105 -11.759
  169   1HD   ARG  22          1HD       ARG  22  -4.541  -5.866 -12.729
  170   2HD   ARG  22          2HD       ARG  22  -2.808  -5.789 -12.411
  171    HE   ARG  22           HE       ARG  22  -2.443  -7.094 -14.258
  172   1HH1  ARG  22          1HH1      ARG  22  -5.815  -7.230 -13.402
  173   2HH1  ARG  22          2HH1      ARG  22  -6.279  -8.077 -14.839
  174   1HH2  ARG  22          1HH2      ARG  22  -3.044  -8.210 -16.156
  175   2HH2  ARG  22          2HH2      ARG  22  -4.705  -8.635 -16.405
  176    H    ARG  23           H        ARG  23  -1.741  -7.051  -8.437
  177    HA   ARG  23           HA       ARG  23  -0.320  -9.215  -9.552
  178   1HB   ARG  23          1HB       ARG  23   0.296  -6.830  -7.976
  179   2HB   ARG  23          2HB       ARG  23   1.350  -8.189  -7.605
  180   1HG   ARG  23          1HG       ARG  23   2.218  -6.682  -9.371
  181   2HG   ARG  23          2HG       ARG  23   2.048  -8.360  -9.883
  182   1HD   ARG  23          1HD       ARG  23  -0.286  -7.584 -10.729
  183   2HD   ARG  23          2HD       ARG  23   0.419  -5.971 -10.643
  184    HE   ARG  23           HE       ARG  23   0.927  -7.944 -12.622
  185   1HH1  ARG  23          1HH1      ARG  23   2.428  -5.373 -10.818
  186   2HH1  ARG  23          2HH1      ARG  23   3.613  -5.034 -12.035
  187   1HH2  ARG  23          1HH2      ARG  23   2.483  -7.509 -14.232
  188   2HH2  ARG  23          2HH2      ARG  23   3.644  -6.249 -13.977
  189    H    VAL  24           H        VAL  24  -0.594  -8.391  -6.086
  190    HA   VAL  24           HA       VAL  24   0.372 -10.718  -5.015
  191    HB   VAL  24           HB       VAL  24  -1.927  -9.098  -3.912
  192   1HG1  VAL  24          1HG1      VAL  24  -1.910 -10.397  -2.105
  193   2HG1  VAL  24          2HG1      VAL  24  -0.154 -10.297  -1.974
  194   3HG1  VAL  24          3HG1      VAL  24  -0.893 -11.519  -3.008
  195   1HG2  VAL  24          1HG2      VAL  24  -0.464  -7.470  -3.556
  196   2HG2  VAL  24          2HG2      VAL  24   0.803  -8.422  -4.331
  197   3HG2  VAL  24          3HG2      VAL  24   0.524  -8.569  -2.597
  198    H    ALA  25           H        ALA  25  -2.776 -10.146  -6.420
  199    HA   ALA  25           HA       ALA  25  -4.130 -12.397  -5.432
  200   1HB   ALA  25          1HB       ALA  25  -4.487 -10.634  -7.814
  201   2HB   ALA  25          2HB       ALA  25  -5.536 -10.861  -6.414
  202   3HB   ALA  25          3HB       ALA  25  -5.447 -12.105  -7.660
  203    H    ASP  26           H        ASP  26  -2.224 -11.951  -8.400
  204    HA   ASP  26           HA       ASP  26  -2.587 -14.654  -9.266
  205   1HB   ASP  26          1HB       ASP  26  -1.963 -12.491 -10.634
  206   2HB   ASP  26          2HB       ASP  26  -0.316 -12.955 -10.220
  207    H    GLY  27           H        GLY  27  -0.073 -12.876  -7.544
  208   1HA   GLY  27          1HA       GLY  27   1.021 -14.308  -5.797
  209   2HA   GLY  27          2HA       GLY  27   1.323 -15.441  -7.103
  210    H    GLU  28           H        GLU  28   1.629 -11.978  -7.559
  211    HA   GLU  28           HA       GLU  28   4.454 -12.353  -8.148
  212   1HB   GLU  28          1HB       GLU  28   2.639  -9.958  -8.526
  213   2HB   GLU  28          2HB       GLU  28   4.326 -10.030  -9.010
  214   1HG   GLU  28          1HG       GLU  28   3.829 -11.027 -10.909
  215   2HG   GLU  28          2HG       GLU  28   2.899 -12.269 -10.077
  216    H    ASP  29           H        ASP  29   6.083 -10.950  -7.280
  217    HA   ASP  29           HA       ASP  29   5.975 -10.678  -4.489
  218   1HB   ASP  29          1HB       ASP  29   7.868  -9.898  -6.637
  219   2HB   ASP  29          2HB       ASP  29   8.021  -9.041  -5.106
  220    HA   PRO  30           HA       PRO  30   3.397  -6.947  -4.496
  221   1HB   PRO  30          1HB       PRO  30   4.089  -7.053  -1.616
  222   2HB   PRO  30          2HB       PRO  30   2.510  -6.929  -2.394
  223   1HG   PRO  30          1HG       PRO  30   3.314  -9.216  -1.266
  224   2HG   PRO  30          2HG       PRO  30   2.352  -9.208  -2.756
  225   1HD   PRO  30          1HD       PRO  30   5.277  -9.688  -2.388
  226   2HD   PRO  30          2HD       PRO  30   4.140 -10.450  -3.520
  227    H    LYS  31           H        LYS  31   6.440  -7.329  -2.714
  228    HA   LYS  31           HA       LYS  31   7.084  -4.696  -2.222
  229   1HB   LYS  31          1HB       LYS  31   8.476  -7.217  -2.342
  230   2HB   LYS  31          2HB       LYS  31   9.479  -5.942  -3.016
  231   1HG   LYS  31          1HG       LYS  31   9.894  -5.072  -1.010
  232   2HG   LYS  31          2HG       LYS  31   8.193  -5.141  -0.540
  233   1HD   LYS  31          1HD       LYS  31   9.731  -7.686  -0.648
  234   2HD   LYS  31          2HD       LYS  31  10.034  -6.583   0.696
  235   1HE   LYS  31          1HE       LYS  31   7.347  -6.579   0.697
  236   2HE   LYS  31          2HE       LYS  31   7.643  -8.197   0.061
  237   1HZ   LYS  31          1HZ       LYS  31   9.315  -7.628   2.296
  238   2HZ   LYS  31          2HZ       LYS  31   8.238  -8.911   2.062
  239   3HZ   LYS  31          3HZ       LYS  31   7.681  -7.445   2.696
  240    H    ASP  32           H        ASP  32   7.463  -6.565  -5.188
  241    HA   ASP  32           HA       ASP  32   8.812  -4.563  -6.682
  242   1HB   ASP  32          1HB       ASP  32   7.927  -7.196  -7.134
  243   2HB   ASP  32          2HB       ASP  32   7.088  -6.205  -8.323
  244    H    VAL  33           H        VAL  33   5.421  -5.466  -6.268
  245    HA   VAL  33           HA       VAL  33   4.243  -3.632  -8.004
  246    HB   VAL  33           HB       VAL  33   3.157  -4.542  -5.334
  247   1HG1  VAL  33          1HG1      VAL  33   1.376  -3.942  -7.614
  248   2HG1  VAL  33          2HG1      VAL  33   2.153  -2.561  -6.837
  249   3HG1  VAL  33          3HG1      VAL  33   1.149  -3.657  -5.888
  250   1HG2  VAL  33          1HG2      VAL  33   1.876  -6.127  -6.991
  251   2HG2  VAL  33          2HG2      VAL  33   3.480  -6.550  -6.389
  252   3HG2  VAL  33          3HG2      VAL  33   3.298  -5.858  -7.999
  253    H    LEU  34           H        LEU  34   5.188  -3.310  -4.602
  254    HA   LEU  34           HA       LEU  34   4.243  -0.780  -4.049
  255   1HB   LEU  34          1HB       LEU  34   6.633  -2.315  -3.125
  256   2HB   LEU  34          2HB       LEU  34   6.451  -0.644  -2.643
  257    HG   LEU  34           HG       LEU  34   5.602  -2.401  -1.012
  258   1HD1  LEU  34          1HD1      LEU  34   3.324  -0.636  -1.631
  259   2HD1  LEU  34          2HD1      LEU  34   4.886   0.151  -1.415
  260   3HD1  LEU  34          3HD1      LEU  34   4.220  -0.854  -0.128
  261   1HD2  LEU  34          1HD2      LEU  34   3.160  -3.001  -1.546
  262   2HD2  LEU  34          2HD2      LEU  34   4.441  -3.950  -2.296
  263   3HD2  LEU  34          3HD2      LEU  34   3.606  -2.703  -3.222
  264    H    ASP  35           H        ASP  35   7.193  -1.723  -5.737
  265    HA   ASP  35           HA       ASP  35   8.310   0.835  -6.005
  266   1HB   ASP  35          1HB       ASP  35   9.234  -1.571  -6.615
  267   2HB   ASP  35          2HB       ASP  35   8.595  -1.170  -8.206
  268    H    ASP  36           H        ASP  36   5.765  -0.837  -7.672
  269    HA   ASP  36           HA       ASP  36   5.546   1.159  -9.769
  270   1HB   ASP  36          1HB       ASP  36   4.476  -1.522  -9.250
  271   2HB   ASP  36          2HB       ASP  36   3.289  -0.419  -9.936
  272    H    LEU  37           H        LEU  37   3.791   0.114  -6.887
  273    HA   LEU  37           HA       LEU  37   1.484   1.601  -7.044
  274   1HB   LEU  37          1HB       LEU  37   3.207   0.723  -4.768
  275   2HB   LEU  37          2HB       LEU  37   1.870   1.804  -4.447
  276    HG   LEU  37           HG       LEU  37   1.075  -0.491  -6.061
  277   1HD1  LEU  37          1HD1      LEU  37   1.114  -1.968  -3.951
  278   2HD1  LEU  37          2HD1      LEU  37   2.417  -0.908  -3.417
  279   3HD1  LEU  37          3HD1      LEU  37   2.585  -1.830  -4.911
  280   1HD2  LEU  37          1HD2      LEU  37  -0.015   0.068  -3.364
  281   2HD2  LEU  37          2HD2      LEU  37  -0.848  -0.295  -4.876
  282   3HD2  LEU  37          3HD2      LEU  37  -0.206   1.323  -4.590
  283    H    GLY  38           H        GLY  38   4.558   2.632  -5.564
  284   1HA   GLY  38          1HA       GLY  38   5.500   4.781  -5.996
  285   2HA   GLY  38          2HA       GLY  38   3.884   5.398  -6.297
  286    H    LEU  39           H        LEU  39   5.380   3.622  -3.587
  287    HA   LEU  39           HA       LEU  39   4.556   5.834  -1.827
  288   1HB   LEU  39          1HB       LEU  39   4.690   3.151  -0.620
  289   2HB   LEU  39          2HB       LEU  39   3.542   4.448  -0.353
  290    HG   LEU  39           HG       LEU  39   2.537   3.816  -2.614
  291   1HD1  LEU  39          1HD1      LEU  39   4.656   1.824  -2.361
  292   2HD1  LEU  39          2HD1      LEU  39   3.779   2.375  -3.786
  293   3HD1  LEU  39          3HD1      LEU  39   3.073   1.143  -2.738
  294   1HD2  LEU  39          1HD2      LEU  39   1.018   2.460  -1.581
  295   2HD2  LEU  39          2HD2      LEU  39   1.810   3.172  -0.175
  296   3HD2  LEU  39          3HD2      LEU  39   2.254   1.551  -0.712
  297    H    LYS  40           H        LYS  40   6.761   6.582  -2.199
  298    HA   LYS  40           HA       LYS  40   9.083   5.199  -1.583
  299   1HB   LYS  40          1HB       LYS  40   8.283   8.055  -1.684
  300   2HB   LYS  40          2HB       LYS  40   9.767   7.693  -0.815
  301   1HG   LYS  40          1HG       LYS  40   9.200   6.847  -3.648
  302   2HG   LYS  40          2HG       LYS  40  10.118   8.284  -3.189
  303   1HD   LYS  40          1HD       LYS  40  10.941   5.667  -2.041
  304   2HD   LYS  40          2HD       LYS  40  11.311   5.985  -3.737
  305   1HE   LYS  40          1HE       LYS  40  12.504   8.000  -3.139
  306   2HE   LYS  40          2HE       LYS  40  12.054   7.799  -1.445
  307   1HZ   LYS  40          1HZ       LYS  40  14.332   6.879  -2.610
  308   2HZ   LYS  40          2HZ       LYS  40  13.368   5.492  -2.521
  309   3HZ   LYS  40          3HZ       LYS  40  13.713   6.374  -1.119
  310    H    ARG  41           H        ARG  41  10.483   6.380   0.390
  311    HA   ARG  41           HA       ARG  41  10.904   6.455   2.613
  312   1HB   ARG  41          1HB       ARG  41   7.950   6.846   2.614
  313   2HB   ARG  41          2HB       ARG  41   8.737   6.463   4.135
  314   1HG   ARG  41          1HG       ARG  41   9.929   8.618   2.491
  315   2HG   ARG  41          2HG       ARG  41   8.393   8.951   3.295
  316   1HD   ARG  41          1HD       ARG  41   9.360   9.093   5.300
  317   2HD   ARG  41          2HD       ARG  41  10.290   7.619   5.042
  318    HE   ARG  41           HE       ARG  41  11.329   9.854   3.588
  319   1HH1  ARG  41          1HH1      ARG  41  11.278   8.266   6.686
  320   2HH1  ARG  41          2HH1      ARG  41  12.809   8.905   7.184
  321   1HH2  ARG  41          1HH2      ARG  41  13.347  10.702   4.234
  322   2HH2  ARG  41          2HH2      ARG  41  13.986  10.290   5.790
  323    H    TYR  42           H        TYR  42   8.115   4.283   2.093
  324    HA   TYR  42           HA       TYR  42   8.066   1.975   2.299
  325   1HB   TYR  42          1HB       TYR  42  10.667   2.073   2.472
  326   2HB   TYR  42          2HB       TYR  42  10.377   1.943   4.204
  327    HD1  TYR  42           HD1      TYR  42   8.822  -0.029   4.952
  328    HD2  TYR  42           HD2      TYR  42  10.827   0.143   1.200
  329    HE1  TYR  42           HE1      TYR  42   8.608  -2.470   4.729
  330    HE2  TYR  42           HE2      TYR  42  10.617  -2.296   0.969
  331    HH   TYR  42           HH       TYR  42   9.201  -4.110   1.815
  332    H    CYS  43           H        CYS  43   8.396   4.308   4.811
  333    HA   CYS  43           HA       CYS  43   7.570   2.923   7.063
  334   1HB   CYS  43          1HB       CYS  43   6.567   5.091   7.805
  335   2HB   CYS  43          2HB       CYS  43   8.221   5.242   7.221
  336    H    CYS  44           H        CYS  44   5.809   3.851   4.227
  337    HA   CYS  44           HA       CYS  44   3.220   3.183   5.366
  338   1HB   CYS  44          1HB       CYS  44   3.717   3.669   2.443
  339   2HB   CYS  44          2HB       CYS  44   2.278   4.023   3.395
  340    H    ARG  45           H        ARG  45   5.214   2.039   2.643
  341    HA   ARG  45           HA       ARG  45   3.821  -0.166   1.872
  342   1HB   ARG  45          1HB       ARG  45   6.816  -0.252   2.169
  343   2HB   ARG  45          2HB       ARG  45   5.825  -1.046   0.956
  344   1HG   ARG  45          1HG       ARG  45   5.195   1.257   0.145
  345   2HG   ARG  45          2HG       ARG  45   6.476   1.873   1.189
  346   1HD   ARG  45          1HD       ARG  45   7.478  -0.312  -0.359
  347   2HD   ARG  45          2HD       ARG  45   6.709   0.861  -1.428
  348    HE   ARG  45           HE       ARG  45   8.325   2.283   0.327
  349   1HH1  ARG  45          1HH1      ARG  45   8.689  -0.099  -2.188
  350   2HH1  ARG  45          2HH1      ARG  45  10.270   0.440  -2.648
  351   1HH2  ARG  45          1HH2      ARG  45  10.403   3.001  -0.269
  352   2HH2  ARG  45          2HH2      ARG  45  11.244   2.204  -1.556
  353    H    ARG  46           H        ARG  46   6.386  -0.204   4.355
  354    HA   ARG  46           HA       ARG  46   6.399  -2.772   5.146
  355   1HB   ARG  46          1HB       ARG  46   6.848  -1.928   7.475
  356   2HB   ARG  46          2HB       ARG  46   7.831  -1.202   6.210
  357   1HG   ARG  46          1HG       ARG  46   7.184   0.811   6.835
  358   2HG   ARG  46          2HG       ARG  46   5.499   0.382   6.534
  359   1HD   ARG  46          1HD       ARG  46   5.389   0.911   8.755
  360   2HD   ARG  46          2HD       ARG  46   5.731  -0.814   8.860
  361    HE   ARG  46           HE       ARG  46   8.189   0.377   8.862
  362   1HH1  ARG  46          1HH1      ARG  46   5.311   0.649  10.809
  363   2HH1  ARG  46          2HH1      ARG  46   6.172   1.075  12.250
  364   1HH2  ARG  46          1HH2      ARG  46   9.328   0.937  10.755
  365   2HH2  ARG  46          2HH2      ARG  46   8.453   1.239  12.220
  366    H    MET  47           H        MET  47   3.865  -0.449   5.900
  367    HA   MET  47           HA       MET  47   2.432  -2.372   7.544
  368   1HB   MET  47          1HB       MET  47   1.750   0.440   6.685
  369   2HB   MET  47          2HB       MET  47   0.747  -0.542   7.742
  370   1HG   MET  47          1HG       MET  47   2.778  -0.702   9.259
  371   2HG   MET  47          2HG       MET  47   3.469   0.592   8.282
  372   1HE   MET  47          1HE       MET  47   1.616   2.239   7.388
  373   2HE   MET  47          2HE       MET  47   1.537   3.516   8.599
  374   3HE   MET  47          3HE       MET  47   0.102   2.557   8.235
  375    H    LEU  48           H        LEU  48   2.351  -1.018   4.332
  376    HA   LEU  48           HA       LEU  48  -0.254  -2.003   3.689
  377   1HB   LEU  48          1HB       LEU  48   1.912  -1.144   1.776
  378   2HB   LEU  48          2HB       LEU  48   0.193  -1.241   1.450
  379    HG   LEU  48           HG       LEU  48   1.142   0.582   3.608
  380   1HD1  LEU  48          1HD1      LEU  48   2.210   0.741   1.052
  381   2HD1  LEU  48          2HD1      LEU  48   2.179   2.022   2.265
  382   3HD1  LEU  48          3HD1      LEU  48   0.897   1.919   1.061
  383   1HD2  LEU  48          1HD2      LEU  48  -1.198   0.332   1.785
  384   2HD2  LEU  48          2HD2      LEU  48  -0.775   1.914   2.441
  385   3HD2  LEU  48          3HD2      LEU  48  -1.151   0.580   3.532
  386    H    ILE  49           H        ILE  49   2.924  -2.816   2.265
  387    HA   ILE  49           HA       ILE  49   2.276  -4.982   0.785
  388    HB   ILE  49           HB       ILE  49   4.559  -5.990   1.591
  389   1HG1  ILE  49          1HG1      ILE  49   5.268  -3.210   2.311
  390   2HG1  ILE  49          2HG1      ILE  49   4.342  -4.100   3.521
  391   1HG2  ILE  49          1HG2      ILE  49   4.176  -4.974  -0.576
  392   2HG2  ILE  49          2HG2      ILE  49   5.731  -4.459   0.079
  393   3HG2  ILE  49          3HG2      ILE  49   4.349  -3.366   0.128
  394   1HD1  ILE  49          1HD1      ILE  49   7.075  -4.636   2.465
  395   2HD1  ILE  49          2HD1      ILE  49   6.113  -5.952   3.138
  396   3HD1  ILE  49          3HD1      ILE  49   6.508  -4.550   4.132
  397    H    SER  50           H        SER  50   2.406  -4.888   4.265
  398    HA   SER  50           HA       SER  50   2.190  -7.754   4.537
  399   1HB   SER  50          1HB       SER  50   2.179  -5.467   6.506
  400   2HB   SER  50          2HB       SER  50   1.870  -7.132   7.001
  401    HG   SER  50           HG       SER  50   4.092  -6.505   7.175
  402    H    HIS  51           H        HIS  51   0.167  -5.273   6.075
  403    HA   HIS  51           HA       HIS  51  -2.118  -7.038   5.867
  404   1HB   HIS  51          1HB       HIS  51  -1.707  -5.903   7.979
  405   2HB   HIS  51          2HB       HIS  51  -1.801  -4.334   7.184
  406    HD2  HIS  51           HD2      HIS  51  -3.992  -3.543   8.675
  407    HE1  HIS  51           HE1      HIS  51  -6.598  -6.484   7.099
  408    HE2  HIS  51           HE2      HIS  51  -6.445  -4.374   8.497
  409    H    VAL  52           H        VAL  52  -1.693  -3.560   5.186
  410    HA   VAL  52           HA       VAL  52  -3.003  -2.143   3.951
  411    HB   VAL  52           HB       VAL  52  -1.278  -2.892   2.360
  412   1HG1  VAL  52          1HG1      VAL  52  -2.178  -5.289   2.311
  413   2HG1  VAL  52          2HG1      VAL  52  -1.570  -4.595   0.811
  414   3HG1  VAL  52          3HG1      VAL  52  -3.305  -4.691   1.095
  415   1HG2  VAL  52          1HG2      VAL  52  -3.045  -1.184   1.840
  416   2HG2  VAL  52          2HG2      VAL  52  -3.902  -2.455   0.966
  417   3HG2  VAL  52          3HG2      VAL  52  -2.295  -1.954   0.442
  418    H    GLU  53           H        GLU  53  -5.060  -2.190   4.725
  419    HA   GLU  53           HA       GLU  53  -6.909  -4.274   4.252
  420   1HB   GLU  53          1HB       GLU  53  -6.840  -2.077   5.882
  421   2HB   GLU  53          2HB       GLU  53  -8.047  -1.600   4.697
  422   1HG   GLU  53          1HG       GLU  53  -9.085  -3.910   5.168
  423   2HG   GLU  53          2HG       GLU  53  -8.086  -3.881   6.620
  424    H    THR  54           H        THR  54  -7.376  -4.823   2.208
  425    HA   THR  54           HA       THR  54  -7.981  -2.709   0.266
  426    HB   THR  54           HB       THR  54  -8.046  -4.750  -1.338
  427    HG1  THR  54           HG1      THR  54  -6.579  -6.426  -0.479
  428   1HG2  THR  54          1HG2      THR  54  -5.337  -4.204  -0.170
  429   2HG2  THR  54          2HG2      THR  54  -6.227  -2.943  -1.025
  430   3HG2  THR  54          3HG2      THR  54  -5.794  -4.436  -1.858
  431    H    TRP  55           H        TRP  55  -9.356  -5.589   1.775
  432    HA   TRP  55           HA       TRP  55 -11.923  -5.066   0.462
  433   1HB   TRP  55          1HB       TRP  55 -12.569  -7.289   1.451
  434   2HB   TRP  55          2HB       TRP  55 -11.237  -7.359   0.302
  435    HD1  TRP  55           HD1      TRP  55  -8.857  -8.078   1.216
  436    HE1  TRP  55           HE1      TRP  55  -8.089  -9.148   3.427
  437    HE3  TRP  55           HE3      TRP  55 -13.078  -7.317   3.999
  438    HZ2  TRP  55           HZ2      TRP  55  -9.132  -9.607   6.009
  439    HZ3  TRP  55           HZ3      TRP  55 -13.112  -8.103   6.330
  440    HH2  TRP  55           HH2      TRP  55 -11.177  -9.224   7.313
  Start of MODEL   15
    1    H    MET   1           H        MET   1  -7.590   3.952   0.116
    2    HA   MET   1           HA       MET   1  -5.920   3.660   1.647
    3   1HB   MET   1          1HB       MET   1  -4.449   5.509   1.896
    4   2HB   MET   1          2HB       MET   1  -5.168   5.652   0.298
    5   1HG   MET   1          1HG       MET   1  -6.521   7.444   0.939
    6   2HG   MET   1          2HG       MET   1  -6.289   7.122   2.656
    7   1HE   MET   1          1HE       MET   1  -2.559   7.019   2.433
    8   2HE   MET   1          2HE       MET   1  -3.935   6.807   3.515
    9   3HE   MET   1          3HE       MET   1  -2.969   8.280   3.595
   10    H    ILE   2           H        ILE   2  -4.981   5.087   3.762
   11    HA   ILE   2           HA       ILE   2  -7.292   5.317   5.566
   12    HB   ILE   2           HB       ILE   2  -4.677   3.914   6.099
   13   1HG1  ILE   2          1HG1      ILE   2  -6.210   1.998   6.618
   14   2HG1  ILE   2          2HG1      ILE   2  -7.546   2.978   6.020
   15   1HG2  ILE   2          1HG2      ILE   2  -6.198   5.344   7.966
   16   2HG2  ILE   2          2HG2      ILE   2  -4.893   4.204   8.284
   17   3HG2  ILE   2          3HG2      ILE   2  -6.564   3.642   8.239
   18   1HD1  ILE   2          1HD1      ILE   2  -5.347   2.839   4.138
   19   2HD1  ILE   2          2HD1      ILE   2  -7.063   2.509   3.907
   20   3HD1  ILE   2          3HD1      ILE   2  -6.002   1.252   4.545
   21    HA   PRO   3           HA       PRO   3  -5.362   9.255   6.520
   22   1HB   PRO   3          1HB       PRO   3  -6.888   9.952   8.601
   23   2HB   PRO   3          2HB       PRO   3  -7.576   9.890   6.970
   24   1HG   PRO   3          1HG       PRO   3  -7.639   7.780   9.124
   25   2HG   PRO   3          2HG       PRO   3  -9.010   8.464   8.212
   26   1HD   PRO   3          1HD       PRO   3  -7.884   6.140   7.476
   27   2HD   PRO   3          2HD       PRO   3  -8.441   7.310   6.261
   28    H    VAL   4           H        VAL   4  -4.574  10.294   8.717
   29    HA   VAL   4           HA       VAL   4  -3.227  10.156  10.552
   30    HB   VAL   4           HB       VAL   4  -5.050   7.818  10.805
   31   1HG1  VAL   4          1HG1      VAL   4  -3.899   7.347  13.091
   32   2HG1  VAL   4          2HG1      VAL   4  -2.461   7.993  12.300
   33   3HG1  VAL   4          3HG1      VAL   4  -3.277   6.578  11.628
   34   1HG2  VAL   4          1HG2      VAL   4  -4.875   9.177  13.208
   35   2HG2  VAL   4          2HG2      VAL   4  -6.082   9.417  11.943
   36   3HG2  VAL   4          3HG2      VAL   4  -4.636  10.426  11.986
   37    H    ARG   5           H        ARG   5  -3.277   6.723   9.708
   38    HA   ARG   5           HA       ARG   5  -0.551   6.277  10.005
   39   1HB   ARG   5          1HB       ARG   5  -2.854   4.814   9.279
   40   2HB   ARG   5          2HB       ARG   5  -1.656   4.514   8.022
   41   1HG   ARG   5          1HG       ARG   5  -1.142   2.846   9.492
   42   2HG   ARG   5          2HG       ARG   5  -0.082   4.119  10.098
   43   1HD   ARG   5          1HD       ARG   5  -1.036   3.806  12.086
   44   2HD   ARG   5          2HD       ARG   5  -2.475   4.568  11.410
   45    HE   ARG   5           HE       ARG   5  -3.501   2.518  11.355
   46   1HH1  ARG   5          1HH1      ARG   5  -0.086   2.087  11.883
   47   2HH1  ARG   5          2HH1      ARG   5  -0.219   0.394  12.224
   48   1HH2  ARG   5          1HH2      ARG   5  -3.689   0.288  11.804
   49   2HH2  ARG   5          2HH2      ARG   5  -2.268  -0.629  12.179
   50    H    CYS   6           H        CYS   6   0.768   5.295   8.084
   51    HA   CYS   6           HA       CYS   6   0.875   7.367   6.010
   52   1HB   CYS   6          1HB       CYS   6   2.861   6.078   7.612
   53   2HB   CYS   6          2HB       CYS   6   3.172   5.694   5.923
   54    H    LEU   7           H        LEU   7  -0.332   6.754   4.332
   55    HA   LEU   7           HA       LEU   7   0.362   4.230   3.023
   56   1HB   LEU   7          1HB       LEU   7  -2.430   5.313   3.356
   57   2HB   LEU   7          2HB       LEU   7  -2.007   3.927   2.376
   58    HG   LEU   7           HG       LEU   7  -2.850   2.922   4.265
   59   1HD1  LEU   7          1HD1      LEU   7  -0.296   3.019   5.646
   60   2HD1  LEU   7          2HD1      LEU   7  -0.137   2.664   3.927
   61   3HD1  LEU   7          3HD1      LEU   7  -1.158   1.654   4.944
   62   1HD2  LEU   7          1HD2      LEU   7  -1.496   4.995   5.978
   63   2HD2  LEU   7          2HD2      LEU   7  -2.619   3.745   6.515
   64   3HD2  LEU   7          3HD2      LEU   7  -3.183   5.043   5.462
   65    H    SER   8           H        SER   8   1.426   6.700   2.466
   66    HA   SER   8           HA       SER   8   0.948   6.964  -0.290
   67   1HB   SER   8          1HB       SER   8  -0.507   8.860   1.511
   68   2HB   SER   8          2HB       SER   8   0.145   9.469  -0.010
   69    HG   SER   8           HG       SER   8  -1.530   7.190   0.193
   70    H    CYS   9           H        CYS   9   1.708   9.204   2.380
   71    HA   CYS   9           HA       CYS   9   3.587  10.372   2.898
   72   1HB   CYS   9          1HB       CYS   9   4.505   7.895   1.977
   73   2HB   CYS   9          2HB       CYS   9   5.492   9.085   1.136
   74    H    GLY  10           H        GLY  10   1.995  10.760   0.238
   75   1HA   GLY  10          1HA       GLY  10   2.631  13.156  -0.594
   76   2HA   GLY  10          2HA       GLY  10   4.006  12.284  -1.256
   77    H    LYS  11           H        LYS  11   2.501   9.895  -1.874
   78    HA   LYS  11           HA       LYS  11   0.856  10.905  -4.099
   79   1HB   LYS  11          1HB       LYS  11   3.163   9.103  -4.066
   80   2HB   LYS  11          2HB       LYS  11   1.788   8.457  -4.952
   81   1HG   LYS  11          1HG       LYS  11   3.242   9.638  -6.459
   82   2HG   LYS  11          2HG       LYS  11   1.727  10.530  -6.291
   83   1HD   LYS  11          1HD       LYS  11   3.364  11.526  -4.277
   84   2HD   LYS  11          2HD       LYS  11   4.429  11.354  -5.672
   85   1HE   LYS  11          1HE       LYS  11   1.744  12.610  -6.023
   86   2HE   LYS  11          2HE       LYS  11   3.053  13.553  -5.310
   87   1HZ   LYS  11          1HZ       LYS  11   4.234  12.451  -7.468
   88   2HZ   LYS  11          2HZ       LYS  11   3.571  14.006  -7.420
   89   3HZ   LYS  11          3HZ       LYS  11   2.666  12.719  -8.040
   90    HA   PRO  12           HA       PRO  12  -2.415   8.412  -2.489
   91   1HB   PRO  12          1HB       PRO  12  -3.752   7.891  -4.823
   92   2HB   PRO  12          2HB       PRO  12  -3.867   9.415  -3.938
   93   1HG   PRO  12          1HG       PRO  12  -2.204   8.731  -6.329
   94   2HG   PRO  12          2HG       PRO  12  -3.125  10.208  -5.992
   95   1HD   PRO  12          1HD       PRO  12  -0.456  10.092  -5.662
   96   2HD   PRO  12          2HD       PRO  12  -1.491  11.056  -4.589
   97    H    VAL  13           H        VAL  13  -2.602   6.310  -2.003
   98    HA   VAL  13           HA       VAL  13  -1.204   4.383  -3.725
   99    HB   VAL  13           HB       VAL  13  -0.860   2.987  -1.832
  100   1HG1  VAL  13          1HG1      VAL  13  -0.328   5.894  -1.308
  101   2HG1  VAL  13          2HG1      VAL  13   0.788   4.643  -1.857
  102   3HG1  VAL  13          3HG1      VAL  13   0.214   4.642  -0.188
  103   1HG2  VAL  13          1HG2      VAL  13  -1.744   3.503   0.402
  104   2HG2  VAL  13          2HG2      VAL  13  -3.038   3.213  -0.762
  105   3HG2  VAL  13          3HG2      VAL  13  -2.645   4.860  -0.275
  106    H    SER  14           H        SER  14  -4.305   5.310  -2.620
  107    HA   SER  14           HA       SER  14  -5.675   2.880  -2.594
  108   1HB   SER  14          1HB       SER  14  -6.921   5.416  -3.636
  109   2HB   SER  14          2HB       SER  14  -7.657   4.142  -2.658
  110    HG   SER  14           HG       SER  14  -6.462   6.377  -1.840
  111    H    ALA  15           H        ALA  15  -5.429   5.220  -5.284
  112    HA   ALA  15           HA       ALA  15  -6.743   3.667  -7.193
  113   1HB   ALA  15          1HB       ALA  15  -4.763   5.897  -7.364
  114   2HB   ALA  15          2HB       ALA  15  -6.468   5.873  -7.816
  115   3HB   ALA  15          3HB       ALA  15  -5.275   5.054  -8.825
  116    H    TYR  16           H        TYR  16  -3.469   3.531  -6.009
  117    HA   TYR  16           HA       TYR  16  -2.587   1.775  -8.133
  118   1HB   TYR  16          1HB       TYR  16  -1.329   3.175  -5.836
  119   2HB   TYR  16          2HB       TYR  16  -0.553   1.700  -6.398
  120    HD1  TYR  16           HD1      TYR  16   0.070   1.550  -8.874
  121    HD2  TYR  16           HD2      TYR  16  -0.997   5.202  -6.967
  122    HE1  TYR  16           HE1      TYR  16   1.151   2.808 -10.689
  123    HE2  TYR  16           HE2      TYR  16   0.081   6.469  -8.777
  124    HH   TYR  16           HH       TYR  16   2.205   5.153 -10.931
  125    H    PHE  17           H        PHE  17  -3.812   1.531  -4.889
  126    HA   PHE  17           HA       PHE  17  -2.866  -0.890  -4.012
  127   1HB   PHE  17          1HB       PHE  17  -5.436   0.562  -3.643
  128   2HB   PHE  17          2HB       PHE  17  -5.395  -1.128  -3.157
  129    HD1  PHE  17           HD1      PHE  17  -2.249   0.589  -2.860
  130    HD2  PHE  17           HD2      PHE  17  -5.936  -0.210  -0.886
  131    HE1  PHE  17           HE1      PHE  17  -1.236   1.228  -0.712
  132    HE2  PHE  17           HE2      PHE  17  -4.926   0.428   1.264
  133    HZ   PHE  17           HZ       PHE  17  -2.576   1.149   1.352
  134    H    ASN  18           H        ASN  18  -5.054  -0.271  -6.629
  135    HA   ASN  18           HA       ASN  18  -6.175  -2.842  -6.905
  136   1HB   ASN  18          1HB       ASN  18  -5.601  -0.766  -9.033
  137   2HB   ASN  18          2HB       ASN  18  -6.659  -2.161  -9.229
  138   1HD2  ASN  18          1HD2      ASN  18  -7.497   0.451  -9.641
  139   2HD2  ASN  18          2HD2      ASN  18  -8.668   0.858  -8.429
  140    H    GLU  19           H        GLU  19  -3.174  -1.396  -8.011
  141    HA   GLU  19           HA       GLU  19  -2.357  -3.470  -9.741
  142   1HB   GLU  19          1HB       GLU  19  -1.390  -1.013  -9.161
  143   2HB   GLU  19          2HB       GLU  19  -0.268  -2.002  -8.237
  144   1HG   GLU  19          1HG       GLU  19   0.805  -1.794 -10.258
  145   2HG   GLU  19          2HG       GLU  19  -0.022  -3.343 -10.434
  146    H    TYR  20           H        TYR  20  -1.642  -2.806  -6.332
  147    HA   TYR  20           HA       TYR  20  -0.012  -5.013  -5.806
  148   1HB   TYR  20          1HB       TYR  20  -0.152  -3.301  -4.165
  149   2HB   TYR  20          2HB       TYR  20  -1.901  -3.419  -4.074
  150    HD1  TYR  20           HD1      TYR  20   1.257  -4.726  -2.859
  151    HD2  TYR  20           HD2      TYR  20  -2.953  -5.331  -2.907
  152    HE1  TYR  20           HE1      TYR  20   1.459  -6.253  -0.939
  153    HE2  TYR  20           HE2      TYR  20  -2.764  -6.859  -0.991
  154    HH   TYR  20           HH       TYR  20   0.338  -7.912   0.222
  155    H    GLN  21           H        GLN  21  -3.521  -4.645  -5.522
  156    HA   GLN  21           HA       GLN  21  -4.145  -7.178  -4.559
  157   1HB   GLN  21          1HB       GLN  21  -5.754  -5.312  -4.707
  158   2HB   GLN  21          2HB       GLN  21  -5.771  -5.476  -6.458
  159   1HG   GLN  21          1HG       GLN  21  -7.028  -7.374  -6.413
  160   2HG   GLN  21          2HG       GLN  21  -6.440  -7.861  -4.824
  161   1HE2  GLN  21          1HE2      GLN  21  -7.026  -6.051  -3.115
  162   2HE2  GLN  21          2HE2      GLN  21  -8.697  -5.618  -3.105
  163    H    ARG  22           H        ARG  22  -4.295  -6.094  -7.956
  164    HA   ARG  22           HA       ARG  22  -4.840  -8.516  -9.149
  165   1HB   ARG  22          1HB       ARG  22  -3.119  -6.248 -10.163
  166   2HB   ARG  22          2HB       ARG  22  -3.680  -7.579 -11.164
  167   1HG   ARG  22          1HG       ARG  22  -5.680  -5.984  -9.645
  168   2HG   ARG  22          2HG       ARG  22  -4.964  -5.301 -11.106
  169   1HD   ARG  22          1HD       ARG  22  -5.997  -6.784 -12.474
  170   2HD   ARG  22          2HD       ARG  22  -5.934  -8.086 -11.286
  171    HE   ARG  22           HE       ARG  22  -7.745  -6.018 -10.523
  172   1HH1  ARG  22          1HH1      ARG  22  -7.381  -8.829 -12.544
  173   2HH1  ARG  22          2HH1      ARG  22  -9.076  -9.181 -12.583
  174   1HH2  ARG  22          1HH2      ARG  22  -9.980  -6.472 -10.567
  175   2HH2  ARG  22          2HH2      ARG  22 -10.554  -7.841 -11.459
  176    H    ARG  23           H        ARG  23  -1.637  -7.124  -8.479
  177    HA   ARG  23           HA       ARG  23  -0.138  -9.279  -9.475
  178   1HB   ARG  23          1HB       ARG  23   0.377  -6.851  -7.997
  179   2HB   ARG  23          2HB       ARG  23   1.431  -8.176  -7.505
  180   1HG   ARG  23          1HG       ARG  23   2.637  -7.375  -9.241
  181   2HG   ARG  23          2HG       ARG  23   1.620  -8.504 -10.119
  182   1HD   ARG  23          1HD       ARG  23   0.063  -6.673 -10.627
  183   2HD   ARG  23          2HD       ARG  23   1.148  -5.543  -9.814
  184    HE   ARG  23           HE       ARG  23   2.529  -5.589 -11.650
  185   1HH1  ARG  23          1HH1      ARG  23   0.194  -8.163 -11.880
  186   2HH1  ARG  23          2HH1      ARG  23   0.602  -8.562 -13.515
  187   1HH2  ARG  23          1HH2      ARG  23   3.075  -6.106 -13.803
  188   2HH2  ARG  23          2HH2      ARG  23   2.240  -7.392 -14.608
  189    H    VAL  24           H        VAL  24  -0.646  -8.404  -6.050
  190    HA   VAL  24           HA       VAL  24   0.350 -10.742  -4.936
  191    HB   VAL  24           HB       VAL  24  -1.906  -9.079  -3.811
  192   1HG1  VAL  24          1HG1      VAL  24  -1.123  -9.872  -1.648
  193   2HG1  VAL  24          2HG1      VAL  24   0.132 -10.828  -2.437
  194   3HG1  VAL  24          3HG1      VAL  24  -1.567 -11.229  -2.683
  195   1HG2  VAL  24          1HG2      VAL  24   0.543  -8.410  -2.601
  196   2HG2  VAL  24          2HG2      VAL  24  -0.463  -7.401  -3.641
  197   3HG2  VAL  24          3HG2      VAL  24   0.821  -8.385  -4.342
  198    H    ALA  25           H        ALA  25  -2.677 -10.157  -6.506
  199    HA   ALA  25           HA       ALA  25  -4.204 -12.243  -5.392
  200   1HB   ALA  25          1HB       ALA  25  -5.518 -10.778  -6.554
  201   2HB   ALA  25          2HB       ALA  25  -5.360 -12.063  -7.750
  202   3HB   ALA  25          3HB       ALA  25  -4.362 -10.614  -7.876
  203    H    ASP  26           H        ASP  26  -2.337 -12.131  -8.429
  204    HA   ASP  26           HA       ASP  26  -2.714 -14.922  -8.941
  205   1HB   ASP  26          1HB       ASP  26  -2.373 -13.251 -10.747
  206   2HB   ASP  26          2HB       ASP  26  -0.724 -13.007 -10.181
  207    H    GLY  27           H        GLY  27  -0.409 -13.026  -7.193
  208   1HA   GLY  27          1HA       GLY  27   0.861 -14.291  -5.498
  209   2HA   GLY  27          2HA       GLY  27   1.200 -15.467  -6.758
  210    H    GLU  28           H        GLU  28   1.262 -12.104  -7.567
  211    HA   GLU  28           HA       GLU  28   4.050 -12.287  -8.258
  212   1HB   GLU  28          1HB       GLU  28   2.249  -9.861  -8.363
  213   2HB   GLU  28          2HB       GLU  28   3.772 -10.086  -9.211
  214   1HG   GLU  28          1HG       GLU  28   2.353 -12.224 -10.094
  215   2HG   GLU  28          2HG       GLU  28   1.084 -11.020  -9.885
  216    H    ASP  29           H        ASP  29   5.744 -11.071  -7.408
  217    HA   ASP  29           HA       ASP  29   5.804 -10.720  -4.644
  218   1HB   ASP  29          1HB       ASP  29   7.622 -10.473  -6.808
  219   2HB   ASP  29          2HB       ASP  29   7.727  -8.986  -5.871
  220    HA   PRO  30           HA       PRO  30   3.336  -6.918  -4.551
  221   1HB   PRO  30          1HB       PRO  30   4.072  -7.028  -1.691
  222   2HB   PRO  30          2HB       PRO  30   2.480  -6.922  -2.443
  223   1HG   PRO  30          1HG       PRO  30   3.336  -9.190  -1.298
  224   2HG   PRO  30          2HG       PRO  30   2.312  -9.201  -2.746
  225   1HD   PRO  30          1HD       PRO  30   5.249  -9.676  -2.494
  226   2HD   PRO  30          2HD       PRO  30   4.067 -10.454  -3.566
  227    H    LYS  31           H        LYS  31   6.387  -7.362  -2.771
  228    HA   LYS  31           HA       LYS  31   7.101  -4.756  -2.300
  229   1HB   LYS  31          1HB       LYS  31   8.426  -7.280  -2.392
  230   2HB   LYS  31          2HB       LYS  31   9.436  -6.095  -3.204
  231   1HG   LYS  31          1HG       LYS  31   9.713  -4.821  -1.297
  232   2HG   LYS  31          2HG       LYS  31   8.257  -5.466  -0.533
  233   1HD   LYS  31          1HD       LYS  31   9.304  -7.463   0.056
  234   2HD   LYS  31          2HD       LYS  31  10.593  -7.247  -1.129
  235   1HE   LYS  31          1HE       LYS  31  11.705  -5.677   0.178
  236   2HE   LYS  31          2HE       LYS  31  10.269  -5.322   1.140
  237   1HZ   LYS  31          1HZ       LYS  31  10.734  -7.974   1.580
  238   2HZ   LYS  31          2HZ       LYS  31  11.125  -6.708   2.632
  239   3HZ   LYS  31          3HZ       LYS  31  12.287  -7.302   1.557
  240    H    ASP  32           H        ASP  32   7.462  -6.598  -5.295
  241    HA   ASP  32           HA       ASP  32   8.775  -4.561  -6.770
  242   1HB   ASP  32          1HB       ASP  32   7.720  -7.196  -7.273
  243   2HB   ASP  32          2HB       ASP  32   7.217  -6.096  -8.552
  244    H    VAL  33           H        VAL  33   5.409  -5.412  -6.187
  245    HA   VAL  33           HA       VAL  33   4.210  -3.609  -7.982
  246    HB   VAL  33           HB       VAL  33   3.126  -4.501  -5.307
  247   1HG1  VAL  33          1HG1      VAL  33   2.126  -2.737  -7.347
  248   2HG1  VAL  33          2HG1      VAL  33   1.442  -3.125  -5.767
  249   3HG1  VAL  33          3HG1      VAL  33   1.067  -4.136  -7.164
  250   1HG2  VAL  33          1HG2      VAL  33   3.658  -6.450  -6.596
  251   2HG2  VAL  33          2HG2      VAL  33   2.900  -5.760  -8.034
  252   3HG2  VAL  33          3HG2      VAL  33   1.910  -6.210  -6.645
  253    H    LEU  34           H        LEU  34   5.254  -3.273  -4.611
  254    HA   LEU  34           HA       LEU  34   4.288  -0.758  -4.025
  255   1HB   LEU  34          1HB       LEU  34   6.768  -2.216  -3.207
  256   2HB   LEU  34          2HB       LEU  34   6.537  -0.557  -2.707
  257    HG   LEU  34           HG       LEU  34   5.829  -2.356  -1.055
  258   1HD1  LEU  34          1HD1      LEU  34   4.418  -0.874  -0.109
  259   2HD1  LEU  34          2HD1      LEU  34   3.447  -0.700  -1.571
  260   3HD1  LEU  34          3HD1      LEU  34   4.976   0.165  -1.421
  261   1HD2  LEU  34          1HD2      LEU  34   4.709  -3.934  -2.376
  262   2HD2  LEU  34          2HD2      LEU  34   3.722  -2.702  -3.163
  263   3HD2  LEU  34          3HD2      LEU  34   3.436  -3.115  -1.474
  264    H    ASP  35           H        ASP  35   7.181  -1.657  -5.827
  265    HA   ASP  35           HA       ASP  35   8.227   0.919  -6.199
  266   1HB   ASP  35          1HB       ASP  35   9.355  -1.297  -6.743
  267   2HB   ASP  35          2HB       ASP  35   8.380  -1.334  -8.210
  268    H    ASP  36           H        ASP  36   5.714  -0.894  -7.807
  269    HA   ASP  36           HA       ASP  36   5.337   1.048  -9.912
  270   1HB   ASP  36          1HB       ASP  36   4.596  -1.646  -9.460
  271   2HB   ASP  36          2HB       ASP  36   3.098  -0.733  -9.603
  272    H    LEU  37           H        LEU  37   3.633   0.054  -6.972
  273    HA   LEU  37           HA       LEU  37   1.337   1.537  -7.089
  274   1HB   LEU  37          1HB       LEU  37   3.135   0.771  -4.824
  275   2HB   LEU  37          2HB       LEU  37   1.740   1.785  -4.517
  276    HG   LEU  37           HG       LEU  37   1.120  -0.630  -6.060
  277   1HD1  LEU  37          1HD1      LEU  37   2.455  -0.799  -3.398
  278   2HD1  LEU  37          2HD1      LEU  37   2.617  -1.847  -4.806
  279   3HD1  LEU  37          3HD1      LEU  37   1.170  -1.934  -3.804
  280   1HD2  LEU  37          1HD2      LEU  37  -0.874  -0.253  -5.160
  281   2HD2  LEU  37          2HD2      LEU  37  -0.201   1.215  -4.452
  282   3HD2  LEU  37          3HD2      LEU  37  -0.213  -0.286  -3.525
  283    H    GLY  38           H        GLY  38   4.465   2.629  -5.784
  284   1HA   GLY  38          1HA       GLY  38   5.386   4.767  -6.152
  285   2HA   GLY  38          2HA       GLY  38   3.795   5.358  -6.599
  286    H    LEU  39           H        LEU  39   5.209   3.788  -3.722
  287    HA   LEU  39           HA       LEU  39   4.042   5.960  -2.108
  288   1HB   LEU  39          1HB       LEU  39   4.645   3.353  -0.832
  289   2HB   LEU  39          2HB       LEU  39   3.345   4.485  -0.513
  290    HG   LEU  39           HG       LEU  39   2.414   3.695  -2.803
  291   1HD1  LEU  39          1HD1      LEU  39   4.652   1.855  -2.342
  292   2HD1  LEU  39          2HD1      LEU  39   3.827   2.294  -3.838
  293   3HD1  LEU  39          3HD1      LEU  39   3.123   1.082  -2.766
  294   1HD2  LEU  39          1HD2      LEU  39   1.713   3.163  -0.319
  295   2HD2  LEU  39          2HD2      LEU  39   2.259   1.547  -0.764
  296   3HD2  LEU  39          3HD2      LEU  39   0.976   2.328  -1.687
  297    H    LYS  40           H        LYS  40   5.755   7.290  -1.819
  298    HA   LYS  40           HA       LYS  40   8.429   6.568  -1.588
  299   1HB   LYS  40          1HB       LYS  40   6.818   8.962  -1.052
  300   2HB   LYS  40          2HB       LYS  40   8.268   8.848  -0.064
  301   1HG   LYS  40          1HG       LYS  40   9.205   9.897  -1.816
  302   2HG   LYS  40          2HG       LYS  40   9.309   8.260  -2.468
  303   1HD   LYS  40          1HD       LYS  40   8.340   9.384  -4.227
  304   2HD   LYS  40          2HD       LYS  40   6.915   8.783  -3.377
  305   1HE   LYS  40          1HE       LYS  40   6.254  10.845  -2.754
  306   2HE   LYS  40          2HE       LYS  40   7.904  11.406  -2.483
  307   1HZ   LYS  40          1HZ       LYS  40   8.185  11.699  -4.842
  308   2HZ   LYS  40          2HZ       LYS  40   6.810  12.546  -4.338
  309   3HZ   LYS  40          3HZ       LYS  40   6.644  11.073  -5.151
  310    H    ARG  41           H        ARG  41   9.836   6.397   0.199
  311    HA   ARG  41           HA       ARG  41  10.499   5.626   2.232
  312   1HB   ARG  41          1HB       ARG  41   7.949   7.016   3.064
  313   2HB   ARG  41          2HB       ARG  41   9.084   6.314   4.209
  314   1HG   ARG  41          1HG       ARG  41  10.846   7.805   3.292
  315   2HG   ARG  41          2HG       ARG  41   9.610   8.572   2.291
  316   1HD   ARG  41          1HD       ARG  41   8.946   9.847   3.984
  317   2HD   ARG  41          2HD       ARG  41   8.727   8.436   5.019
  318    HE   ARG  41           HE       ARG  41  10.976  10.237   4.985
  319   1HH1  ARG  41          1HH1      ARG  41   9.831   7.067   5.860
  320   2HH1  ARG  41          2HH1      ARG  41  11.044   6.820   7.072
  321   1HH2  ARG  41          1HH2      ARG  41  12.577   9.924   6.578
  322   2HH2  ARG  41          2HH2      ARG  41  12.606   8.445   7.480
  323    H    TYR  42           H        TYR  42  10.278   3.848   3.608
  324    HA   TYR  42           HA       TYR  42   8.345   1.895   2.700
  325   1HB   TYR  42          1HB       TYR  42   9.636   0.280   3.898
  326   2HB   TYR  42          2HB       TYR  42  10.781   1.368   3.119
  327    HD1  TYR  42           HD1      TYR  42  12.412   2.479   4.382
  328    HD2  TYR  42           HD2      TYR  42   9.109   0.672   6.365
  329    HE1  TYR  42           HE1      TYR  42  13.490   2.901   6.551
  330    HE2  TYR  42           HE2      TYR  42  10.178   1.090   8.539
  331    HH   TYR  42           HH       TYR  42  13.379   1.869   8.895
  332    H    CYS  43           H        CYS  43   8.594   4.148   5.255
  333    HA   CYS  43           HA       CYS  43   7.408   2.990   7.422
  334   1HB   CYS  43          1HB       CYS  43   6.358   5.237   7.854
  335   2HB   CYS  43          2HB       CYS  43   8.087   5.282   7.525
  336    H    CYS  44           H        CYS  44   5.936   3.825   4.378
  337    HA   CYS  44           HA       CYS  44   3.254   3.213   5.318
  338   1HB   CYS  44          1HB       CYS  44   3.940   3.608   2.427
  339   2HB   CYS  44          2HB       CYS  44   2.469   4.053   3.292
  340    H    ARG  45           H        ARG  45   5.321   2.030   2.664
  341    HA   ARG  45           HA       ARG  45   3.958  -0.181   1.900
  342   1HB   ARG  45          1HB       ARG  45   6.948  -0.243   2.277
  343   2HB   ARG  45          2HB       ARG  45   5.996  -1.098   1.073
  344   1HG   ARG  45          1HG       ARG  45   5.345   1.195   0.189
  345   2HG   ARG  45          2HG       ARG  45   6.645   1.825   1.203
  346   1HD   ARG  45          1HD       ARG  45   7.482  -0.465  -0.372
  347   2HD   ARG  45          2HD       ARG  45   6.893   0.858  -1.377
  348    HE   ARG  45           HE       ARG  45   8.645   1.905   0.541
  349   1HH1  ARG  45          1HH1      ARG  45   8.694  -0.148  -2.271
  350   2HH1  ARG  45          2HH1      ARG  45  10.320   0.262  -2.703
  351   1HH2  ARG  45          1HH2      ARG  45  10.786   2.453  -0.019
  352   2HH2  ARG  45          2HH2      ARG  45  11.510   1.742  -1.421
  353    H    ARG  46           H        ARG  46   6.347  -0.133   4.555
  354    HA   ARG  46           HA       ARG  46   6.398  -2.724   5.331
  355   1HB   ARG  46          1HB       ARG  46   6.857  -2.004   7.585
  356   2HB   ARG  46          2HB       ARG  46   7.608  -0.875   6.464
  357   1HG   ARG  46          1HG       ARG  46   5.608   0.611   6.786
  358   2HG   ARG  46          2HG       ARG  46   5.106  -0.477   8.082
  359   1HD   ARG  46          1HD       ARG  46   7.316  -0.089   9.169
  360   2HD   ARG  46          2HD       ARG  46   7.652   1.129   7.939
  361    HE   ARG  46           HE       ARG  46   5.230   1.825   9.061
  362   1HH1  ARG  46          1HH1      ARG  46   8.507   1.379  10.152
  363   2HH1  ARG  46          2HH1      ARG  46   8.381   2.545  11.426
  364   1HH2  ARG  46          1HH2      ARG  46   5.053   3.365  10.738
  365   2HH2  ARG  46          2HH2      ARG  46   6.418   3.674  11.759
  366    H    MET  47           H        MET  47   3.845  -0.411   6.147
  367    HA   MET  47           HA       MET  47   2.326  -2.387   7.592
  368   1HB   MET  47          1HB       MET  47   1.715   0.437   6.721
  369   2HB   MET  47          2HB       MET  47   0.570  -0.564   7.602
  370   1HG   MET  47          1HG       MET  47   1.621  -0.272   9.553
  371   2HG   MET  47          2HG       MET  47   3.223  -0.381   8.826
  372   1HE   MET  47          1HE       MET  47   0.150   1.704   8.157
  373   2HE   MET  47          2HE       MET  47   1.162   2.472   6.932
  374   3HE   MET  47          3HE       MET  47   0.660   3.380   8.357
  375    H    LEU  48           H        LEU  48   2.509  -1.139   4.368
  376    HA   LEU  48           HA       LEU  48  -0.057  -2.129   3.553
  377   1HB   LEU  48          1HB       LEU  48   2.232  -1.224   1.812
  378   2HB   LEU  48          2HB       LEU  48   0.550  -1.372   1.343
  379    HG   LEU  48           HG       LEU  48   1.331   0.491   3.550
  380   1HD1  LEU  48          1HD1      LEU  48   2.381   0.678   0.966
  381   2HD1  LEU  48          2HD1      LEU  48   2.368   1.925   2.213
  382   3HD1  LEU  48          3HD1      LEU  48   1.058   1.843   1.036
  383   1HD2  LEU  48          1HD2      LEU  48  -0.629   1.717   2.306
  384   2HD2  LEU  48          2HD2      LEU  48  -0.948   0.422   3.458
  385   3HD2  LEU  48          3HD2      LEU  48  -0.979   0.089   1.725
  386    H    ILE  49           H        ILE  49   3.177  -2.872   2.225
  387    HA   ILE  49           HA       ILE  49   2.605  -5.104   0.804
  388    HB   ILE  49           HB       ILE  49   4.924  -5.994   1.577
  389   1HG1  ILE  49          1HG1      ILE  49   5.560  -3.217   2.332
  390   2HG1  ILE  49          2HG1      ILE  49   4.632  -4.120   3.529
  391   1HG2  ILE  49          1HG2      ILE  49   4.573  -3.368   0.143
  392   2HG2  ILE  49          2HG2      ILE  49   4.534  -4.979  -0.573
  393   3HG2  ILE  49          3HG2      ILE  49   6.036  -4.351   0.106
  394   1HD1  ILE  49          1HD1      ILE  49   7.331  -4.791   2.406
  395   2HD1  ILE  49          2HD1      ILE  49   6.374  -5.914   3.371
  396   3HD1  ILE  49          3HD1      ILE  49   6.912  -4.387   4.070
  397    H    SER  50           H        SER  50   2.761  -4.895   4.276
  398    HA   SER  50           HA       SER  50   2.664  -7.755   4.653
  399   1HB   SER  50          1HB       SER  50   2.488  -5.417   6.560
  400   2HB   SER  50          2HB       SER  50   2.338  -7.094   7.085
  401    HG   SER  50           HG       SER  50   4.548  -5.759   6.771
  402    H    HIS  51           H        HIS  51   0.531  -5.319   6.101
  403    HA   HIS  51           HA       HIS  51  -1.686  -7.175   5.919
  404   1HB   HIS  51          1HB       HIS  51  -1.364  -6.004   8.011
  405   2HB   HIS  51          2HB       HIS  51  -1.438  -4.447   7.195
  406    HD2  HIS  51           HD2      HIS  51  -3.852  -3.309   7.289
  407    HE1  HIS  51           HE1      HIS  51  -6.094  -6.829   7.995
  408    HE2  HIS  51           HE2      HIS  51  -6.203  -4.306   7.756
  409    H    VAL  52           H        VAL  52  -1.723  -3.674   5.433
  410    HA   VAL  52           HA       VAL  52  -2.860  -2.316   4.053
  411    HB   VAL  52           HB       VAL  52  -1.153  -3.232   2.478
  412   1HG1  VAL  52          1HG1      VAL  52  -1.703  -5.445   2.102
  413   2HG1  VAL  52          2HG1      VAL  52  -2.185  -4.643   0.607
  414   3HG1  VAL  52          3HG1      VAL  52  -3.402  -5.079   1.806
  415   1HG2  VAL  52          1HG2      VAL  52  -2.076  -2.136   0.607
  416   2HG2  VAL  52          2HG2      VAL  52  -2.761  -1.346   2.029
  417   3HG2  VAL  52          3HG2      VAL  52  -3.725  -2.507   1.113
  418    H    GLU  53           H        GLU  53  -4.903  -1.815   3.550
  419    HA   GLU  53           HA       GLU  53  -6.910  -3.846   3.974
  420   1HB   GLU  53          1HB       GLU  53  -6.770  -1.108   4.422
  421   2HB   GLU  53          2HB       GLU  53  -7.900  -1.255   3.084
  422   1HG   GLU  53          1HG       GLU  53  -9.016  -3.068   4.553
  423   2HG   GLU  53          2HG       GLU  53  -8.113  -2.309   5.864
  424    H    THR  54           H        THR  54  -7.734  -5.054   2.417
  425    HA   THR  54           HA       THR  54  -7.927  -3.928  -0.297
  426    HB   THR  54           HB       THR  54  -7.625  -6.391  -1.054
  427    HG1  THR  54           HG1      THR  54  -7.570  -7.410   0.938
  428   1HG2  THR  54          1HG2      THR  54  -6.028  -4.374  -1.290
  429   2HG2  THR  54          2HG2      THR  54  -5.370  -5.997  -1.499
  430   3HG2  THR  54          3HG2      THR  54  -5.122  -5.134   0.019
  431    H    TRP  55           H        TRP  55  -9.854  -4.216   1.964
  432    HA   TRP  55           HA       TRP  55 -11.731  -6.217   1.017
  433   1HB   TRP  55          1HB       TRP  55 -11.340  -5.718   3.465
  434   2HB   TRP  55          2HB       TRP  55 -12.144  -4.174   3.206
  435    HD1  TRP  55           HD1      TRP  55 -14.789  -4.208   2.828
  436    HE1  TRP  55           HE1      TRP  55 -16.576  -5.990   3.332
  437    HE3  TRP  55           HE3      TRP  55 -11.734  -8.249   3.514
  438    HZ2  TRP  55           HZ2      TRP  55 -16.677  -8.744   3.940
  439    HZ3  TRP  55           HZ3      TRP  55 -12.756 -10.421   4.054
  440    HH2  TRP  55           HH2      TRP  55 -15.177 -10.662   4.263
  Start of MODEL   16
    1    H    MET   1           H        MET   1  -6.937   7.911   0.228
    2    HA   MET   1           HA       MET   1  -5.745   5.475   1.191
    3   1HB   MET   1          1HB       MET   1  -3.896   6.856   1.874
    4   2HB   MET   1          2HB       MET   1  -4.417   7.376   0.278
    5   1HG   MET   1          1HG       MET   1  -5.233   9.372   1.036
    6   2HG   MET   1          2HG       MET   1  -5.527   8.761   2.663
    7   1HE   MET   1          1HE       MET   1  -2.462   8.686   4.479
    8   2HE   MET   1          2HE       MET   1  -1.869   7.698   3.143
    9   3HE   MET   1          3HE       MET   1  -3.528   7.507   3.712
   10    H    ILE   2           H        ILE   2  -5.339   4.919   3.350
   11    HA   ILE   2           HA       ILE   2  -7.431   5.621   5.167
   12    HB   ILE   2           HB       ILE   2  -4.939   3.963   5.525
   13   1HG1  ILE   2          1HG1      ILE   2  -6.630   2.105   5.614
   14   2HG1  ILE   2          2HG1      ILE   2  -7.858   3.282   5.160
   15   1HG2  ILE   2          1HG2      ILE   2  -5.723   3.249   7.654
   16   2HG2  ILE   2          2HG2      ILE   2  -7.227   4.149   7.469
   17   3HG2  ILE   2          3HG2      ILE   2  -5.702   5.011   7.667
   18   1HD1  ILE   2          1HD1      ILE   2  -5.420   2.792   3.490
   19   2HD1  ILE   2          2HD1      ILE   2  -6.923   3.594   3.035
   20   3HD1  ILE   2          3HD1      ILE   2  -6.902   1.852   3.311
   21    HA   PRO   3           HA       PRO   3  -5.394   9.139   7.006
   22   1HB   PRO   3          1HB       PRO   3  -6.966   9.492   9.127
   23   2HB   PRO   3          2HB       PRO   3  -7.617   9.725   7.496
   24   1HG   PRO   3          1HG       PRO   3  -7.771   7.283   9.256
   25   2HG   PRO   3          2HG       PRO   3  -9.104   8.137   8.435
   26   1HD   PRO   3          1HD       PRO   3  -7.959   5.942   7.363
   27   2HD   PRO   3          2HD       PRO   3  -8.527   7.283   6.348
   28    H    VAL   4           H        VAL   4  -4.647   9.731   9.353
   29    HA   VAL   4           HA       VAL   4  -3.358   9.239  11.167
   30    HB   VAL   4           HB       VAL   4  -5.235   6.940  10.966
   31   1HG1  VAL   4          1HG1      VAL   4  -4.185   6.039  13.152
   32   2HG1  VAL   4          2HG1      VAL   4  -2.709   6.814  12.576
   33   3HG1  VAL   4          3HG1      VAL   4  -3.481   5.557  11.606
   34   1HG2  VAL   4          1HG2      VAL   4  -4.592   9.115  12.903
   35   2HG2  VAL   4          2HG2      VAL   4  -5.497   7.698  13.437
   36   3HG2  VAL   4          3HG2      VAL   4  -6.125   8.706  12.133
   37    H    ARG   5           H        ARG   5  -3.457   6.008   9.712
   38    HA   ARG   5           HA       ARG   5  -0.701   5.538   9.965
   39   1HB   ARG   5          1HB       ARG   5  -3.024   4.149   9.060
   40   2HB   ARG   5          2HB       ARG   5  -1.761   3.949   7.849
   41   1HG   ARG   5          1HG       ARG   5  -1.466   2.139   9.278
   42   2HG   ARG   5          2HG       ARG   5  -0.256   3.301   9.828
   43   1HD   ARG   5          1HD       ARG   5  -2.924   3.461  11.092
   44   2HD   ARG   5          2HD       ARG   5  -1.948   2.047  11.486
   45    HE   ARG   5           HE       ARG   5  -1.520   4.732  12.365
   46   1HH1  ARG   5          1HH1      ARG   5   0.071   1.734  11.585
   47   2HH1  ARG   5          2HH1      ARG   5   1.435   2.042  12.608
   48   1HH2  ARG   5          1HH2      ARG   5   0.271   5.148  13.714
   49   2HH2  ARG   5          2HH2      ARG   5   1.548   3.982  13.818
   50    H    CYS   6           H        CYS   6   0.820   5.114   8.195
   51    HA   CYS   6           HA       CYS   6   0.711   7.236   6.204
   52   1HB   CYS   6          1HB       CYS   6   2.784   5.951   7.672
   53   2HB   CYS   6          2HB       CYS   6   3.076   5.654   5.961
   54    H    LEU   7           H        LEU   7  -0.431   6.741   4.456
   55    HA   LEU   7           HA       LEU   7   0.252   4.284   3.014
   56   1HB   LEU   7          1HB       LEU   7  -2.521   5.426   3.315
   57   2HB   LEU   7          2HB       LEU   7  -2.100   4.049   2.325
   58    HG   LEU   7           HG       LEU   7  -3.003   3.006   4.154
   59   1HD1  LEU   7          1HD1      LEU   7  -0.295   2.736   3.944
   60   2HD1  LEU   7          2HD1      LEU   7  -1.348   1.753   4.955
   61   3HD1  LEU   7          3HD1      LEU   7  -0.505   3.132   5.647
   62   1HD2  LEU   7          1HD2      LEU   7  -1.701   4.862   6.104
   63   2HD2  LEU   7          2HD2      LEU   7  -3.117   3.836   6.323
   64   3HD2  LEU   7          3HD2      LEU   7  -3.220   5.276   5.310
   65    H    SER   8           H        SER   8   1.331   6.845   2.660
   66    HA   SER   8           HA       SER   8   0.929   7.229  -0.110
   67   1HB   SER   8          1HB       SER   8  -0.436   9.146   1.767
   68   2HB   SER   8          2HB       SER   8   0.121   9.677   0.180
   69    HG   SER   8           HG       SER   8  -1.852   8.977  -0.278
   70    H    CYS   9           H        CYS   9   1.573   9.573   2.493
   71    HA   CYS   9           HA       CYS   9   3.469  10.667   3.121
   72   1HB   CYS   9          1HB       CYS   9   4.424   8.169   2.119
   73   2HB   CYS   9          2HB       CYS   9   5.521   9.436   1.582
   74    H    GLY  10           H        GLY  10   2.011  10.994   0.364
   75   1HA   GLY  10          1HA       GLY  10   2.664  13.356  -0.507
   76   2HA   GLY  10          2HA       GLY  10   4.111  12.504  -1.026
   77    H    LYS  11           H        LYS  11   2.579  10.051  -1.626
   78    HA   LYS  11           HA       LYS  11   1.142  10.979  -4.017
   79   1HB   LYS  11          1HB       LYS  11   3.556   9.473  -3.903
   80   2HB   LYS  11          2HB       LYS  11   2.290   8.424  -4.532
   81   1HG   LYS  11          1HG       LYS  11   3.506   9.600  -6.306
   82   2HG   LYS  11          2HG       LYS  11   1.796  10.034  -6.274
   83   1HD   LYS  11          1HD       LYS  11   2.276  12.085  -5.148
   84   2HD   LYS  11          2HD       LYS  11   3.974  11.645  -4.981
   85   1HE   LYS  11          1HE       LYS  11   2.495  12.165  -7.558
   86   2HE   LYS  11          2HE       LYS  11   3.676  13.233  -6.799
   87   1HZ   LYS  11          1HZ       LYS  11   4.906  12.133  -8.395
   88   2HZ   LYS  11          2HZ       LYS  11   4.121  10.654  -8.154
   89   3HZ   LYS  11          3HZ       LYS  11   5.233  11.218  -7.010
   90    HA   PRO  12           HA       PRO  12  -2.202   8.478  -2.602
   91   1HB   PRO  12          1HB       PRO  12  -3.345   7.881  -5.023
   92   2HB   PRO  12          2HB       PRO  12  -3.561   9.414  -4.174
   93   1HG   PRO  12          1HG       PRO  12  -1.722   8.738  -6.431
   94   2HG   PRO  12          2HG       PRO  12  -2.679  10.207  -6.167
   95   1HD   PRO  12          1HD       PRO  12  -0.033  10.108  -5.657
   96   2HD   PRO  12          2HD       PRO  12  -1.143  11.090  -4.683
   97    H    VAL  13           H        VAL  13  -2.498   6.375  -2.136
   98    HA   VAL  13           HA       VAL  13  -0.942   4.411  -3.681
   99    HB   VAL  13           HB       VAL  13  -0.750   3.059  -1.721
  100   1HG1  VAL  13          1HG1      VAL  13   0.267   4.735  -0.074
  101   2HG1  VAL  13          2HG1      VAL  13  -0.194   5.972  -1.244
  102   3HG1  VAL  13          3HG1      VAL  13   0.930   4.695  -1.710
  103   1HG2  VAL  13          1HG2      VAL  13  -2.574   5.030  -0.340
  104   2HG2  VAL  13          2HG2      VAL  13  -1.766   3.662   0.427
  105   3HG2  VAL  13          3HG2      VAL  13  -2.993   3.385  -0.809
  106    H    SER  14           H        SER  14  -4.067   5.149  -2.287
  107    HA   SER  14           HA       SER  14  -5.388   2.745  -2.510
  108   1HB   SER  14          1HB       SER  14  -6.792   5.266  -3.325
  109   2HB   SER  14          2HB       SER  14  -7.368   3.944  -2.302
  110    HG   SER  14           HG       SER  14  -6.293   6.221  -1.532
  111    H    ALA  15           H        ALA  15  -5.042   5.242  -5.024
  112    HA   ALA  15           HA       ALA  15  -6.518   3.963  -7.020
  113   1HB   ALA  15          1HB       ALA  15  -5.733   6.311  -7.108
  114   2HB   ALA  15          2HB       ALA  15  -5.399   5.409  -8.585
  115   3HB   ALA  15          3HB       ALA  15  -4.104   5.721  -7.430
  116    H    TYR  16           H        TYR  16  -3.205   3.525  -5.963
  117    HA   TYR  16           HA       TYR  16  -2.575   1.748  -8.154
  118   1HB   TYR  16          1HB       TYR  16  -1.101   3.007  -5.899
  119   2HB   TYR  16          2HB       TYR  16  -0.447   1.514  -6.563
  120    HD1  TYR  16           HD1      TYR  16  -0.999   5.059  -7.133
  121    HD2  TYR  16           HD2      TYR  16   0.264   1.418  -8.937
  122    HE1  TYR  16           HE1      TYR  16   0.020   6.332  -8.974
  123    HE2  TYR  16           HE2      TYR  16   1.287   2.680 -10.783
  124    HH   TYR  16           HH       TYR  16   0.817   5.107 -11.838
  125    H    PHE  17           H        PHE  17  -3.701   1.512  -4.892
  126    HA   PHE  17           HA       PHE  17  -2.848  -0.915  -3.994
  127   1HB   PHE  17          1HB       PHE  17  -5.466   0.501  -3.752
  128   2HB   PHE  17          2HB       PHE  17  -5.355  -1.152  -3.169
  129    HD1  PHE  17           HD1      PHE  17  -2.234   0.516  -2.846
  130    HD2  PHE  17           HD2      PHE  17  -6.060   0.083  -1.028
  131    HE1  PHE  17           HE1      PHE  17  -1.310   1.327  -0.717
  132    HE2  PHE  17           HE2      PHE  17  -5.140   0.895   1.103
  133    HZ   PHE  17           HZ       PHE  17  -2.767   1.519   1.259
  134    H    ASN  18           H        ASN  18  -5.150  -0.319  -6.567
  135    HA   ASN  18           HA       ASN  18  -6.210  -2.881  -6.874
  136   1HB   ASN  18          1HB       ASN  18  -5.856  -0.511  -8.626
  137   2HB   ASN  18          2HB       ASN  18  -6.134  -2.049  -9.438
  138   1HD2  ASN  18          1HD2      ASN  18  -7.908   0.065  -9.595
  139   2HD2  ASN  18          2HD2      ASN  18  -9.377  -0.370  -8.781
  140    H    GLU  19           H        GLU  19  -3.203  -1.464  -8.059
  141    HA   GLU  19           HA       GLU  19  -2.376  -3.598  -9.691
  142   1HB   GLU  19          1HB       GLU  19  -1.381  -1.148  -9.208
  143   2HB   GLU  19          2HB       GLU  19  -0.307  -2.088  -8.182
  144   1HG   GLU  19          1HG       GLU  19   0.793  -1.908 -10.236
  145   2HG   GLU  19          2HG       GLU  19   0.131  -3.541 -10.208
  146    H    TYR  20           H        TYR  20  -1.592  -2.840  -6.303
  147    HA   TYR  20           HA       TYR  20  -0.044  -5.077  -5.712
  148   1HB   TYR  20          1HB       TYR  20  -0.177  -3.316  -4.105
  149   2HB   TYR  20          2HB       TYR  20  -1.928  -3.436  -4.012
  150    HD1  TYR  20           HD1      TYR  20  -2.978  -5.332  -2.818
  151    HD2  TYR  20           HD2      TYR  20   1.232  -4.725  -2.783
  152    HE1  TYR  20           HE1      TYR  20  -2.783  -6.836  -0.882
  153    HE2  TYR  20           HE2      TYR  20   1.439  -6.227  -0.847
  154    HH   TYR  20           HH       TYR  20   0.259  -7.977   0.261
  155    H    GLN  21           H        GLN  21  -3.543  -4.623  -5.446
  156    HA   GLN  21           HA       GLN  21  -4.284  -7.117  -4.493
  157   1HB   GLN  21          1HB       GLN  21  -5.857  -5.280  -4.713
  158   2HB   GLN  21          2HB       GLN  21  -5.728  -5.352  -6.466
  159   1HG   GLN  21          1HG       GLN  21  -7.765  -6.399  -5.590
  160   2HG   GLN  21          2HG       GLN  21  -6.761  -7.511  -6.511
  161   1HE2  GLN  21          1HE2      GLN  21  -7.961  -6.649  -3.368
  162   2HE2  GLN  21          2HE2      GLN  21  -7.502  -8.109  -2.565
  163    H    ARG  22           H        ARG  22  -4.631  -6.167  -7.896
  164    HA   ARG  22           HA       ARG  22  -5.024  -8.600  -9.034
  165   1HB   ARG  22          1HB       ARG  22  -5.135  -6.553 -10.323
  166   2HB   ARG  22          2HB       ARG  22  -3.405  -6.297 -10.136
  167   1HG   ARG  22          1HG       ARG  22  -3.719  -7.114 -12.320
  168   2HG   ARG  22          2HG       ARG  22  -3.070  -8.462 -11.384
  169   1HD   ARG  22          1HD       ARG  22  -5.390  -9.294 -11.078
  170   2HD   ARG  22          2HD       ARG  22  -5.952  -8.008 -12.145
  171    HE   ARG  22           HE       ARG  22  -4.695 -10.459 -12.918
  172   1HH1  ARG  22          1HH1      ARG  22  -5.187  -7.129 -13.809
  173   2HH1  ARG  22          2HH1      ARG  22  -4.949  -7.411 -15.501
  174   1HH2  ARG  22          1HH2      ARG  22  -4.379 -10.843 -15.145
  175   2HH2  ARG  22          2HH2      ARG  22  -4.490  -9.522 -16.261
  176    H    ARG  23           H        ARG  23  -1.820  -7.112  -8.525
  177    HA   ARG  23           HA       ARG  23  -0.323  -9.272  -9.516
  178   1HB   ARG  23          1HB       ARG  23   0.218  -6.820  -7.993
  179   2HB   ARG  23          2HB       ARG  23   1.326  -8.138  -7.630
  180   1HG   ARG  23          1HG       ARG  23   2.320  -6.893  -9.362
  181   2HG   ARG  23          2HG       ARG  23   1.693  -8.363 -10.111
  182   1HD   ARG  23          1HD       ARG  23  -0.429  -6.640 -10.315
  183   2HD   ARG  23          2HD       ARG  23   0.954  -5.570 -10.544
  184    HE   ARG  23           HE       ARG  23   1.047  -7.985 -12.114
  185   1HH1  ARG  23          1HH1      ARG  23  -0.031  -4.678 -11.964
  186   2HH1  ARG  23          2HH1      ARG  23  -0.114  -4.491 -13.684
  187   1HH2  ARG  23          1HH2      ARG  23   0.941  -7.749 -14.383
  188   2HH2  ARG  23          2HH2      ARG  23   0.438  -6.236 -15.059
  189    H    VAL  24           H        VAL  24  -0.684  -8.328  -6.092
  190    HA   VAL  24           HA       VAL  24   0.377 -10.562  -4.917
  191    HB   VAL  24           HB       VAL  24  -2.014  -9.021  -3.900
  192   1HG1  VAL  24          1HG1      VAL  24  -0.852  -9.725  -1.671
  193   2HG1  VAL  24          2HG1      VAL  24  -0.172 -11.015  -2.662
  194   3HG1  VAL  24          3HG1      VAL  24  -1.921 -10.852  -2.507
  195   1HG2  VAL  24          1HG2      VAL  24   0.594  -8.125  -4.408
  196   2HG2  VAL  24          2HG2      VAL  24   0.485  -8.346  -2.661
  197   3HG2  VAL  24          3HG2      VAL  24  -0.667  -7.302  -3.491
  198    H    ALA  25           H        ALA  25  -2.795 -10.188  -6.353
  199    HA   ALA  25           HA       ALA  25  -4.068 -12.438  -5.284
  200   1HB   ALA  25          1HB       ALA  25  -5.598 -11.195  -6.389
  201   2HB   ALA  25          2HB       ALA  25  -5.210 -12.302  -7.706
  202   3HB   ALA  25          3HB       ALA  25  -4.458 -10.709  -7.644
  203    H    ASP  26           H        ASP  26  -2.533 -12.145  -8.494
  204    HA   ASP  26           HA       ASP  26  -2.615 -14.883  -9.097
  205   1HB   ASP  26          1HB       ASP  26  -2.161 -12.873 -10.652
  206   2HB   ASP  26          2HB       ASP  26  -0.484 -13.025 -10.135
  207    H    GLY  27           H        GLY  27  -0.332 -12.966  -7.279
  208   1HA   GLY  27          1HA       GLY  27   0.903 -14.235  -5.555
  209   2HA   GLY  27          2HA       GLY  27   1.247 -15.419  -6.807
  210    H    GLU  28           H        GLU  28   1.342 -12.003  -7.489
  211    HA   GLU  28           HA       GLU  28   4.139 -12.220  -8.193
  212   1HB   GLU  28          1HB       GLU  28   2.250  -9.864  -8.380
  213   2HB   GLU  28          2HB       GLU  28   3.864  -9.939  -9.070
  214   1HG   GLU  28          1HG       GLU  28   2.665 -12.167 -10.118
  215   2HG   GLU  28          2HG       GLU  28   1.348 -10.996 -10.075
  216    H    ASP  29           H        ASP  29   5.818 -11.010  -7.314
  217    HA   ASP  29           HA       ASP  29   5.826 -10.655  -4.550
  218   1HB   ASP  29          1HB       ASP  29   7.632  -9.840  -6.781
  219   2HB   ASP  29          2HB       ASP  29   7.890  -9.113  -5.197
  220    HA   PRO  30           HA       PRO  30   3.321  -6.871  -4.516
  221   1HB   PRO  30          1HB       PRO  30   4.031  -6.999  -1.643
  222   2HB   PRO  30          2HB       PRO  30   2.448  -6.854  -2.409
  223   1HG   PRO  30          1HG       PRO  30   3.238  -9.153  -1.287
  224   2HG   PRO  30          2HG       PRO  30   2.253  -9.129  -2.761
  225   1HD   PRO  30          1HD       PRO  30   5.173  -9.658  -2.440
  226   2HD   PRO  30          2HD       PRO  30   4.006 -10.395  -3.557
  227    H    LYS  31           H        LYS  31   6.360  -7.319  -2.741
  228    HA   LYS  31           HA       LYS  31   7.055  -4.697  -2.253
  229   1HB   LYS  31          1HB       LYS  31   8.385  -7.230  -2.311
  230   2HB   LYS  31          2HB       LYS  31   9.413  -6.026  -3.073
  231   1HG   LYS  31          1HG       LYS  31   9.677  -4.823  -1.145
  232   2HG   LYS  31          2HG       LYS  31   8.135  -5.360  -0.473
  233   1HD   LYS  31          1HD       LYS  31   9.779  -6.443   0.813
  234   2HD   LYS  31          2HD       LYS  31   9.190  -7.670  -0.312
  235   1HE   LYS  31          1HE       LYS  31  11.112  -7.158  -1.795
  236   2HE   LYS  31          2HE       LYS  31  11.723  -6.056  -0.561
  237   1HZ   LYS  31          1HZ       LYS  31  12.689  -7.768   0.423
  238   2HZ   LYS  31          2HZ       LYS  31  12.076  -8.829  -0.742
  239   3HZ   LYS  31          3HZ       LYS  31  11.188  -8.509   0.662
  240    H    ASP  32           H        ASP  32   7.393  -6.570  -5.219
  241    HA   ASP  32           HA       ASP  32   8.772  -4.588  -6.716
  242   1HB   ASP  32          1HB       ASP  32   7.946  -7.202  -7.173
  243   2HB   ASP  32          2HB       ASP  32   6.941  -6.255  -8.271
  244    H    VAL  33           H        VAL  33   5.368  -5.452  -6.304
  245    HA   VAL  33           HA       VAL  33   4.216  -3.602  -8.029
  246    HB   VAL  33           HB       VAL  33   3.107  -4.497  -5.362
  247   1HG1  VAL  33          1HG1      VAL  33   2.141  -2.510  -6.912
  248   2HG1  VAL  33          2HG1      VAL  33   1.137  -3.548  -5.900
  249   3HG1  VAL  33          3HG1      VAL  33   1.315  -3.900  -7.619
  250   1HG2  VAL  33          1HG2      VAL  33   1.808  -6.063  -7.010
  251   2HG2  VAL  33          2HG2      VAL  33   3.412  -6.506  -6.421
  252   3HG2  VAL  33          3HG2      VAL  33   3.224  -5.809  -8.031
  253    H    LEU  34           H        LEU  34   5.178  -3.274  -4.631
  254    HA   LEU  34           HA       LEU  34   4.252  -0.747  -4.064
  255   1HB   LEU  34          1HB       LEU  34   6.664  -2.269  -3.194
  256   2HB   LEU  34          2HB       LEU  34   6.493  -0.597  -2.716
  257    HG   LEU  34           HG       LEU  34   5.680  -2.350  -1.056
  258   1HD1  LEU  34          1HD1      LEU  34   4.965   0.203  -1.439
  259   2HD1  LEU  34          2HD1      LEU  34   4.313  -0.804  -0.145
  260   3HD1  LEU  34          3HD1      LEU  34   3.395  -0.576  -1.634
  261   1HD2  LEU  34          1HD2      LEU  34   3.637  -2.659  -3.222
  262   2HD2  LEU  34          2HD2      LEU  34   3.224  -2.944  -1.535
  263   3HD2  LEU  34          3HD2      LEU  34   4.489  -3.901  -2.304
  264    H    ASP  35           H        ASP  35   7.242  -1.640  -5.730
  265    HA   ASP  35           HA       ASP  35   8.277   0.933  -6.053
  266   1HB   ASP  35          1HB       ASP  35   9.236  -1.469  -6.664
  267   2HB   ASP  35          2HB       ASP  35   8.601  -1.060  -8.255
  268    H    ASP  36           H        ASP  36   5.770  -0.811  -7.707
  269    HA   ASP  36           HA       ASP  36   5.505   1.163  -9.818
  270   1HB   ASP  36          1HB       ASP  36   4.200  -1.450  -9.156
  271   2HB   ASP  36          2HB       ASP  36   3.389  -0.344 -10.260
  272    H    LEU  37           H        LEU  37   3.757   0.113  -6.933
  273    HA   LEU  37           HA       LEU  37   1.419   1.524  -7.092
  274   1HB   LEU  37          1HB       LEU  37   3.197   0.762  -4.823
  275   2HB   LEU  37          2HB       LEU  37   1.845   1.827  -4.503
  276    HG   LEU  37           HG       LEU  37   1.111  -0.565  -6.032
  277   1HD1  LEU  37          1HD1      LEU  37   2.431  -0.784  -3.359
  278   2HD1  LEU  37          2HD1      LEU  37   2.595  -1.818  -4.778
  279   3HD1  LEU  37          3HD1      LEU  37   1.127  -1.888  -3.803
  280   1HD2  LEU  37          1HD2      LEU  37  -0.858  -0.174  -5.067
  281   2HD2  LEU  37          2HD2      LEU  37  -0.150   1.339  -4.497
  282   3HD2  LEU  37          3HD2      LEU  37  -0.146  -0.085  -3.455
  283    H    GLY  38           H        GLY  38   4.509   2.713  -5.795
  284   1HA   GLY  38          1HA       GLY  38   5.345   4.878  -6.261
  285   2HA   GLY  38          2HA       GLY  38   3.705   5.426  -6.562
  286    H    LEU  39           H        LEU  39   5.273   3.783  -3.819
  287    HA   LEU  39           HA       LEU  39   4.278   5.952  -2.091
  288   1HB   LEU  39          1HB       LEU  39   4.942   3.299  -0.927
  289   2HB   LEU  39          2HB       LEU  39   3.706   4.453  -0.460
  290    HG   LEU  39           HG       LEU  39   2.563   3.766  -2.687
  291   1HD1  LEU  39          1HD1      LEU  39   3.182   1.133  -2.780
  292   2HD1  LEU  39          2HD1      LEU  39   4.766   1.842  -2.469
  293   3HD1  LEU  39          3HD1      LEU  39   3.832   2.350  -3.877
  294   1HD2  LEU  39          1HD2      LEU  39   1.148   2.530  -1.454
  295   2HD2  LEU  39          2HD2      LEU  39   2.140   3.115  -0.119
  296   3HD2  LEU  39          3HD2      LEU  39   2.433   1.515  -0.800
  297    H    LYS  40           H        LYS  40   6.049   7.249  -2.096
  298    HA   LYS  40           HA       LYS  40   8.674   6.741  -2.238
  299   1HB   LYS  40          1HB       LYS  40   7.197   8.793  -0.627
  300   2HB   LYS  40          2HB       LYS  40   8.952   8.734  -0.588
  301   1HG   LYS  40          1HG       LYS  40   7.851   8.675  -3.286
  302   2HG   LYS  40          2HG       LYS  40   7.447  10.134  -2.380
  303   1HD   LYS  40          1HD       LYS  40  10.238   9.310  -2.105
  304   2HD   LYS  40          2HD       LYS  40   9.775   9.723  -3.757
  305   1HE   LYS  40          1HE       LYS  40  10.403  11.781  -2.967
  306   2HE   LYS  40          2HE       LYS  40   8.679  11.803  -2.603
  307   1HZ   LYS  40          1HZ       LYS  40  10.711  12.233  -0.830
  308   2HZ   LYS  40          2HZ       LYS  40  10.207  10.658  -0.480
  309   3HZ   LYS  40          3HZ       LYS  40   9.094  11.931  -0.440
  310    H    ARG  41           H        ARG  41   7.789   7.639   1.054
  311    HA   ARG  41           HA       ARG  41   9.865   6.219   2.223
  312   1HB   ARG  41          1HB       ARG  41   7.301   7.344   3.297
  313   2HB   ARG  41          2HB       ARG  41   8.376   6.428   4.344
  314   1HG   ARG  41          1HG       ARG  41   9.853   8.406   2.871
  315   2HG   ARG  41          2HG       ARG  41   8.506   9.146   3.737
  316   1HD   ARG  41          1HD       ARG  41  10.210   9.196   5.306
  317   2HD   ARG  41          2HD       ARG  41   9.319   7.739   5.742
  318    HE   ARG  41           HE       ARG  41  11.138   6.474   5.138
  319   1HH1  ARG  41          1HH1      ARG  41  11.561   9.741   4.011
  320   2HH1  ARG  41          2HH1      ARG  41  13.217   9.509   3.560
  321   1HH2  ARG  41          1HH2      ARG  41  13.319   6.157   4.547
  322   2HH2  ARG  41          2HH2      ARG  41  14.216   7.471   3.864
  323    H    TYR  42           H        TYR  42   9.962   4.312   3.439
  324    HA   TYR  42           HA       TYR  42   8.279   2.196   2.425
  325   1HB   TYR  42          1HB       TYR  42  10.812   2.055   2.844
  326   2HB   TYR  42          2HB       TYR  42  10.395   1.891   4.547
  327    HD1  TYR  42           HD1      TYR  42   8.817  -0.027   5.198
  328    HD2  TYR  42           HD2      TYR  42  10.814   0.181   1.445
  329    HE1  TYR  42           HE1      TYR  42   8.476  -2.442   4.888
  330    HE2  TYR  42           HE2      TYR  42  10.477  -2.233   1.125
  331    HH   TYR  42           HH       TYR  42   9.891  -4.321   3.354
  332    H    CYS  43           H        CYS  43   8.460   4.172   5.248
  333    HA   CYS  43           HA       CYS  43   7.373   2.643   7.246
  334   1HB   CYS  43          1HB       CYS  43   6.427   4.706   8.163
  335   2HB   CYS  43          2HB       CYS  43   8.045   4.997   7.530
  336    H    CYS  44           H        CYS  44   5.856   3.808   4.357
  337    HA   CYS  44           HA       CYS  44   3.172   3.168   5.228
  338   1HB   CYS  44          1HB       CYS  44   3.792   3.575   2.343
  339   2HB   CYS  44          2HB       CYS  44   2.431   4.163   3.292
  340    H    ARG  45           H        ARG  45   5.365   1.962   2.692
  341    HA   ARG  45           HA       ARG  45   3.944  -0.216   1.831
  342   1HB   ARG  45          1HB       ARG  45   6.908  -0.425   2.283
  343   2HB   ARG  45          2HB       ARG  45   5.948  -1.123   0.990
  344   1HG   ARG  45          1HG       ARG  45   5.541   1.182   0.138
  345   2HG   ARG  45          2HG       ARG  45   6.690   1.769   1.344
  346   1HD   ARG  45          1HD       ARG  45   8.298   0.028   0.337
  347   2HD   ARG  45          2HD       ARG  45   7.189   0.023  -1.031
  348    HE   ARG  45           HE       ARG  45   7.729   2.661  -0.615
  349   1HH1  ARG  45          1HH1      ARG  45   9.658  -0.184  -1.170
  350   2HH1  ARG  45          2HH1      ARG  45  10.932   0.677  -1.968
  351   1HH2  ARG  45          1HH2      ARG  45   9.400   3.806  -1.663
  352   2HH2  ARG  45          2HH2      ARG  45  10.785   2.946  -2.249
  353    H    ARG  46           H        ARG  46   6.466  -0.342   4.354
  354    HA   ARG  46           HA       ARG  46   6.402  -2.869   5.211
  355   1HB   ARG  46          1HB       ARG  46   6.781  -2.007   7.536
  356   2HB   ARG  46          2HB       ARG  46   7.794  -1.264   6.304
  357   1HG   ARG  46          1HG       ARG  46   7.132   0.716   7.025
  358   2HG   ARG  46          2HG       ARG  46   5.501   0.334   6.467
  359   1HD   ARG  46          1HD       ARG  46   5.361   0.964   8.763
  360   2HD   ARG  46          2HD       ARG  46   5.085  -0.774   8.657
  361    HE   ARG  46           HE       ARG  46   7.811  -0.307   9.142
  362   1HH1  ARG  46          1HH1      ARG  46   4.717  -0.045  10.719
  363   2HH1  ARG  46          2HH1      ARG  46   5.361  -0.277  12.310
  364   1HH2  ARG  46          1HH2      ARG  46   8.672  -0.614  11.234
  365   2HH2  ARG  46          2HH2      ARG  46   7.610  -0.600  12.604
  366    H    MET  47           H        MET  47   3.838  -0.550   5.736
  367    HA   MET  47           HA       MET  47   2.313  -2.354   7.424
  368   1HB   MET  47          1HB       MET  47   2.092   0.460   6.491
  369   2HB   MET  47          2HB       MET  47   0.591  -0.379   6.829
  370   1HG   MET  47          1HG       MET  47   1.029  -0.560   9.077
  371   2HG   MET  47          2HG       MET  47   2.773  -0.439   8.853
  372   1HE   MET  47          1HE       MET  47  -0.287   1.630   7.661
  373   2HE   MET  47          2HE       MET  47   1.051   2.265   6.701
  374   3HE   MET  47          3HE       MET  47   0.267   3.286   7.907
  375    H    LEU  48           H        LEU  48   2.110  -0.842   4.253
  376    HA   LEU  48           HA       LEU  48  -0.328  -1.962   3.509
  377   1HB   LEU  48          1HB       LEU  48   1.886  -1.083   1.664
  378   2HB   LEU  48          2HB       LEU  48   0.176  -1.183   1.280
  379    HG   LEU  48           HG       LEU  48   1.054   0.596   3.504
  380   1HD1  LEU  48          1HD1      LEU  48   0.883   1.994   0.984
  381   2HD1  LEU  48          2HD1      LEU  48   2.202   0.823   0.994
  382   3HD1  LEU  48          3HD1      LEU  48   2.123   2.074   2.236
  383   1HD2  LEU  48          1HD2      LEU  48  -0.839   1.938   2.263
  384   2HD2  LEU  48          2HD2      LEU  48  -1.219   0.635   3.389
  385   3HD2  LEU  48          3HD2      LEU  48  -1.248   0.335   1.653
  386    H    ILE  49           H        ILE  49   2.894  -2.811   2.200
  387    HA   ILE  49           HA       ILE  49   2.252  -4.942   0.661
  388    HB   ILE  49           HB       ILE  49   4.484  -6.010   1.555
  389   1HG1  ILE  49          1HG1      ILE  49   5.228  -3.238   2.262
  390   2HG1  ILE  49          2HG1      ILE  49   4.248  -4.092   3.456
  391   1HG2  ILE  49          1HG2      ILE  49   5.713  -4.629   0.014
  392   2HG2  ILE  49          2HG2      ILE  49   4.477  -3.373   0.098
  393   3HG2  ILE  49          3HG2      ILE  49   4.101  -4.934  -0.632
  394   1HD1  ILE  49          1HD1      ILE  49   6.301  -4.691   4.185
  395   2HD1  ILE  49          2HD1      ILE  49   7.026  -4.585   2.581
  396   3HD1  ILE  49          3HD1      ILE  49   6.046  -5.986   3.015
  397    H    SER  50           H        SER  50   2.240  -4.897   4.147
  398    HA   SER  50           HA       SER  50   1.910  -7.772   4.336
  399   1HB   SER  50          1HB       SER  50   2.282  -5.529   6.256
  400   2HB   SER  50          2HB       SER  50   1.424  -6.954   6.842
  401    HG   SER  50           HG       SER  50   3.314  -8.124   5.854
  402    H    HIS  51           H        HIS  51   0.015  -5.257   5.967
  403    HA   HIS  51           HA       HIS  51  -2.373  -6.865   5.638
  404   1HB   HIS  51          1HB       HIS  51  -1.672  -5.703   7.795
  405   2HB   HIS  51          2HB       HIS  51  -2.172  -4.198   7.030
  406    HD2  HIS  51           HD2      HIS  51  -5.009  -4.428   6.089
  407    HE1  HIS  51           HE1      HIS  51  -5.888  -6.836   9.458
  408    HE2  HIS  51           HE2      HIS  51  -6.873  -5.427   7.593
  409    H    VAL  52           H        VAL  52  -1.595  -3.427   5.082
  410    HA   VAL  52           HA       VAL  52  -2.655  -1.837   3.843
  411    HB   VAL  52           HB       VAL  52  -1.307  -2.781   2.091
  412   1HG1  VAL  52          1HG1      VAL  52  -2.046  -4.535   0.615
  413   2HG1  VAL  52          2HG1      VAL  52  -3.554  -4.697   1.510
  414   3HG1  VAL  52          3HG1      VAL  52  -2.024  -5.119   2.276
  415   1HG2  VAL  52          1HG2      VAL  52  -2.437  -1.913   0.249
  416   2HG2  VAL  52          2HG2      VAL  52  -3.155  -1.080   1.629
  417   3HG2  VAL  52          3HG2      VAL  52  -4.012  -2.419   0.862
  418    H    GLU  53           H        GLU  53  -4.594  -1.450   4.802
  419    HA   GLU  53           HA       GLU  53  -6.835  -3.113   4.767
  420   1HB   GLU  53          1HB       GLU  53  -6.377  -1.009   6.180
  421   2HB   GLU  53          2HB       GLU  53  -7.029  -0.111   4.816
  422   1HG   GLU  53          1HG       GLU  53  -9.015  -1.822   5.087
  423   2HG   GLU  53          2HG       GLU  53  -8.396  -1.912   6.735
  424    H    THR  54           H        THR  54  -8.011  -3.780   3.114
  425    HA   THR  54           HA       THR  54  -8.248  -2.043   0.744
  426    HB   THR  54           HB       THR  54  -8.797  -4.134  -0.509
  427    HG1  THR  54           HG1      THR  54  -8.262  -6.121   0.558
  428   1HG2  THR  54          1HG2      THR  54  -6.168  -4.751   0.670
  429   2HG2  THR  54          2HG2      THR  54  -6.368  -3.105   0.068
  430   3HG2  THR  54          3HG2      THR  54  -6.622  -4.476  -1.012
  431    H    TRP  55           H        TRP  55  -9.957  -3.830   3.178
  432    HA   TRP  55           HA       TRP  55 -12.527  -3.263   1.881
  433   1HB   TRP  55          1HB       TRP  55 -12.078  -4.966   4.334
  434   2HB   TRP  55          2HB       TRP  55 -13.491  -4.935   3.284
  435    HD1  TRP  55           HD1      TRP  55 -11.510  -5.033   0.578
  436    HE1  TRP  55           HE1      TRP  55 -10.622  -7.354  -0.095
  437    HE3  TRP  55           HE3      TRP  55 -12.179  -7.482   5.019
  438    HZ2  TRP  55           HZ2      TRP  55 -10.254  -9.884   1.096
  439    HZ3  TRP  55           HZ3      TRP  55 -11.532  -9.852   5.166
  440    HH2  TRP  55           HH2      TRP  55 -10.591 -11.027   3.245
  Start of MODEL   17
    1    H    MET   1           H        MET   1  -6.803   7.466  -0.292
    2    HA   MET   1           HA       MET   1  -6.010   5.264   1.169
    3   1HB   MET   1          1HB       MET   1  -3.998   6.633   1.785
    4   2HB   MET   1          2HB       MET   1  -4.368   6.615   0.065
    5   1HG   MET   1          1HG       MET   1  -4.009   8.826   0.293
    6   2HG   MET   1          2HG       MET   1  -5.713   8.807   0.741
    7   1HE   MET   1          1HE       MET   1  -2.113   9.054   3.526
    8   2HE   MET   1          2HE       MET   1  -2.261   8.140   2.026
    9   3HE   MET   1          3HE       MET   1  -2.916   7.485   3.525
   10    H    ILE   2           H        ILE   2  -5.371   4.993   3.372
   11    HA   ILE   2           HA       ILE   2  -7.294   5.999   5.215
   12    HB   ILE   2           HB       ILE   2  -4.841   4.289   5.537
   13   1HG1  ILE   2          1HG1      ILE   2  -6.446   2.538   6.025
   14   2HG1  ILE   2          2HG1      ILE   2  -7.769   3.698   5.988
   15   1HG2  ILE   2          1HG2      ILE   2  -6.342   4.074   7.891
   16   2HG2  ILE   2          2HG2      ILE   2  -6.127   5.800   7.614
   17   3HG2  ILE   2          3HG2      ILE   2  -4.720   4.742   7.707
   18   1HD1  ILE   2          1HD1      ILE   2  -7.527   2.260   3.955
   19   2HD1  ILE   2          2HD1      ILE   2  -6.029   3.125   3.612
   20   3HD1  ILE   2          3HD1      ILE   2  -7.561   3.996   3.653
   21    HA   PRO   3           HA       PRO   3  -5.073   9.719   6.352
   22   1HB   PRO   3          1HB       PRO   3  -6.564  10.469   8.429
   23   2HB   PRO   3          2HB       PRO   3  -7.247  10.485   6.796
   24   1HG   PRO   3          1HG       PRO   3  -7.469   8.352   8.913
   25   2HG   PRO   3          2HG       PRO   3  -8.780   9.135   7.996
   26   1HD   PRO   3          1HD       PRO   3  -7.774   6.747   7.255
   27   2HD   PRO   3          2HD       PRO   3  -8.294   7.947   6.053
   28    H    VAL   4           H        VAL   4  -4.247  10.640   8.577
   29    HA   VAL   4           HA       VAL   4  -2.935  10.374  10.421
   30    HB   VAL   4           HB       VAL   4  -4.908   8.157  10.601
   31   1HG1  VAL   4          1HG1      VAL   4  -2.334   8.128  12.132
   32   2HG1  VAL   4          2HG1      VAL   4  -3.231   6.784  11.418
   33   3HG1  VAL   4          3HG1      VAL   4  -3.822   7.560  12.891
   34   1HG2  VAL   4          1HG2      VAL   4  -4.312   9.749  12.965
   35   2HG2  VAL   4          2HG2      VAL   4  -5.839   9.488  12.122
   36   3HG2  VAL   4          3HG2      VAL   4  -4.714  10.718  11.547
   37    H    ARG   5           H        ARG   5  -3.196   6.971   9.500
   38    HA   ARG   5           HA       ARG   5  -0.535   6.319   9.873
   39   1HB   ARG   5          1HB       ARG   5  -2.889   5.051   9.008
   40   2HB   ARG   5          2HB       ARG   5  -1.688   4.734   7.757
   41   1HG   ARG   5          1HG       ARG   5  -1.389   2.954   9.190
   42   2HG   ARG   5          2HG       ARG   5  -0.168   4.089   9.768
   43   1HD   ARG   5          1HD       ARG   5  -1.103   4.128  11.780
   44   2HD   ARG   5          2HD       ARG   5  -2.642   4.630  11.083
   45    HE   ARG   5           HE       ARG   5  -3.395   2.466  11.243
   46   1HH1  ARG   5          1HH1      ARG   5   0.040   2.551  11.803
   47   2HH1  ARG   5          2HH1      ARG   5   0.123   0.909  12.347
   48   1HH2  ARG   5          1HH2      ARG   5  -3.297   0.302  11.958
   49   2HH2  ARG   5          2HH2      ARG   5  -1.774  -0.370  12.435
   50    H    CYS   6           H        CYS   6   0.571   5.136   7.779
   51    HA   CYS   6           HA       CYS   6   1.029   7.328   5.869
   52   1HB   CYS   6          1HB       CYS   6   2.843   5.751   7.466
   53   2HB   CYS   6          2HB       CYS   6   3.209   5.559   5.755
   54    H    LEU   7           H        LEU   7  -0.265   6.822   4.209
   55    HA   LEU   7           HA       LEU   7   0.315   4.325   2.794
   56   1HB   LEU   7          1HB       LEU   7  -2.428   5.544   3.070
   57   2HB   LEU   7          2HB       LEU   7  -2.032   4.088   2.182
   58    HG   LEU   7           HG       LEU   7  -2.968   3.219   4.089
   59   1HD1  LEU   7          1HD1      LEU   7  -1.341   1.948   4.912
   60   2HD1  LEU   7          2HD1      LEU   7  -0.465   3.331   5.560
   61   3HD1  LEU   7          3HD1      LEU   7  -0.255   2.867   3.873
   62   1HD2  LEU   7          1HD2      LEU   7  -3.266   5.428   5.142
   63   2HD2  LEU   7          2HD2      LEU   7  -1.613   5.333   5.750
   64   3HD2  LEU   7          3HD2      LEU   7  -2.820   4.165   6.289
   65    H    SER   8           H        SER   8   1.450   6.862   2.393
   66    HA   SER   8           HA       SER   8   1.036   7.214  -0.370
   67   1HB   SER   8          1HB       SER   8  -0.436   9.053   1.471
   68   2HB   SER   8          2HB       SER   8   0.267   9.724  -0.001
   69    HG   SER   8           HG       SER   8  -1.988   8.817  -0.045
   70    H    CYS   9           H        CYS   9   1.728   9.476   2.301
   71    HA   CYS   9           HA       CYS   9   3.612  10.619   2.874
   72   1HB   CYS   9          1HB       CYS   9   4.586   8.154   1.749
   73   2HB   CYS   9          2HB       CYS   9   5.667   9.473   1.311
   74    H    GLY  10           H        GLY  10   2.001  11.138   0.366
   75   1HA   GLY  10          1HA       GLY  10   2.523  13.414  -0.609
   76   2HA   GLY  10          2HA       GLY  10   4.036  12.680  -1.117
   77    H    LYS  11           H        LYS  11   2.400  10.121  -1.598
   78    HA   LYS  11           HA       LYS  11   1.121  10.969  -4.106
   79   1HB   LYS  11          1HB       LYS  11   3.492   9.383  -3.791
   80   2HB   LYS  11          2HB       LYS  11   2.230   8.404  -4.531
   81   1HG   LYS  11          1HG       LYS  11   3.696   9.588  -6.149
   82   2HG   LYS  11          2HG       LYS  11   1.983   9.980  -6.318
   83   1HD   LYS  11          1HD       LYS  11   2.255  12.059  -5.234
   84   2HD   LYS  11          2HD       LYS  11   3.884  11.644  -4.706
   85   1HE   LYS  11          1HE       LYS  11   4.067  11.369  -7.419
   86   2HE   LYS  11          2HE       LYS  11   2.942  12.717  -7.260
   87   1HZ   LYS  11          1HZ       LYS  11   5.275  13.426  -7.372
   88   2HZ   LYS  11          2HZ       LYS  11   5.601  12.575  -5.946
   89   3HZ   LYS  11          3HZ       LYS  11   4.536  13.889  -5.922
   90    HA   PRO  12           HA       PRO  12  -2.268   8.470  -2.820
   91   1HB   PRO  12          1HB       PRO  12  -3.391   7.902  -5.222
   92   2HB   PRO  12          2HB       PRO  12  -3.484   9.501  -4.474
   93   1HG   PRO  12          1HG       PRO  12  -1.637   8.514  -6.618
   94   2HG   PRO  12          2HG       PRO  12  -2.510  10.055  -6.516
   95   1HD   PRO  12          1HD       PRO  12   0.111   9.822  -5.874
   96   2HD   PRO  12          2HD       PRO  12  -0.968  10.976  -5.067
   97    H    VAL  13           H        VAL  13  -2.521   6.383  -2.286
   98    HA   VAL  13           HA       VAL  13  -1.050   4.376  -3.861
   99    HB   VAL  13           HB       VAL  13  -0.717   3.078  -1.900
  100   1HG1  VAL  13          1HG1      VAL  13   0.331   4.800  -0.316
  101   2HG1  VAL  13          2HG1      VAL  13  -0.203   6.005  -1.489
  102   3HG1  VAL  13          3HG1      VAL  13   0.925   4.739  -1.977
  103   1HG2  VAL  13          1HG2      VAL  13  -2.537   5.001  -0.455
  104   2HG2  VAL  13          2HG2      VAL  13  -1.622   3.696   0.301
  105   3HG2  VAL  13          3HG2      VAL  13  -2.897   3.325  -0.859
  106    H    SER  14           H        SER  14  -4.080   5.119  -2.252
  107    HA   SER  14           HA       SER  14  -5.438   2.757  -2.330
  108   1HB   SER  14          1HB       SER  14  -6.768   5.310  -3.221
  109   2HB   SER  14          2HB       SER  14  -7.441   3.998  -2.248
  110    HG   SER  14           HG       SER  14  -5.696   4.656  -0.694
  111    H    ALA  15           H        ALA  15  -5.244   5.091  -5.020
  112    HA   ALA  15           HA       ALA  15  -6.756   3.564  -6.837
  113   1HB   ALA  15          1HB       ALA  15  -5.568   4.983  -8.574
  114   2HB   ALA  15          2HB       ALA  15  -4.718   5.738  -7.227
  115   3HB   ALA  15          3HB       ALA  15  -6.476   5.848  -7.335
  116    H    TYR  16           H        TYR  16  -3.432   3.403  -5.850
  117    HA   TYR  16           HA       TYR  16  -2.642   1.729  -8.070
  118   1HB   TYR  16          1HB       TYR  16  -1.288   2.953  -5.706
  119   2HB   TYR  16          2HB       TYR  16  -0.509   1.623  -6.550
  120    HD1  TYR  16           HD1      TYR  16  -1.494   5.127  -6.737
  121    HD2  TYR  16           HD2      TYR  16   0.241   1.881  -8.868
  122    HE1  TYR  16           HE1      TYR  16  -0.638   6.701  -8.422
  123    HE2  TYR  16           HE2      TYR  16   1.103   3.444 -10.560
  124    HH   TYR  16           HH       TYR  16   0.078   6.233 -11.180
  125    H    PHE  17           H        PHE  17  -3.883   1.320  -4.886
  126    HA   PHE  17           HA       PHE  17  -2.862  -1.075  -4.020
  127   1HB   PHE  17          1HB       PHE  17  -5.564   0.180  -3.808
  128   2HB   PHE  17          2HB       PHE  17  -5.387  -1.493  -3.301
  129    HD1  PHE  17           HD1      PHE  17  -2.489   0.631  -2.869
  130    HD2  PHE  17           HD2      PHE  17  -6.097  -0.718  -1.055
  131    HE1  PHE  17           HE1      PHE  17  -1.667   1.385  -0.674
  132    HE2  PHE  17           HE2      PHE  17  -5.278   0.034   1.140
  133    HZ   PHE  17           HZ       PHE  17  -3.062   1.086   1.330
  134    H    ASN  18           H        ASN  18  -4.948  -0.467  -6.726
  135    HA   ASN  18           HA       ASN  18  -5.952  -3.017  -7.233
  136   1HB   ASN  18          1HB       ASN  18  -6.062  -0.576  -8.501
  137   2HB   ASN  18          2HB       ASN  18  -5.116  -1.540  -9.631
  138   1HD2  ASN  18          1HD2      ASN  18  -7.437  -0.672 -10.529
  139   2HD2  ASN  18          2HD2      ASN  18  -8.616  -1.941 -10.591
  140    H    GLU  19           H        GLU  19  -2.823  -1.563  -8.011
  141    HA   GLU  19           HA       GLU  19  -1.813  -3.642  -9.606
  142   1HB   GLU  19          1HB       GLU  19  -0.571  -1.493  -7.907
  143   2HB   GLU  19          2HB       GLU  19   0.420  -2.705  -8.674
  144   1HG   GLU  19          1HG       GLU  19   0.372  -0.740 -10.033
  145   2HG   GLU  19          2HG       GLU  19  -0.455  -2.060 -10.859
  146    H    TYR  20           H        TYR  20  -1.360  -2.888  -6.171
  147    HA   TYR  20           HA       TYR  20   0.085  -5.165  -5.460
  148   1HB   TYR  20          1HB       TYR  20  -0.129  -3.310  -3.932
  149   2HB   TYR  20          2HB       TYR  20  -1.873  -3.508  -3.857
  150    HD1  TYR  20           HD1      TYR  20  -2.856  -5.395  -2.614
  151    HD2  TYR  20           HD2      TYR  20   1.338  -4.683  -2.627
  152    HE1  TYR  20           HE1      TYR  20  -2.606  -6.873  -0.666
  153    HE2  TYR  20           HE2      TYR  20   1.600  -6.162  -0.679
  154    HH   TYR  20           HH       TYR  20  -0.351  -8.349   0.249
  155    H    GLN  21           H        GLN  21  -3.416  -4.601  -5.453
  156    HA   GLN  21           HA       GLN  21  -4.151  -7.155  -4.515
  157   1HB   GLN  21          1HB       GLN  21  -5.734  -5.331  -4.456
  158   2HB   GLN  21          2HB       GLN  21  -5.670  -5.165  -6.206
  159   1HG   GLN  21          1HG       GLN  21  -7.019  -6.955  -6.569
  160   2HG   GLN  21          2HG       GLN  21  -6.483  -7.794  -5.113
  161   1HE2  GLN  21          1HE2      GLN  21  -7.228  -6.885  -3.047
  162   2HE2  GLN  21          2HE2      GLN  21  -8.815  -6.207  -2.976
  163    H    ARG  22           H        ARG  22  -4.096  -5.848  -7.828
  164    HA   ARG  22           HA       ARG  22  -4.838  -8.163  -9.172
  165   1HB   ARG  22          1HB       ARG  22  -4.738  -6.035 -10.312
  166   2HB   ARG  22          2HB       ARG  22  -3.004  -5.921 -10.038
  167   1HG   ARG  22          1HG       ARG  22  -2.687  -7.912 -11.468
  168   2HG   ARG  22          2HG       ARG  22  -4.419  -7.906 -11.805
  169   1HD   ARG  22          1HD       ARG  22  -3.733  -5.328 -12.363
  170   2HD   ARG  22          2HD       ARG  22  -2.286  -6.200 -12.864
  171    HE   ARG  22           HE       ARG  22  -4.725  -6.101 -14.253
  172   1HH1  ARG  22          1HH1      ARG  22  -2.256  -8.371 -13.317
  173   2HH1  ARG  22          2HH1      ARG  22  -2.520  -9.416 -14.671
  174   1HH2  ARG  22          1HH2      ARG  22  -5.083  -7.471 -16.040
  175   2HH2  ARG  22          2HH2      ARG  22  -4.128  -8.905 -16.220
  176    H    ARG  23           H        ARG  23  -1.563  -6.989  -8.423
  177    HA   ARG  23           HA       ARG  23  -0.245  -9.247  -9.506
  178   1HB   ARG  23          1HB       ARG  23   0.504  -6.862  -7.963
  179   2HB   ARG  23          2HB       ARG  23   1.539  -8.260  -7.692
  180   1HG   ARG  23          1HG       ARG  23   2.308  -6.714  -9.494
  181   2HG   ARG  23          2HG       ARG  23   2.102  -8.390  -9.999
  182   1HD   ARG  23          1HD       ARG  23   0.565  -7.831 -11.512
  183   2HD   ARG  23          2HD       ARG  23  -0.333  -6.870 -10.338
  184    HE   ARG  23           HE       ARG  23   0.546  -5.020 -11.321
  185   1HH1  ARG  23          1HH1      ARG  23   2.720  -7.682 -11.879
  186   2HH1  ARG  23          2HH1      ARG  23   3.820  -6.753 -12.842
  187   1HH2  ARG  23          1HH2      ARG  23   1.988  -3.785 -12.587
  188   2HH2  ARG  23          2HH2      ARG  23   3.403  -4.537 -13.244
  189    H    VAL  24           H        VAL  24  -0.519  -8.290  -6.064
  190    HA   VAL  24           HA       VAL  24   0.363 -10.607  -4.897
  191    HB   VAL  24           HB       VAL  24  -1.912  -8.875  -3.911
  192   1HG1  VAL  24          1HG1      VAL  24  -0.825 -11.306  -2.871
  193   2HG1  VAL  24          2HG1      VAL  24  -2.113 -10.295  -2.216
  194   3HG1  VAL  24          3HG1      VAL  24  -0.434  -9.978  -1.777
  195   1HG2  VAL  24          1HG2      VAL  24   0.581  -8.514  -2.543
  196   2HG2  VAL  24          2HG2      VAL  24  -0.402  -7.329  -3.396
  197   3HG2  VAL  24          3HG2      VAL  24   0.805  -8.267  -4.275
  198    H    ALA  25           H        ALA  25  -2.755  -9.986  -6.365
  199    HA   ALA  25           HA       ALA  25  -4.243 -12.115  -5.381
  200   1HB   ALA  25          1HB       ALA  25  -4.327 -10.460  -7.835
  201   2HB   ALA  25          2HB       ALA  25  -5.568 -10.748  -6.614
  202   3HB   ALA  25          3HB       ALA  25  -5.243 -11.968  -7.844
  203    H    ASP  26           H        ASP  26  -2.460 -12.035  -8.475
  204    HA   ASP  26           HA       ASP  26  -2.704 -14.821  -8.928
  205   1HB   ASP  26          1HB       ASP  26  -2.260 -13.093 -10.697
  206   2HB   ASP  26          2HB       ASP  26  -0.618 -12.959 -10.076
  207    H    GLY  27           H        GLY  27  -0.291 -12.825  -7.345
  208   1HA   GLY  27          1HA       GLY  27   0.842 -14.037  -5.479
  209   2HA   GLY  27          2HA       GLY  27   1.191 -15.288  -6.660
  210    H    GLU  28           H        GLU  28   1.401 -11.905  -7.522
  211    HA   GLU  28           HA       GLU  28   4.201 -12.247  -8.118
  212   1HB   GLU  28          1HB       GLU  28   2.319  -9.915  -8.525
  213   2HB   GLU  28          2HB       GLU  28   4.016  -9.896  -8.979
  214   1HG   GLU  28          1HG       GLU  28   3.634 -10.982 -10.859
  215   2HG   GLU  28          2HG       GLU  28   2.706 -12.225 -10.030
  216    H    ASP  29           H        ASP  29   5.890 -10.983  -7.289
  217    HA   ASP  29           HA       ASP  29   5.900 -10.604  -4.535
  218   1HB   ASP  29          1HB       ASP  29   7.965  -9.104  -5.091
  219   2HB   ASP  29          2HB       ASP  29   8.026 -10.830  -5.435
  220    HA   PRO  30           HA       PRO  30   3.363  -6.860  -4.475
  221   1HB   PRO  30          1HB       PRO  30   4.129  -6.934  -1.617
  222   2HB   PRO  30          2HB       PRO  30   2.526  -6.841  -2.352
  223   1HG   PRO  30          1HG       PRO  30   3.386  -9.104  -1.219
  224   2HG   PRO  30          2HG       PRO  30   2.394  -9.127  -2.690
  225   1HD   PRO  30          1HD       PRO  30   5.338  -9.538  -2.385
  226   2HD   PRO  30          2HD       PRO  30   4.187 -10.361  -3.458
  227    H    LYS  31           H        LYS  31   6.431  -7.201  -2.706
  228    HA   LYS  31           HA       LYS  31   7.075  -4.554  -2.307
  229   1HB   LYS  31          1HB       LYS  31   8.469  -7.072  -2.348
  230   2HB   LYS  31          2HB       LYS  31   9.466  -5.826  -3.080
  231   1HG   LYS  31          1HG       LYS  31   9.671  -4.645  -1.134
  232   2HG   LYS  31          2HG       LYS  31   8.128  -5.220  -0.496
  233   1HD   LYS  31          1HD       LYS  31   9.758  -6.289   0.814
  234   2HD   LYS  31          2HD       LYS  31   9.236  -7.513  -0.346
  235   1HE   LYS  31          1HE       LYS  31  11.527  -7.731  -0.444
  236   2HE   LYS  31          2HE       LYS  31  11.218  -6.615  -1.773
  237   1HZ   LYS  31          1HZ       LYS  31  12.006  -5.771   0.961
  238   2HZ   LYS  31          2HZ       LYS  31  11.862  -4.782  -0.404
  239   3HZ   LYS  31          3HZ       LYS  31  13.086  -5.947  -0.328
  240    H    ASP  32           H        ASP  32   7.315  -6.483  -5.232
  241    HA   ASP  32           HA       ASP  32   8.693  -4.531  -6.791
  242   1HB   ASP  32          1HB       ASP  32   7.884  -7.171  -7.164
  243   2HB   ASP  32          2HB       ASP  32   6.907  -6.259  -8.312
  244    H    VAL  33           H        VAL  33   5.306  -5.390  -6.258
  245    HA   VAL  33           HA       VAL  33   4.119  -3.585  -8.036
  246    HB   VAL  33           HB       VAL  33   3.024  -4.371  -5.333
  247   1HG1  VAL  33          1HG1      VAL  33   1.119  -4.073  -7.491
  248   2HG1  VAL  33          2HG1      VAL  33   2.044  -2.592  -7.247
  249   3HG1  VAL  33          3HG1      VAL  33   1.148  -3.302  -5.905
  250   1HG2  VAL  33          1HG2      VAL  33   3.504  -6.424  -6.363
  251   2HG2  VAL  33          2HG2      VAL  33   3.037  -5.834  -7.954
  252   3HG2  VAL  33          3HG2      VAL  33   1.804  -6.133  -6.731
  253    H    LEU  34           H        LEU  34   5.154  -3.214  -4.664
  254    HA   LEU  34           HA       LEU  34   4.262  -0.673  -4.108
  255   1HB   LEU  34          1HB       LEU  34   6.716  -2.176  -3.303
  256   2HB   LEU  34          2HB       LEU  34   6.538  -0.503  -2.828
  257    HG   LEU  34           HG       LEU  34   5.812  -2.256  -1.137
  258   1HD1  LEU  34          1HD1      LEU  34   5.044   0.277  -1.497
  259   2HD1  LEU  34          2HD1      LEU  34   4.439  -0.736  -0.187
  260   3HD1  LEU  34          3HD1      LEU  34   3.480  -0.521  -1.652
  261   1HD2  LEU  34          1HD2      LEU  34   3.363  -2.914  -1.512
  262   2HD2  LEU  34          2HD2      LEU  34   4.610  -3.834  -2.353
  263   3HD2  LEU  34          3HD2      LEU  34   3.685  -2.604  -3.215
  264    H    ASP  35           H        ASP  35   7.149  -1.631  -5.900
  265    HA   ASP  35           HA       ASP  35   8.218   0.925  -6.300
  266   1HB   ASP  35          1HB       ASP  35   9.210  -1.423  -6.850
  267   2HB   ASP  35          2HB       ASP  35   8.399  -1.218  -8.400
  268    H    ASP  36           H        ASP  36   5.655  -0.833  -7.884
  269    HA   ASP  36           HA       ASP  36   5.354   1.146  -9.987
  270   1HB   ASP  36          1HB       ASP  36   4.403  -1.561  -9.467
  271   2HB   ASP  36          2HB       ASP  36   3.119  -0.508 -10.055
  272    H    LEU  37           H        LEU  37   3.671   0.108  -7.062
  273    HA   LEU  37           HA       LEU  37   1.323   1.507  -7.188
  274   1HB   LEU  37          1HB       LEU  37   3.155   0.800  -4.932
  275   2HB   LEU  37          2HB       LEU  37   1.780   1.834  -4.612
  276    HG   LEU  37           HG       LEU  37   1.091  -0.609  -6.082
  277   1HD1  LEU  37          1HD1      LEU  37   2.620  -1.790  -4.809
  278   2HD1  LEU  37          2HD1      LEU  37   1.165  -1.871  -3.816
  279   3HD1  LEU  37          3HD1      LEU  37   2.443  -0.723  -3.416
  280   1HD2  LEU  37          1HD2      LEU  37  -0.873  -0.314  -5.042
  281   2HD2  LEU  37          2HD2      LEU  37  -0.242   1.288  -4.658
  282   3HD2  LEU  37          3HD2      LEU  37  -0.116  -0.018  -3.478
  283    H    GLY  38           H        GLY  38   4.352   2.728  -5.740
  284   1HA   GLY  38          1HA       GLY  38   5.154   4.917  -6.436
  285   2HA   GLY  38          2HA       GLY  38   3.481   5.445  -6.494
  286    H    LEU  39           H        LEU  39   5.228   3.637  -3.984
  287    HA   LEU  39           HA       LEU  39   4.703   5.879  -2.143
  288   1HB   LEU  39          1HB       LEU  39   4.979   3.193  -0.962
  289   2HB   LEU  39          2HB       LEU  39   3.892   4.503  -0.538
  290    HG   LEU  39           HG       LEU  39   2.587   3.880  -2.650
  291   1HD1  LEU  39          1HD1      LEU  39   3.024   1.212  -2.843
  292   2HD1  LEU  39          2HD1      LEU  39   4.665   1.813  -2.617
  293   3HD1  LEU  39          3HD1      LEU  39   3.682   2.417  -3.948
  294   1HD2  LEU  39          1HD2      LEU  39   2.628   1.763  -0.524
  295   2HD2  LEU  39          2HD2      LEU  39   1.257   2.344  -1.468
  296   3HD2  LEU  39          3HD2      LEU  39   1.987   3.381  -0.242
  297    H    LYS  40           H        LYS  40   6.656   6.845  -2.089
  298    HA   LYS  40           HA       LYS  40   9.137   5.649  -2.359
  299   1HB   LYS  40          1HB       LYS  40   8.341   8.189  -0.944
  300   2HB   LYS  40          2HB       LYS  40  10.014   7.720  -1.207
  301   1HG   LYS  40          1HG       LYS  40   8.316   7.692  -3.604
  302   2HG   LYS  40          2HG       LYS  40   8.586   9.280  -2.881
  303   1HD   LYS  40          1HD       LYS  40  10.426   9.215  -4.206
  304   2HD   LYS  40          2HD       LYS  40  11.092   8.359  -2.813
  305   1HE   LYS  40          1HE       LYS  40   9.731   6.482  -4.466
  306   2HE   LYS  40          2HE       LYS  40  10.812   7.439  -5.478
  307   1HZ   LYS  40          1HZ       LYS  40  11.503   5.771  -3.136
  308   2HZ   LYS  40          2HZ       LYS  40  12.561   6.946  -3.738
  309   3HZ   LYS  40          3HZ       LYS  40  12.088   5.652  -4.720
  310    H    ARG  41           H        ARG  41   8.475   7.214   0.734
  311    HA   ARG  41           HA       ARG  41  10.215   5.763   2.246
  312   1HB   ARG  41          1HB       ARG  41   7.609   7.070   2.989
  313   2HB   ARG  41          2HB       ARG  41   8.624   6.294   4.197
  314   1HG   ARG  41          1HG       ARG  41   9.799   8.341   2.371
  315   2HG   ARG  41          2HG       ARG  41   8.838   8.844   3.764
  316   1HD   ARG  41          1HD       ARG  41  10.308   7.632   5.256
  317   2HD   ARG  41          2HD       ARG  41  11.231   7.014   3.889
  318    HE   ARG  41           HE       ARG  41  11.404   9.644   5.062
  319   1HH1  ARG  41          1HH1      ARG  41  12.055   7.679   2.259
  320   2HH1  ARG  41          2HH1      ARG  41  13.303   8.719   1.660
  321   1HH2  ARG  41          1HH2      ARG  41  13.045  11.019   4.281
  322   2HH2  ARG  41          2HH2      ARG  41  13.866  10.618   2.810
  323    H    TYR  42           H        TYR  42  10.232   3.890   3.398
  324    HA   TYR  42           HA       TYR  42   8.423   1.829   2.545
  325   1HB   TYR  42          1HB       TYR  42  10.995   1.726   3.188
  326   2HB   TYR  42          2HB       TYR  42  10.346   1.406   4.792
  327    HD1  TYR  42           HD1      TYR  42  11.341  -0.049   1.744
  328    HD2  TYR  42           HD2      TYR  42   8.533  -0.491   4.911
  329    HE1  TYR  42           HE1      TYR  42  11.048  -2.417   1.146
  330    HE2  TYR  42           HE2      TYR  42   8.233  -2.859   4.321
  331    HH   TYR  42           HH       TYR  42   9.267  -4.180   1.428
  332    H    CYS  43           H        CYS  43   8.603   3.998   5.214
  333    HA   CYS  43           HA       CYS  43   7.423   2.652   7.293
  334   1HB   CYS  43          1HB       CYS  43   6.472   4.835   7.988
  335   2HB   CYS  43          2HB       CYS  43   8.163   4.953   7.515
  336    H    CYS  44           H        CYS  44   6.002   3.645   4.295
  337    HA   CYS  44           HA       CYS  44   3.278   3.146   5.179
  338   1HB   CYS  44          1HB       CYS  44   4.053   3.517   2.303
  339   2HB   CYS  44          2HB       CYS  44   2.584   4.024   3.133
  340    H    ARG  45           H        ARG  45   5.466   1.808   2.696
  341    HA   ARG  45           HA       ARG  45   3.955  -0.308   1.839
  342   1HB   ARG  45          1HB       ARG  45   6.913  -0.589   2.319
  343   2HB   ARG  45          2HB       ARG  45   5.943  -1.318   1.047
  344   1HG   ARG  45          1HG       ARG  45   5.531   1.042   0.214
  345   2HG   ARG  45          2HG       ARG  45   6.823   1.537   1.311
  346   1HD   ARG  45          1HD       ARG  45   8.355  -0.018   0.203
  347   2HD   ARG  45          2HD       ARG  45   7.065  -0.507  -0.894
  348    HE   ARG  45           HE       ARG  45   7.462   2.298  -0.994
  349   1HH1  ARG  45          1HH1      ARG  45   8.849  -0.724  -2.029
  350   2HH1  ARG  45          2HH1      ARG  45   9.622  -0.042  -3.421
  351   1HH2  ARG  45          1HH2      ARG  45   8.476   3.207  -2.825
  352   2HH2  ARG  45          2HH2      ARG  45   9.410   2.192  -3.873
  353    H    ARG  46           H        ARG  46   6.401  -0.502   4.442
  354    HA   ARG  46           HA       ARG  46   6.118  -3.070   5.249
  355   1HB   ARG  46          1HB       ARG  46   6.695  -2.335   7.533
  356   2HB   ARG  46          2HB       ARG  46   7.689  -1.556   6.310
  357   1HG   ARG  46          1HG       ARG  46   7.184   0.369   7.289
  358   2HG   ARG  46          2HG       ARG  46   5.554   0.175   6.641
  359   1HD   ARG  46          1HD       ARG  46   4.713  -0.632   8.636
  360   2HD   ARG  46          2HD       ARG  46   6.296  -1.157   9.208
  361    HE   ARG  46           HE       ARG  46   6.425   1.592   9.018
  362   1HH1  ARG  46          1HH1      ARG  46   4.529  -0.753  10.759
  363   2HH1  ARG  46          2HH1      ARG  46   4.263   0.281  12.123
  364   1HH2  ARG  46          1HH2      ARG  46   6.082   2.965  10.808
  365   2HH2  ARG  46          2HH2      ARG  46   5.146   2.396  12.151
  366    H    MET  47           H        MET  47   3.847  -0.474   5.806
  367    HA   MET  47           HA       MET  47   2.183  -2.091   7.546
  368   1HB   MET  47          1HB       MET  47   2.604   0.586   7.388
  369   2HB   MET  47          2HB       MET  47   1.123   0.442   6.452
  370   1HG   MET  47          1HG       MET  47  -0.121  -0.187   8.251
  371   2HG   MET  47          2HG       MET  47   1.250  -0.919   9.085
  372   1HE   MET  47          1HE       MET  47   0.067   2.796   7.855
  373   2HE   MET  47          2HE       MET  47   1.729   2.402   7.409
  374   3HE   MET  47          3HE       MET  47   1.411   3.623   8.641
  375    H    LEU  48           H        LEU  48   2.330  -1.093   4.214
  376    HA   LEU  48           HA       LEU  48  -0.353  -2.003   3.635
  377   1HB   LEU  48          1HB       LEU  48   1.760  -1.168   1.657
  378   2HB   LEU  48          2HB       LEU  48   0.025  -1.223   1.409
  379    HG   LEU  48           HG       LEU  48   1.029   0.566   3.552
  380   1HD1  LEU  48          1HD1      LEU  48   0.981   1.888   0.972
  381   2HD1  LEU  48          2HD1      LEU  48   2.261   0.680   1.088
  382   3HD1  LEU  48          3HD1      LEU  48   2.169   1.987   2.268
  383   1HD2  LEU  48          1HD2      LEU  48  -1.256   0.391   1.668
  384   2HD2  LEU  48          2HD2      LEU  48  -0.756   1.990   2.217
  385   3HD2  LEU  48          3HD2      LEU  48  -1.233   0.763   3.391
  386    H    ILE  49           H        ILE  49   2.822  -2.796   2.187
  387    HA   ILE  49           HA       ILE  49   2.226  -4.928   0.683
  388    HB   ILE  49           HB       ILE  49   4.456  -5.982   1.456
  389   1HG1  ILE  49          1HG1      ILE  49   5.272  -3.352   2.466
  390   2HG1  ILE  49          2HG1      ILE  49   4.172  -4.215   3.539
  391   1HG2  ILE  49          1HG2      ILE  49   4.058  -4.629  -0.586
  392   2HG2  ILE  49          2HG2      ILE  49   5.683  -4.453   0.077
  393   3HG2  ILE  49          3HG2      ILE  49   4.483  -3.186   0.336
  394   1HD1  ILE  49          1HD1      ILE  49   6.890  -5.040   2.593
  395   2HD1  ILE  49          2HD1      ILE  49   5.752  -6.192   3.291
  396   3HD1  ILE  49          3HD1      ILE  49   6.311  -4.818   4.244
  397    H    SER  50           H        SER  50   2.262  -4.961   4.171
  398    HA   SER  50           HA       SER  50   1.963  -7.833   4.308
  399   1HB   SER  50          1HB       SER  50   2.655  -5.723   6.134
  400   2HB   SER  50          2HB       SER  50   1.331  -6.672   6.810
  401    HG   SER  50           HG       SER  50   2.576  -8.499   6.666
  402    H    HIS  51           H        HIS  51  -0.005  -5.377   5.954
  403    HA   HIS  51           HA       HIS  51  -2.344  -7.048   5.601
  404   1HB   HIS  51          1HB       HIS  51  -1.534  -5.594   7.694
  405   2HB   HIS  51          2HB       HIS  51  -2.547  -4.386   6.909
  406    HD2  HIS  51           HD2      HIS  51  -4.957  -6.440   5.976
  407    HE1  HIS  51           HE1      HIS  51  -5.224  -7.157  10.139
  408    HE2  HIS  51           HE2      HIS  51  -6.419  -7.363   7.911
  409    H    VAL  52           H        VAL  52  -1.876  -3.534   5.222
  410    HA   VAL  52           HA       VAL  52  -3.014  -2.009   3.966
  411    HB   VAL  52           HB       VAL  52  -1.392  -2.931   2.333
  412   1HG1  VAL  52          1HG1      VAL  52  -2.305  -4.424   0.554
  413   2HG1  VAL  52          2HG1      VAL  52  -3.714  -4.685   1.582
  414   3HG1  VAL  52          3HG1      VAL  52  -2.116  -5.186   2.135
  415   1HG2  VAL  52          1HG2      VAL  52  -3.899  -2.289   0.850
  416   2HG2  VAL  52          2HG2      VAL  52  -2.250  -1.739   0.558
  417   3HG2  VAL  52          3HG2      VAL  52  -3.167  -1.090   1.918
  418    H    GLU  53           H        GLU  53  -4.711  -3.852   5.376
  419    HA   GLU  53           HA       GLU  53  -6.946  -4.243   5.572
  420   1HB   GLU  53          1HB       GLU  53  -6.876  -2.029   4.022
  421   2HB   GLU  53          2HB       GLU  53  -7.658  -3.149   2.916
  422   1HG   GLU  53          1HG       GLU  53  -9.170  -3.654   4.996
  423   2HG   GLU  53          2HG       GLU  53  -8.615  -2.062   5.510
  424    H    THR  54           H        THR  54  -6.439  -4.455   2.048
  425    HA   THR  54           HA       THR  54  -6.890  -6.120   0.558
  426    HB   THR  54           HB       THR  54  -6.342  -8.509   1.590
  427    HG1  THR  54           HG1      THR  54  -6.091  -7.991   3.718
  428   1HG2  THR  54          1HG2      THR  54  -3.853  -7.877   1.268
  429   2HG2  THR  54          2HG2      THR  54  -4.480  -6.296   0.805
  430   3HG2  THR  54          3HG2      THR  54  -4.950  -7.731  -0.105
  431    H    TRP  55           H        TRP  55  -9.084  -6.014   0.276
  432    HA   TRP  55           HA       TRP  55 -10.619  -8.209   1.299
  433   1HB   TRP  55          1HB       TRP  55 -10.638  -5.996   2.912
  434   2HB   TRP  55          2HB       TRP  55 -12.041  -5.703   1.888
  435    HD1  TRP  55           HD1      TRP  55 -13.940  -7.735   1.890
  436    HE1  TRP  55           HE1      TRP  55 -14.673  -9.253   3.834
  437    HE3  TRP  55           HE3      TRP  55  -9.905  -7.121   4.970
  438    HZ2  TRP  55           HZ2      TRP  55 -13.676 -10.080   6.341
  439    HZ3  TRP  55           HZ3      TRP  55  -9.872  -8.311   7.123
  440    HH2  TRP  55           HH2      TRP  55 -11.720  -9.760   7.793
  Start of MODEL   18
    1    H    MET   1           H        MET   1  -7.425   3.928  -0.741
    2    HA   MET   1           HA       MET   1  -5.740   2.691   1.069
    3   1HB   MET   1          1HB       MET   1  -4.569   4.763   1.237
    4   2HB   MET   1          2HB       MET   1  -5.178   4.640  -0.404
    5   1HG   MET   1          1HG       MET   1  -6.603   6.379  -0.163
    6   2HG   MET   1          2HG       MET   1  -6.888   6.061   1.545
    7   1HE   MET   1          1HE       MET   1  -3.237   6.890   2.749
    8   2HE   MET   1          2HE       MET   1  -4.593   5.770   2.877
    9   3HE   MET   1          3HE       MET   1  -4.713   7.383   3.578
   10    H    ILE   2           H        ILE   2  -5.305   2.974   3.258
   11    HA   ILE   2           HA       ILE   2  -7.637   3.327   4.903
   12    HB   ILE   2           HB       ILE   2  -4.763   2.714   5.583
   13   1HG1  ILE   2          1HG1      ILE   2  -5.732   0.463   6.120
   14   2HG1  ILE   2          2HG1      ILE   2  -7.258   1.019   5.437
   15   1HG2  ILE   2          1HG2      ILE   2  -7.061   2.444   7.493
   16   2HG2  ILE   2          2HG2      ILE   2  -6.063   3.897   7.423
   17   3HG2  ILE   2          3HG2      ILE   2  -5.332   2.346   7.827
   18   1HD1  ILE   2          1HD1      ILE   2  -4.771   1.182   3.807
   19   2HD1  ILE   2          2HD1      ILE   2  -6.450   1.020   3.291
   20   3HD1  ILE   2          3HD1      ILE   2  -5.607  -0.361   3.991
   21    HA   PRO   3           HA       PRO   3  -6.855   7.628   5.878
   22   1HB   PRO   3          1HB       PRO   3  -8.439   7.930   7.983
   23   2HB   PRO   3          2HB       PRO   3  -9.160   7.536   6.411
   24   1HG   PRO   3          1HG       PRO   3  -8.393   5.665   8.651
   25   2HG   PRO   3          2HG       PRO   3  -9.983   5.827   7.854
   26   1HD   PRO   3          1HD       PRO   3  -8.229   3.936   7.081
   27   2HD   PRO   3          2HD       PRO   3  -9.241   4.784   5.895
   28    H    VAL   4           H        VAL   4  -5.720   8.854   7.544
   29    HA   VAL   4           HA       VAL   4  -4.170   9.098   9.198
   30    HB   VAL   4           HB       VAL   4  -5.973   6.932  10.237
   31   1HG1  VAL   4          1HG1      VAL   4  -3.470   7.852  11.662
   32   2HG1  VAL   4          2HG1      VAL   4  -3.827   6.218  11.102
   33   3HG1  VAL   4          3HG1      VAL   4  -4.782   6.933  12.401
   34   1HG2  VAL   4          1HG2      VAL   4  -6.021   9.678  10.281
   35   2HG2  VAL   4          2HG2      VAL   4  -5.436   9.266  11.893
   36   3HG2  VAL   4          3HG2      VAL   4  -6.967   8.607  11.315
   37    H    ARG   5           H        ARG   5  -2.209   8.082  10.095
   38    HA   ARG   5           HA       ARG   5  -0.409   6.649  10.077
   39   1HB   ARG   5          1HB       ARG   5  -2.481   4.924   9.371
   40   2HB   ARG   5          2HB       ARG   5  -1.299   4.722   8.086
   41   1HG   ARG   5          1HG       ARG   5  -0.799   3.102   9.726
   42   2HG   ARG   5          2HG       ARG   5   0.427   4.362   9.882
   43   1HD   ARG   5          1HD       ARG   5  -1.018   5.363  11.697
   44   2HD   ARG   5          2HD       ARG   5  -1.968   3.879  11.639
   45    HE   ARG   5           HE       ARG   5   0.652   4.222  12.782
   46   1HH1  ARG   5          1HH1      ARG   5  -1.628   1.952  11.450
   47   2HH1  ARG   5          2HH1      ARG   5  -0.944   0.587  12.267
   48   1HH2  ARG   5          1HH2      ARG   5   1.562   2.432  13.861
   49   2HH2  ARG   5          2HH2      ARG   5   0.871   0.860  13.638
   50    H    CYS   6           H        CYS   6   0.662   5.214   7.901
   51    HA   CYS   6           HA       CYS   6   1.085   7.383   5.955
   52   1HB   CYS   6          1HB       CYS   6   2.954   5.898   7.579
   53   2HB   CYS   6          2HB       CYS   6   3.314   5.677   5.869
   54    H    LEU   7           H        LEU   7  -0.311   6.742   4.394
   55    HA   LEU   7           HA       LEU   7   0.421   4.292   2.965
   56   1HB   LEU   7          1HB       LEU   7  -2.355   5.327   3.506
   57   2HB   LEU   7          2HB       LEU   7  -2.008   4.113   2.303
   58    HG   LEU   7           HG       LEU   7  -2.493   2.609   3.878
   59   1HD1  LEU   7          1HD1      LEU   7   0.127   2.787   4.015
   60   2HD1  LEU   7          2HD1      LEU   7  -0.779   1.781   5.139
   61   3HD1  LEU   7          3HD1      LEU   7  -0.222   3.376   5.639
   62   1HD2  LEU   7          1HD2      LEU   7  -3.646   4.332   5.133
   63   2HD2  LEU   7          2HD2      LEU   7  -2.144   4.766   5.948
   64   3HD2  LEU   7          3HD2      LEU   7  -2.865   3.178   6.214
   65    H    SER   8           H        SER   8   1.424   6.835   2.532
   66    HA   SER   8           HA       SER   8   0.894   7.190  -0.223
   67   1HB   SER   8          1HB       SER   8  -0.432   9.061   1.705
   68   2HB   SER   8          2HB       SER   8   0.171   9.696   0.174
   69    HG   SER   8           HG       SER   8  -2.068   8.907   0.204
   70    H    CYS   9           H        CYS   9   1.789   9.345   2.482
   71    HA   CYS   9           HA       CYS   9   3.706  10.466   2.965
   72   1HB   CYS   9          1HB       CYS   9   4.526   7.946   2.056
   73   2HB   CYS   9          2HB       CYS   9   5.554   9.095   1.205
   74    H    GLY  10           H        GLY  10   2.056  11.031   0.484
   75   1HA   GLY  10          1HA       GLY  10   2.700  13.316  -0.473
   76   2HA   GLY  10          2HA       GLY  10   4.100  12.453  -1.093
   77    H    LYS  11           H        LYS  11   2.407  10.029  -1.535
   78    HA   LYS  11           HA       LYS  11   0.891  10.981  -3.864
   79   1HB   LYS  11          1HB       LYS  11   3.263   9.429  -3.877
   80   2HB   LYS  11          2HB       LYS  11   1.946   8.369  -4.370
   81   1HG   LYS  11          1HG       LYS  11   3.004   9.440  -6.286
   82   2HG   LYS  11          2HG       LYS  11   1.323   9.950  -6.114
   83   1HD   LYS  11          1HD       LYS  11   1.995  12.012  -5.100
   84   2HD   LYS  11          2HD       LYS  11   3.681  11.505  -5.100
   85   1HE   LYS  11          1HE       LYS  11   2.890  11.225  -7.740
   86   2HE   LYS  11          2HE       LYS  11   2.102  12.712  -7.213
   87   1HZ   LYS  11          1HZ       LYS  11   4.982  12.202  -6.756
   88   2HZ   LYS  11          2HZ       LYS  11   4.155  13.675  -6.661
   89   3HZ   LYS  11          3HZ       LYS  11   4.408  12.942  -8.165
   90    HA   PRO  12           HA       PRO  12  -2.407   8.546  -2.189
   91   1HB   PRO  12          1HB       PRO  12  -3.861   8.188  -4.462
   92   2HB   PRO  12          2HB       PRO  12  -3.838   9.705  -3.556
   93   1HG   PRO  12          1HG       PRO  12  -2.311   8.943  -6.019
   94   2HG   PRO  12          2HG       PRO  12  -3.143  10.465  -5.645
   95   1HD   PRO  12          1HD       PRO  12  -0.466  10.197  -5.401
   96   2HD   PRO  12          2HD       PRO  12  -1.417  11.225  -4.309
   97    H    VAL  13           H        VAL  13  -2.440   6.440  -1.717
   98    HA   VAL  13           HA       VAL  13  -1.275   4.564  -3.649
   99    HB   VAL  13           HB       VAL  13  -0.772   3.097  -1.868
  100   1HG1  VAL  13          1HG1      VAL  13   0.303   4.740  -0.148
  101   2HG1  VAL  13          2HG1      VAL  13  -0.228   5.976  -1.290
  102   3HG1  VAL  13          3HG1      VAL  13   0.879   4.707  -1.817
  103   1HG2  VAL  13          1HG2      VAL  13  -2.770   3.068  -0.587
  104   2HG2  VAL  13          2HG2      VAL  13  -2.618   4.778  -0.184
  105   3HG2  VAL  13          3HG2      VAL  13  -1.485   3.608   0.496
  106    H    SER  14           H        SER  14  -4.205   5.676  -3.268
  107    HA   SER  14           HA       SER  14  -5.736   3.311  -2.763
  108   1HB   SER  14          1HB       SER  14  -6.881   5.664  -4.219
  109   2HB   SER  14          2HB       SER  14  -7.607   4.660  -2.959
  110    HG   SER  14           HG       SER  14  -7.002   6.778  -2.238
  111    H    ALA  15           H        ALA  15  -5.614   5.340  -5.691
  112    HA   ALA  15           HA       ALA  15  -6.782   3.548  -7.428
  113   1HB   ALA  15          1HB       ALA  15  -5.730   6.058  -7.646
  114   2HB   ALA  15          2HB       ALA  15  -6.374   5.105  -8.983
  115   3HB   ALA  15          3HB       ALA  15  -4.641   5.111  -8.659
  116    H    TYR  16           H        TYR  16  -3.564   3.507  -6.134
  117    HA   TYR  16           HA       TYR  16  -2.576   1.689  -8.152
  118   1HB   TYR  16          1HB       TYR  16  -1.423   3.174  -5.854
  119   2HB   TYR  16          2HB       TYR  16  -0.614   1.692  -6.343
  120    HD1  TYR  16           HD1      TYR  16  -0.959   5.163  -6.981
  121    HD2  TYR  16           HD2      TYR  16  -0.031   1.456  -8.854
  122    HE1  TYR  16           HE1      TYR  16   0.159   6.374  -8.808
  123    HE2  TYR  16           HE2      TYR  16   1.090   2.656 -10.685
  124    HH   TYR  16           HH       TYR  16   0.770   5.232 -11.668
  125    H    PHE  17           H        PHE  17  -3.902   1.504  -4.930
  126    HA   PHE  17           HA       PHE  17  -2.977  -0.937  -4.033
  127   1HB   PHE  17          1HB       PHE  17  -5.517   0.571  -3.681
  128   2HB   PHE  17          2HB       PHE  17  -5.520  -1.121  -3.204
  129    HD1  PHE  17           HD1      PHE  17  -2.270   0.239  -2.751
  130    HD2  PHE  17           HD2      PHE  17  -6.155   0.087  -1.008
  131    HE1  PHE  17           HE1      PHE  17  -1.313   0.835  -0.571
  132    HE2  PHE  17           HE2      PHE  17  -5.197   0.688   1.175
  133    HZ   PHE  17           HZ       PHE  17  -2.775   1.064   1.396
  134    H    ASN  18           H        ASN  18  -5.164  -0.269  -6.646
  135    HA   ASN  18           HA       ASN  18  -6.313  -2.826  -6.937
  136   1HB   ASN  18          1HB       ASN  18  -5.819  -0.542  -8.834
  137   2HB   ASN  18          2HB       ASN  18  -6.489  -2.065  -9.411
  138   1HD2  ASN  18          1HD2      ASN  18  -8.312  -0.709 -10.003
  139   2HD2  ASN  18          2HD2      ASN  18  -9.521  -0.363  -8.810
  140    H    GLU  19           H        GLU  19  -3.243  -1.465  -7.871
  141    HA   GLU  19           HA       GLU  19  -2.442  -3.538  -9.643
  142   1HB   GLU  19          1HB       GLU  19  -1.450  -1.083  -9.024
  143   2HB   GLU  19          2HB       GLU  19  -0.339  -2.109  -8.132
  144   1HG   GLU  19          1HG       GLU  19   0.692  -1.822 -10.188
  145   2HG   GLU  19          2HG       GLU  19  -0.073  -3.405 -10.321
  146    H    TYR  20           H        TYR  20  -1.744  -2.854  -6.230
  147    HA   TYR  20           HA       TYR  20  -0.157  -5.067  -5.652
  148   1HB   TYR  20          1HB       TYR  20  -0.336  -3.370  -4.005
  149   2HB   TYR  20          2HB       TYR  20  -2.090  -3.461  -3.983
  150    HD1  TYR  20           HD1      TYR  20  -3.216  -5.368  -2.868
  151    HD2  TYR  20           HD2      TYR  20   0.995  -4.816  -2.643
  152    HE1  TYR  20           HE1      TYR  20  -3.125  -6.906  -0.951
  153    HE2  TYR  20           HE2      TYR  20   1.101  -6.354  -0.723
  154    HH   TYR  20           HH       TYR  20  -1.069  -7.087   1.166
  155    H    GLN  21           H        GLN  21  -3.673  -4.698  -5.433
  156    HA   GLN  21           HA       GLN  21  -4.328  -7.233  -4.514
  157   1HB   GLN  21          1HB       GLN  21  -5.970  -5.444  -4.644
  158   2HB   GLN  21          2HB       GLN  21  -5.864  -5.436  -6.400
  159   1HG   GLN  21          1HG       GLN  21  -7.230  -7.199  -6.624
  160   2HG   GLN  21          2HG       GLN  21  -6.567  -8.027  -5.214
  161   1HE2  GLN  21          1HE2      GLN  21  -7.665  -7.975  -3.355
  162   2HE2  GLN  21          2HE2      GLN  21  -9.101  -7.055  -3.077
  163    H    ARG  22           H        ARG  22  -4.294  -6.123  -7.904
  164    HA   ARG  22           HA       ARG  22  -4.833  -8.552  -9.119
  165   1HB   ARG  22          1HB       ARG  22  -3.211  -6.184 -10.036
  166   2HB   ARG  22          2HB       ARG  22  -3.491  -7.578 -11.072
  167   1HG   ARG  22          1HG       ARG  22  -6.000  -6.816 -10.049
  168   2HG   ARG  22          2HG       ARG  22  -5.184  -5.340 -10.571
  169   1HD   ARG  22          1HD       ARG  22  -4.855  -6.211 -12.769
  170   2HD   ARG  22          2HD       ARG  22  -5.403  -7.812 -12.276
  171    HE   ARG  22           HE       ARG  22  -7.544  -6.248 -11.758
  172   1HH1  ARG  22          1HH1      ARG  22  -5.536  -6.687 -14.569
  173   2HH1  ARG  22          2HH1      ARG  22  -6.806  -6.333 -15.692
  174   1HH2  ARG  22          1HH2      ARG  22  -9.225  -5.780 -13.229
  175   2HH2  ARG  22          2HH2      ARG  22  -8.902  -5.819 -14.930
  176    H    ARG  23           H        ARG  23  -1.631  -7.122  -8.477
  177    HA   ARG  23           HA       ARG  23  -0.105  -9.272  -9.393
  178   1HB   ARG  23          1HB       ARG  23   0.371  -6.839  -7.962
  179   2HB   ARG  23          2HB       ARG  23   1.341  -8.152  -7.295
  180   1HG   ARG  23          1HG       ARG  23   2.722  -7.466  -8.952
  181   2HG   ARG  23          2HG       ARG  23   1.783  -8.646  -9.847
  182   1HD   ARG  23          1HD       ARG  23   0.232  -6.572 -10.289
  183   2HD   ARG  23          2HD       ARG  23   1.720  -5.674  -9.979
  184    HE   ARG  23           HE       ARG  23   1.078  -7.165 -12.317
  185   1HH1  ARG  23          1HH1      ARG  23   3.725  -6.233 -10.252
  186   2HH1  ARG  23          2HH1      ARG  23   4.915  -6.361 -11.504
  187   1HH2  ARG  23          1HH2      ARG  23   2.637  -7.336 -13.971
  188   2HH2  ARG  23          2HH2      ARG  23   4.296  -6.987 -13.619
  189    H    VAL  24           H        VAL  24  -0.846  -8.456  -5.995
  190    HA   VAL  24           HA       VAL  24   0.164 -10.715  -4.785
  191    HB   VAL  24           HB       VAL  24  -2.335  -9.213  -3.984
  192   1HG1  VAL  24          1HG1      VAL  24  -1.049 -11.527  -2.856
  193   2HG1  VAL  24          2HG1      VAL  24  -2.548 -10.732  -2.376
  194   3HG1  VAL  24          3HG1      VAL  24  -1.007 -10.177  -1.722
  195   1HG2  VAL  24          1HG2      VAL  24   0.376  -8.395  -4.064
  196   2HG2  VAL  24          2HG2      VAL  24  -0.078  -8.599  -2.372
  197   3HG2  VAL  24          3HG2      VAL  24  -1.014  -7.527  -3.413
  198    H    ALA  25           H        ALA  25  -2.775 -10.334  -6.607
  199    HA   ALA  25           HA       ALA  25  -4.096 -12.689  -5.765
  200   1HB   ALA  25          1HB       ALA  25  -5.549 -12.360  -7.635
  201   2HB   ALA  25          2HB       ALA  25  -4.368 -11.323  -8.436
  202   3HB   ALA  25          3HB       ALA  25  -5.163 -10.777  -6.960
  203    H    ASP  26           H        ASP  26  -2.454 -12.053  -8.871
  204    HA   ASP  26           HA       ASP  26  -2.407 -14.688  -9.760
  205   1HB   ASP  26          1HB       ASP  26  -0.993 -12.189 -10.446
  206   2HB   ASP  26          2HB       ASP  26  -0.157 -13.669 -10.906
  207    H    GLY  27           H        GLY  27  -0.442 -13.089  -7.404
  208   1HA   GLY  27          1HA       GLY  27   0.700 -14.506  -5.785
  209   2HA   GLY  27          2HA       GLY  27   1.135 -15.569  -7.114
  210    H    GLU  28           H        GLU  28   1.325 -12.082  -7.345
  211    HA   GLU  28           HA       GLU  28   4.194 -12.310  -7.798
  212   1HB   GLU  28          1HB       GLU  28   2.329  -9.956  -8.160
  213   2HB   GLU  28          2HB       GLU  28   4.017 -10.007  -8.641
  214   1HG   GLU  28          1HG       GLU  28   3.099 -12.169  -9.945
  215   2HG   GLU  28          2HG       GLU  28   1.644 -11.172  -9.928
  216    H    ASP  29           H        ASP  29   5.742 -11.133  -6.666
  217    HA   ASP  29           HA       ASP  29   5.265 -10.756  -3.911
  218   1HB   ASP  29          1HB       ASP  29   7.520 -10.711  -5.689
  219   2HB   ASP  29          2HB       ASP  29   7.586  -9.306  -4.629
  220    HA   PRO  30           HA       PRO  30   3.212  -6.768  -4.292
  221   1HB   PRO  30          1HB       PRO  30   3.852  -6.691  -1.388
  222   2HB   PRO  30          2HB       PRO  30   2.320  -6.415  -2.219
  223   1HG   PRO  30          1HG       PRO  30   2.773  -8.688  -0.896
  224   2HG   PRO  30          2HG       PRO  30   1.864  -8.675  -2.419
  225   1HD   PRO  30          1HD       PRO  30   4.679  -9.518  -1.895
  226   2HD   PRO  30          2HD       PRO  30   3.489 -10.194  -3.026
  227    H    LYS  31           H        LYS  31   6.229  -7.268  -2.491
  228    HA   LYS  31           HA       LYS  31   7.107  -4.704  -2.127
  229   1HB   LYS  31          1HB       LYS  31   8.293  -7.293  -2.202
  230   2HB   LYS  31          2HB       LYS  31   9.330  -6.187  -3.088
  231   1HG   LYS  31          1HG       LYS  31   8.297  -5.412  -0.399
  232   2HG   LYS  31          2HG       LYS  31   9.666  -6.519  -0.536
  233   1HD   LYS  31          1HD       LYS  31  10.180  -4.405  -2.315
  234   2HD   LYS  31          2HD       LYS  31   9.604  -3.664  -0.821
  235   1HE   LYS  31          1HE       LYS  31  12.008  -3.892  -0.744
  236   2HE   LYS  31          2HE       LYS  31  11.267  -4.968   0.441
  237   1HZ   LYS  31          1HZ       LYS  31  11.879  -6.013  -2.232
  238   2HZ   LYS  31          2HZ       LYS  31  11.838  -6.819  -0.745
  239   3HZ   LYS  31          3HZ       LYS  31  13.146  -5.817  -1.127
  240    H    ASP  32           H        ASP  32   7.361  -6.640  -5.087
  241    HA   ASP  32           HA       ASP  32   8.666  -4.650  -6.630
  242   1HB   ASP  32          1HB       ASP  32   7.730  -7.297  -7.029
  243   2HB   ASP  32          2HB       ASP  32   6.996  -6.296  -8.277
  244    H    VAL  33           H        VAL  33   5.298  -5.486  -6.022
  245    HA   VAL  33           HA       VAL  33   4.080  -3.744  -7.846
  246    HB   VAL  33           HB       VAL  33   3.048  -4.566  -5.126
  247   1HG1  VAL  33          1HG1      VAL  33   1.069  -4.100  -7.184
  248   2HG1  VAL  33          2HG1      VAL  33   2.042  -2.660  -6.880
  249   3HG1  VAL  33          3HG1      VAL  33   1.177  -3.436  -5.553
  250   1HG2  VAL  33          1HG2      VAL  33   3.477  -6.550  -6.336
  251   2HG2  VAL  33          2HG2      VAL  33   2.841  -5.862  -7.832
  252   3HG2  VAL  33          3HG2      VAL  33   1.748  -6.242  -6.501
  253    H    LEU  34           H        LEU  34   5.103  -3.254  -4.479
  254    HA   LEU  34           HA       LEU  34   4.159  -0.706  -4.028
  255   1HB   LEU  34          1HB       LEU  34   6.617  -2.143  -3.112
  256   2HB   LEU  34          2HB       LEU  34   6.400  -0.458  -2.699
  257    HG   LEU  34           HG       LEU  34   5.660  -2.134  -0.953
  258   1HD1  LEU  34          1HD1      LEU  34   4.189  -0.628  -0.134
  259   2HD1  LEU  34          2HD1      LEU  34   3.270  -0.542  -1.636
  260   3HD1  LEU  34          3HD1      LEU  34   4.786   0.343  -1.480
  261   1HD2  LEU  34          1HD2      LEU  34   3.293  -2.959  -1.360
  262   2HD2  LEU  34          2HD2      LEU  34   4.593  -3.806  -2.198
  263   3HD2  LEU  34          3HD2      LEU  34   3.596  -2.641  -3.067
  264    H    ASP  35           H        ASP  35   7.090  -1.703  -5.728
  265    HA   ASP  35           HA       ASP  35   8.167   0.830  -6.209
  266   1HB   ASP  35          1HB       ASP  35   9.050  -1.615  -6.754
  267   2HB   ASP  35          2HB       ASP  35   8.344  -1.270  -8.330
  268    H    ASP  36           H        ASP  36   5.613  -0.978  -7.769
  269    HA   ASP  36           HA       ASP  36   5.275   0.940  -9.908
  270   1HB   ASP  36          1HB       ASP  36   4.327  -1.724  -9.291
  271   2HB   ASP  36          2HB       ASP  36   2.984  -0.682  -9.751
  272    H    LEU  37           H        LEU  37   3.582   0.013  -6.939
  273    HA   LEU  37           HA       LEU  37   1.315   1.544  -7.058
  274   1HB   LEU  37          1HB       LEU  37   3.105   0.741  -4.803
  275   2HB   LEU  37          2HB       LEU  37   1.772   1.830  -4.489
  276    HG   LEU  37           HG       LEU  37   0.977  -0.549  -5.993
  277   1HD1  LEU  37          1HD1      LEU  37   1.038  -1.975  -3.914
  278   2HD1  LEU  37          2HD1      LEU  37   2.190  -0.814  -3.254
  279   3HD1  LEU  37          3HD1      LEU  37   2.587  -1.717  -4.715
  280   1HD2  LEU  37          1HD2      LEU  37  -0.218  -0.026  -3.388
  281   2HD2  LEU  37          2HD2      LEU  37  -0.967  -0.132  -4.981
  282   3HD2  LEU  37          3HD2      LEU  37  -0.225   1.378  -4.456
  283    H    GLY  38           H        GLY  38   4.504   2.580  -5.876
  284   1HA   GLY  38          1HA       GLY  38   5.466   4.681  -6.233
  285   2HA   GLY  38          2HA       GLY  38   3.896   5.301  -6.718
  286    H    LEU  39           H        LEU  39   5.285   3.816  -3.785
  287    HA   LEU  39           HA       LEU  39   4.097   6.029  -2.245
  288   1HB   LEU  39          1HB       LEU  39   4.775   3.446  -0.932
  289   2HB   LEU  39          2HB       LEU  39   3.499   4.589  -0.560
  290    HG   LEU  39           HG       LEU  39   2.447   3.800  -2.789
  291   1HD1  LEU  39          1HD1      LEU  39   4.725   1.994  -2.506
  292   2HD1  LEU  39          2HD1      LEU  39   3.755   2.387  -3.925
  293   3HD1  LEU  39          3HD1      LEU  39   3.186   1.175  -2.775
  294   1HD2  LEU  39          1HD2      LEU  39   2.416   1.645  -0.744
  295   2HD2  LEU  39          2HD2      LEU  39   1.079   2.404  -1.610
  296   3HD2  LEU  39          3HD2      LEU  39   1.869   3.258  -0.284
  297    H    LYS  40           H        LYS  40   5.500   7.348  -1.304
  298    HA   LYS  40           HA       LYS  40   8.309   6.762  -1.317
  299   1HB   LYS  40          1HB       LYS  40   6.654   9.107  -0.426
  300   2HB   LYS  40          2HB       LYS  40   8.373   9.030  -0.068
  301   1HG   LYS  40          1HG       LYS  40   8.296  10.256  -2.026
  302   2HG   LYS  40          2HG       LYS  40   8.658   8.625  -2.595
  303   1HD   LYS  40          1HD       LYS  40   6.468   8.285  -3.360
  304   2HD   LYS  40          2HD       LYS  40   5.839   9.642  -2.424
  305   1HE   LYS  40          1HE       LYS  40   5.960  10.770  -4.357
  306   2HE   LYS  40          2HE       LYS  40   7.684  10.872  -4.003
  307   1HZ   LYS  40          1HZ       LYS  40   7.361  10.088  -6.234
  308   2HZ   LYS  40          2HZ       LYS  40   6.355   8.836  -5.706
  309   3HZ   LYS  40          3HZ       LYS  40   7.998   8.827  -5.303
  310    H    ARG  41           H        ARG  41   9.705   6.772   0.513
  311    HA   ARG  41           HA       ARG  41  10.390   6.084   2.566
  312   1HB   ARG  41          1HB       ARG  41   7.683   7.135   3.413
  313   2HB   ARG  41          2HB       ARG  41   8.985   6.705   4.512
  314   1HG   ARG  41          1HG       ARG  41   9.445   8.731   2.365
  315   2HG   ARG  41          2HG       ARG  41   8.622   9.182   3.859
  316   1HD   ARG  41          1HD       ARG  41  10.730   9.597   4.557
  317   2HD   ARG  41          2HD       ARG  41  10.721   7.865   4.886
  318    HE   ARG  41           HE       ARG  41  11.571   8.205   2.261
  319   1HH1  ARG  41          1HH1      ARG  41  12.647   9.013   5.473
  320   2HH1  ARG  41          2HH1      ARG  41  14.329   8.974   5.060
  321   1HH2  ARG  41          1HH2      ARG  41  13.782   8.151   1.705
  322   2HH2  ARG  41          2HH2      ARG  41  14.975   8.484   2.916
  323    H    TYR  42           H        TYR  42  10.468   4.186   3.667
  324    HA   TYR  42           HA       TYR  42   8.708   2.095   2.823
  325   1HB   TYR  42          1HB       TYR  42  11.286   2.126   3.650
  326   2HB   TYR  42          2HB       TYR  42  10.491   1.600   5.131
  327    HD1  TYR  42           HD1      TYR  42   8.620  -0.296   4.669
  328    HD2  TYR  42           HD2      TYR  42  12.029   0.468   2.241
  329    HE1  TYR  42           HE1      TYR  42   8.504  -2.591   3.795
  330    HE2  TYR  42           HE2      TYR  42  11.923  -1.826   1.361
  331    HH   TYR  42           HH       TYR  42  10.537  -4.237   2.667
  332    H    CYS  43           H        CYS  43   8.761   4.295   5.460
  333    HA   CYS  43           HA       CYS  43   7.552   2.962   7.524
  334   1HB   CYS  43          1HB       CYS  43   6.504   5.141   8.122
  335   2HB   CYS  43          2HB       CYS  43   8.218   5.274   7.744
  336    H    CYS  44           H        CYS  44   6.198   3.845   4.460
  337    HA   CYS  44           HA       CYS  44   3.470   3.310   5.296
  338   1HB   CYS  44          1HB       CYS  44   4.287   3.657   2.430
  339   2HB   CYS  44          2HB       CYS  44   2.791   4.143   3.225
  340    H    ARG  45           H        ARG  45   5.564   2.021   2.704
  341    HA   ARG  45           HA       ARG  45   4.118  -0.140   1.942
  342   1HB   ARG  45          1HB       ARG  45   7.112  -0.169   2.327
  343   2HB   ARG  45          2HB       ARG  45   6.193  -1.216   1.259
  344   1HG   ARG  45          1HG       ARG  45   6.387   0.256  -0.372
  345   2HG   ARG  45          2HG       ARG  45   5.554   1.466   0.604
  346   1HD   ARG  45          1HD       ARG  45   7.482   2.483   1.234
  347   2HD   ARG  45          2HD       ARG  45   8.402   0.978   1.231
  348    HE   ARG  45           HE       ARG  45   7.626   1.894  -1.387
  349   1HH1  ARG  45          1HH1      ARG  45  10.035   2.049   1.123
  350   2HH1  ARG  45          2HH1      ARG  45  11.310   2.519   0.049
  351   1HH2  ARG  45          1HH2      ARG  45   9.298   2.512  -2.809
  352   2HH2  ARG  45          2HH2      ARG  45  10.891   2.783  -2.186
  353    H    ARG  46           H        ARG  46   6.533  -0.210   4.575
  354    HA   ARG  46           HA       ARG  46   6.502  -2.765   5.394
  355   1HB   ARG  46          1HB       ARG  46   6.931  -2.036   7.651
  356   2HB   ARG  46          2HB       ARG  46   7.712  -0.923   6.535
  357   1HG   ARG  46          1HG       ARG  46   5.727   0.587   6.812
  358   2HG   ARG  46          2HG       ARG  46   5.184  -0.487   8.102
  359   1HD   ARG  46          1HD       ARG  46   7.383  -0.119   9.229
  360   2HD   ARG  46          2HD       ARG  46   7.744   1.097   8.006
  361    HE   ARG  46           HE       ARG  46   6.344   2.549   9.088
  362   1HH1  ARG  46          1HH1      ARG  46   5.741  -0.686  10.228
  363   2HH1  ARG  46          2HH1      ARG  46   4.678  -0.179  11.498
  364   1HH2  ARG  46          1HH2      ARG  46   4.947   3.228  10.755
  365   2HH2  ARG  46          2HH2      ARG  46   4.226   2.048  11.798
  366    H    MET  47           H        MET  47   3.967  -0.422   6.181
  367    HA   MET  47           HA       MET  47   2.401  -2.371   7.602
  368   1HB   MET  47          1HB       MET  47   1.510   0.327   6.586
  369   2HB   MET  47          2HB       MET  47   0.780  -0.618   7.873
  370   1HG   MET  47          1HG       MET  47   2.787  -0.301   9.235
  371   2HG   MET  47          2HG       MET  47   3.503   0.661   7.942
  372   1HE   MET  47          1HE       MET  47   0.190   1.645   7.320
  373   2HE   MET  47          2HE       MET  47   1.553   2.662   6.851
  374   3HE   MET  47          3HE       MET  47   0.296   3.303   7.912
  375    H    LEU  48           H        LEU  48   2.443  -0.887   4.426
  376    HA   LEU  48           HA       LEU  48  -0.030  -1.962   3.555
  377   1HB   LEU  48          1HB       LEU  48   2.258  -1.071   1.809
  378   2HB   LEU  48          2HB       LEU  48   0.560  -1.151   1.378
  379    HG   LEU  48           HG       LEU  48   1.436   0.642   3.605
  380   1HD1  LEU  48          1HD1      LEU  48   2.524   2.061   2.293
  381   2HD1  LEU  48          2HD1      LEU  48   1.216   2.049   1.113
  382   3HD1  LEU  48          3HD1      LEU  48   2.493   0.835   1.026
  383   1HD2  LEU  48          1HD2      LEU  48  -0.481   1.962   2.357
  384   2HD2  LEU  48          2HD2      LEU  48  -0.839   0.692   3.527
  385   3HD2  LEU  48          3HD2      LEU  48  -0.900   0.341   1.799
  386    H    ILE  49           H        ILE  49   3.230  -2.715   2.278
  387    HA   ILE  49           HA       ILE  49   2.670  -4.898   0.784
  388    HB   ILE  49           HB       ILE  49   4.933  -5.852   1.551
  389   1HG1  ILE  49          1HG1      ILE  49   5.684  -3.212   2.563
  390   2HG1  ILE  49          2HG1      ILE  49   4.582  -4.081   3.630
  391   1HG2  ILE  49          1HG2      ILE  49   4.529  -3.181   0.251
  392   2HG2  ILE  49          2HG2      ILE  49   4.844  -4.742  -0.505
  393   3HG2  ILE  49          3HG2      ILE  49   6.126  -3.918   0.383
  394   1HD1  ILE  49          1HD1      ILE  49   6.117  -5.974   3.672
  395   2HD1  ILE  49          2HD1      ILE  49   6.892  -4.491   4.231
  396   3HD1  ILE  49          3HD1      ILE  49   7.219  -5.101   2.608
  397    H    SER  50           H        SER  50   2.735  -4.800   4.267
  398    HA   SER  50           HA       SER  50   2.558  -7.664   4.552
  399   1HB   SER  50          1HB       SER  50   3.461  -5.717   6.208
  400   2HB   SER  50          2HB       SER  50   1.837  -5.951   6.854
  401    HG   SER  50           HG       SER  50   3.522  -8.149   6.330
  402    H    HIS  51           H        HIS  51   0.398  -5.133   5.839
  403    HA   HIS  51           HA       HIS  51  -1.829  -6.979   5.664
  404   1HB   HIS  51          1HB       HIS  51  -1.139  -4.906   7.402
  405   2HB   HIS  51          2HB       HIS  51  -2.535  -4.298   6.519
  406    HD2  HIS  51           HD2      HIS  51  -4.943  -5.524   7.054
  407    HE1  HIS  51           HE1      HIS  51  -3.419  -8.063  10.080
  408    HE2  HIS  51           HE2      HIS  51  -5.520  -7.191   8.959
  409    H    VAL  52           H        VAL  52  -1.795  -3.501   4.929
  410    HA   VAL  52           HA       VAL  52  -3.073  -2.320   3.436
  411    HB   VAL  52           HB       VAL  52  -0.984  -2.913   2.206
  412   1HG1  VAL  52          1HG1      VAL  52  -1.349  -5.313   2.025
  413   2HG1  VAL  52          2HG1      VAL  52  -1.083  -4.583   0.441
  414   3HG1  VAL  52          3HG1      VAL  52  -2.714  -5.029   0.945
  415   1HG2  VAL  52          1HG2      VAL  52  -2.314  -2.662  -0.134
  416   2HG2  VAL  52          2HG2      VAL  52  -1.997  -1.332   0.981
  417   3HG2  VAL  52          3HG2      VAL  52  -3.555  -2.157   1.013
  418    H    GLU  53           H        GLU  53  -4.538  -4.505   4.629
  419    HA   GLU  53           HA       GLU  53  -6.578  -5.491   4.432
  420   1HB   GLU  53          1HB       GLU  53  -6.724  -3.269   2.786
  421   2HB   GLU  53          2HB       GLU  53  -7.235  -4.584   1.735
  422   1HG   GLU  53          1HG       GLU  53  -8.752  -5.213   3.768
  423   2HG   GLU  53          2HG       GLU  53  -8.505  -3.522   4.205
  424    H    THR  54           H        THR  54  -7.883  -6.484   2.104
  425    HA   THR  54           HA       THR  54  -7.864  -8.202   0.599
  426    HB   THR  54           HB       THR  54  -6.004  -8.704  -0.659
  427    HG1  THR  54           HG1      THR  54  -4.420  -9.545   0.465
  428   1HG2  THR  54          1HG2      THR  54  -6.324  -6.072  -0.078
  429   2HG2  THR  54          2HG2      THR  54  -5.203  -6.695  -1.289
  430   3HG2  THR  54          3HG2      THR  54  -4.623  -6.304   0.330
  431    H    TRP  55           H        TRP  55  -7.703  -8.458   3.592
  432    HA   TRP  55           HA       TRP  55  -7.561 -10.075   5.190
  433   1HB   TRP  55          1HB       TRP  55  -9.214 -11.035   3.491
  434   2HB   TRP  55          2HB       TRP  55  -7.888 -12.050   2.933
  435    HD1  TRP  55           HD1      TRP  55  -7.300 -14.165   4.349
  436    HE1  TRP  55           HE1      TRP  55  -8.340 -15.260   6.435
  437    HE3  TRP  55           HE3      TRP  55 -10.448 -10.393   5.764
  438    HZ2  TRP  55           HZ2      TRP  55 -10.242 -14.612   8.416
  439    HZ3  TRP  55           HZ3      TRP  55 -11.844 -10.710   7.767
  440    HH2  TRP  55           HH2      TRP  55 -11.742 -12.776   9.064
  Start of MODEL   19
    1    H    MET   1           H        MET   1  -8.128   4.625   0.246
    2    HA   MET   1           HA       MET   1  -6.254   3.228   1.792
    3   1HB   MET   1          1HB       MET   1  -4.929   5.232   1.745
    4   2HB   MET   1          2HB       MET   1  -5.723   5.062   0.188
    5   1HG   MET   1          1HG       MET   1  -6.025   7.289   0.603
    6   2HG   MET   1          2HG       MET   1  -7.524   6.615   1.240
    7   1HE   MET   1          1HE       MET   1  -4.128   6.181   3.484
    8   2HE   MET   1          2HE       MET   1  -3.909   7.910   3.749
    9   3HE   MET   1          3HE       MET   1  -3.894   7.261   2.109
   10    H    ILE   2           H        ILE   2  -5.434   3.644   3.881
   11    HA   ILE   2           HA       ILE   2  -7.511   4.310   5.785
   12    HB   ILE   2           HB       ILE   2  -4.728   3.207   6.133
   13   1HG1  ILE   2          1HG1      ILE   2  -5.978   1.190   6.889
   14   2HG1  ILE   2          2HG1      ILE   2  -7.481   2.007   6.468
   15   1HG2  ILE   2          1HG2      ILE   2  -6.781   3.618   8.299
   16   2HG2  ILE   2          2HG2      ILE   2  -5.359   4.630   8.057
   17   3HG2  ILE   2          3HG2      ILE   2  -5.166   2.931   8.480
   18   1HD1  ILE   2          1HD1      ILE   2  -7.085   1.853   4.206
   19   2HD1  ILE   2          2HD1      ILE   2  -6.431   0.330   4.813
   20   3HD1  ILE   2          3HD1      ILE   2  -5.344   1.662   4.417
   21    HA   PRO   3           HA       PRO   3  -5.907   8.438   6.429
   22   1HB   PRO   3          1HB       PRO   3  -7.430   9.163   8.481
   23   2HB   PRO   3          2HB       PRO   3  -8.173   8.847   6.905
   24   1HG   PRO   3          1HG       PRO   3  -7.933   7.016   9.284
   25   2HG   PRO   3          2HG       PRO   3  -9.384   7.405   8.331
   26   1HD   PRO   3          1HD       PRO   3  -7.906   5.165   7.895
   27   2HD   PRO   3          2HD       PRO   3  -8.763   6.011   6.589
   28    H    VAL   4           H        VAL   4  -5.169   9.730   8.497
   29    HA   VAL   4           HA       VAL   4  -3.763   9.898  10.283
   30    HB   VAL   4           HB       VAL   4  -5.305   7.408  10.800
   31   1HG1  VAL   4          1HG1      VAL   4  -2.714   7.991  12.183
   32   2HG1  VAL   4          2HG1      VAL   4  -3.384   6.441  11.661
   33   3HG1  VAL   4          3HG1      VAL   4  -4.050   7.264  13.075
   34   1HG2  VAL   4          1HG2      VAL   4  -5.288   8.927  13.072
   35   2HG2  VAL   4          2HG2      VAL   4  -6.473   9.035  11.771
   36   3HG2  VAL   4          3HG2      VAL   4  -5.096  10.135  11.801
   37    H    ARG   5           H        ARG   5  -3.464   6.425   9.735
   38    HA   ARG   5           HA       ARG   5  -0.748   6.222  10.069
   39   1HB   ARG   5          1HB       ARG   5  -2.868   4.545   9.407
   40   2HB   ARG   5          2HB       ARG   5  -1.723   4.344   8.080
   41   1HG   ARG   5          1HG       ARG   5  -1.137   2.703   9.634
   42   2HG   ARG   5          2HG       ARG   5   0.038   3.992   9.902
   43   1HD   ARG   5          1HD       ARG   5  -0.544   3.931  12.050
   44   2HD   ARG   5          2HD       ARG   5  -2.088   4.633  11.567
   45    HE   ARG   5           HE       ARG   5  -2.016   1.778  11.315
   46   1HH1  ARG   5          1HH1      ARG   5  -2.557   4.431  13.504
   47   2HH1  ARG   5          2HH1      ARG   5  -3.563   3.512  14.574
   48   1HH2  ARG   5          1HH2      ARG   5  -3.337   0.559  12.714
   49   2HH2  ARG   5          2HH2      ARG   5  -4.007   1.309  14.125
   50    H    CYS   6           H        CYS   6   0.557   5.099   8.089
   51    HA   CYS   6           HA       CYS   6   0.748   7.219   6.067
   52   1HB   CYS   6          1HB       CYS   6   2.693   5.889   7.702
   53   2HB   CYS   6          2HB       CYS   6   3.056   5.580   6.007
   54    H    LEU   7           H        LEU   7  -0.548   6.556   4.461
   55    HA   LEU   7           HA       LEU   7   0.286   4.136   3.046
   56   1HB   LEU   7          1HB       LEU   7  -2.561   5.039   3.434
   57   2HB   LEU   7          2HB       LEU   7  -2.062   3.708   2.418
   58    HG   LEU   7           HG       LEU   7  -2.793   2.565   4.257
   59   1HD1  LEU   7          1HD1      LEU   7  -0.282   2.942   5.698
   60   2HD1  LEU   7          2HD1      LEU   7  -0.078   2.554   3.993
   61   3HD1  LEU   7          3HD1      LEU   7  -1.005   1.481   5.034
   62   1HD2  LEU   7          1HD2      LEU   7  -1.770   4.815   5.979
   63   2HD2  LEU   7          2HD2      LEU   7  -2.611   3.377   6.562
   64   3HD2  LEU   7          3HD2      LEU   7  -3.444   4.522   5.511
   65    H    SER   8           H        SER   8   1.178   6.713   2.631
   66    HA   SER   8           HA       SER   8   0.576   7.102  -0.120
   67   1HB   SER   8          1HB       SER   8  -0.722   8.872   1.903
   68   2HB   SER   8          2HB       SER   8  -0.098   9.621   0.433
   69    HG   SER   8           HG       SER   8  -2.216   9.004   0.075
   70    H    CYS   9           H        CYS   9   1.510   9.271   2.547
   71    HA   CYS   9           HA       CYS   9   3.445  10.355   3.030
   72   1HB   CYS   9          1HB       CYS   9   4.266   7.869   1.955
   73   2HB   CYS   9          2HB       CYS   9   5.311   9.099   1.249
   74    H    GLY  10           H        GLY  10   1.746  10.942   0.556
   75   1HA   GLY  10          1HA       GLY  10   2.374  13.274  -0.316
   76   2HA   GLY  10          2HA       GLY  10   3.763  12.435  -0.989
   77    H    LYS  11           H        LYS  11   1.960  10.042  -1.460
   78    HA   LYS  11           HA       LYS  11   0.411  11.101  -3.713
   79   1HB   LYS  11          1HB       LYS  11   2.804   9.520  -3.869
   80   2HB   LYS  11          2HB       LYS  11   1.453   8.617  -4.542
   81   1HG   LYS  11          1HG       LYS  11   2.648   9.932  -6.234
   82   2HG   LYS  11          2HG       LYS  11   0.962  10.427  -6.067
   83   1HD   LYS  11          1HD       LYS  11   1.523  12.388  -4.938
   84   2HD   LYS  11          2HD       LYS  11   3.145  11.812  -4.561
   85   1HE   LYS  11          1HE       LYS  11   3.564  11.821  -7.070
   86   2HE   LYS  11          2HE       LYS  11   2.065  12.740  -7.208
   87   1HZ   LYS  11          1HZ       LYS  11   3.587  13.958  -5.230
   88   2HZ   LYS  11          2HZ       LYS  11   3.224  14.556  -6.770
   89   3HZ   LYS  11          3HZ       LYS  11   4.637  13.660  -6.523
   90    HA   PRO  12           HA       PRO  12  -2.714   8.300  -2.385
   91   1HB   PRO  12          1HB       PRO  12  -3.623   7.839  -5.097
   92   2HB   PRO  12          2HB       PRO  12  -4.374   8.808  -3.829
   93   1HG   PRO  12          1HG       PRO  12  -3.261   9.874  -6.081
   94   2HG   PRO  12          2HG       PRO  12  -3.382  10.740  -4.540
   95   1HD   PRO  12          1HD       PRO  12  -1.027   9.356  -5.756
   96   2HD   PRO  12          2HD       PRO  12  -1.096  10.876  -4.844
   97    H    VAL  13           H        VAL  13  -2.728   6.199  -1.897
   98    HA   VAL  13           HA       VAL  13  -1.239   4.363  -3.635
   99    HB   VAL  13           HB       VAL  13  -0.941   2.921  -1.754
  100   1HG1  VAL  13          1HG1      VAL  13   0.088   4.576  -0.082
  101   2HG1  VAL  13          2HG1      VAL  13  -0.443   5.830  -1.205
  102   3HG1  VAL  13          3HG1      VAL  13   0.694   4.591  -1.740
  103   1HG2  VAL  13          1HG2      VAL  13  -2.797   4.773  -0.255
  104   2HG2  VAL  13          2HG2      VAL  13  -1.871   3.460   0.474
  105   3HG2  VAL  13          3HG2      VAL  13  -3.125   3.104  -0.715
  106    H    SER  14           H        SER  14  -4.406   5.157  -2.633
  107    HA   SER  14           HA       SER  14  -5.687   2.672  -2.725
  108   1HB   SER  14          1HB       SER  14  -7.095   5.092  -3.772
  109   2HB   SER  14          2HB       SER  14  -7.666   3.857  -2.646
  110    HG   SER  14           HG       SER  14  -7.300   5.587  -1.385
  111    H    ALA  15           H        ALA  15  -5.380   5.124  -5.300
  112    HA   ALA  15           HA       ALA  15  -6.619   3.688  -7.331
  113   1HB   ALA  15          1HB       ALA  15  -4.300   5.353  -8.099
  114   2HB   ALA  15          2HB       ALA  15  -5.579   6.146  -7.178
  115   3HB   ALA  15          3HB       ALA  15  -5.954   5.357  -8.710
  116    H    TYR  16           H        TYR  16  -3.374   3.451  -6.049
  117    HA   TYR  16           HA       TYR  16  -2.491   1.702  -8.179
  118   1HB   TYR  16          1HB       TYR  16  -1.241   3.056  -5.850
  119   2HB   TYR  16          2HB       TYR  16  -0.483   1.575  -6.419
  120    HD1  TYR  16           HD1      TYR  16  -0.809   5.085  -6.928
  121    HD2  TYR  16           HD2      TYR  16   0.119   1.438  -8.916
  122    HE1  TYR  16           HE1      TYR  16   0.314   6.350  -8.713
  123    HE2  TYR  16           HE2      TYR  16   1.245   2.694 -10.706
  124    HH   TYR  16           HH       TYR  16   1.827   6.125 -10.459
  125    H    PHE  17           H        PHE  17  -3.787   1.439  -4.968
  126    HA   PHE  17           HA       PHE  17  -2.888  -0.999  -4.085
  127   1HB   PHE  17          1HB       PHE  17  -5.478   0.449  -3.796
  128   2HB   PHE  17          2HB       PHE  17  -5.429  -1.234  -3.295
  129    HD1  PHE  17           HD1      PHE  17  -6.096  -0.160  -1.081
  130    HD2  PHE  17           HD2      PHE  17  -2.275   0.388  -2.879
  131    HE1  PHE  17           HE1      PHE  17  -5.170   0.514   1.095
  132    HE2  PHE  17           HE2      PHE  17  -1.346   1.061  -0.706
  133    HZ   PHE  17           HZ       PHE  17  -2.795   1.127   1.285
  134    H    ASN  18           H        ASN  18  -5.126  -0.337  -6.682
  135    HA   ASN  18           HA       ASN  18  -6.229  -2.886  -7.035
  136   1HB   ASN  18          1HB       ASN  18  -6.559  -0.498  -8.271
  137   2HB   ASN  18          2HB       ASN  18  -5.603  -1.342  -9.486
  138   1HD2  ASN  18          1HD2      ASN  18  -8.119  -0.562 -10.084
  139   2HD2  ASN  18          2HD2      ASN  18  -9.163  -1.941 -10.202
  140    H    GLU  19           H        GLU  19  -3.137  -1.537  -7.919
  141    HA   GLU  19           HA       GLU  19  -2.341  -3.630  -9.680
  142   1HB   GLU  19          1HB       GLU  19  -1.370  -1.167  -9.192
  143   2HB   GLU  19          2HB       GLU  19  -0.275  -2.103  -8.187
  144   1HG   GLU  19          1HG       GLU  19   0.875  -2.041 -10.158
  145   2HG   GLU  19          2HG       GLU  19  -0.006  -3.558 -10.334
  146    H    TYR  20           H        TYR  20  -1.562  -2.863  -6.299
  147    HA   TYR  20           HA       TYR  20   0.032  -5.077  -5.729
  148   1HB   TYR  20          1HB       TYR  20  -0.092  -3.301  -4.140
  149   2HB   TYR  20          2HB       TYR  20  -1.837  -3.448  -4.002
  150    HD1  TYR  20           HD1      TYR  20  -2.830  -5.304  -2.728
  151    HD2  TYR  20           HD2      TYR  20   1.381  -4.714  -2.874
  152    HE1  TYR  20           HE1      TYR  20  -2.563  -6.781  -0.782
  153    HE2  TYR  20           HE2      TYR  20   1.659  -6.191  -0.926
  154    HH   TYR  20           HH       TYR  20  -0.970  -8.072   0.345
  155    H    GLN  21           H        GLN  21  -3.467  -4.662  -5.391
  156    HA   GLN  21           HA       GLN  21  -4.063  -7.212  -4.397
  157   1HB   GLN  21          1HB       GLN  21  -5.680  -5.413  -4.319
  158   2HB   GLN  21          2HB       GLN  21  -5.736  -5.340  -6.075
  159   1HG   GLN  21          1HG       GLN  21  -7.217  -6.986  -6.202
  160   2HG   GLN  21          2HG       GLN  21  -6.335  -7.986  -5.052
  161   1HE2  GLN  21          1HE2      GLN  21  -7.498  -4.757  -4.341
  162   2HE2  GLN  21          2HE2      GLN  21  -8.692  -5.239  -3.192
  163    H    ARG  22           H        ARG  22  -4.285  -6.007  -7.742
  164    HA   ARG  22           HA       ARG  22  -4.955  -8.371  -9.012
  165   1HB   ARG  22          1HB       ARG  22  -3.393  -5.954  -9.855
  166   2HB   ARG  22          2HB       ARG  22  -3.513  -7.331 -10.941
  167   1HG   ARG  22          1HG       ARG  22  -6.122  -6.910 -10.154
  168   2HG   ARG  22          2HG       ARG  22  -5.464  -5.280 -10.321
  169   1HD   ARG  22          1HD       ARG  22  -4.518  -6.161 -12.566
  170   2HD   ARG  22          2HD       ARG  22  -5.717  -7.439 -12.380
  171    HE   ARG  22           HE       ARG  22  -6.202  -4.735 -13.141
  172   1HH1  ARG  22          1HH1      ARG  22  -7.570  -7.468 -11.474
  173   2HH1  ARG  22          2HH1      ARG  22  -9.209  -6.987 -11.757
  174   1HH2  ARG  22          1HH2      ARG  22  -8.356  -4.089 -13.520
  175   2HH2  ARG  22          2HH2      ARG  22  -9.656  -5.064 -12.922
  176    H    ARG  23           H        ARG  23  -1.700  -7.047  -8.473
  177    HA   ARG  23           HA       ARG  23  -0.268  -9.209  -9.511
  178   1HB   ARG  23          1HB       ARG  23   0.331  -6.820  -8.010
  179   2HB   ARG  23          2HB       ARG  23   1.367  -8.174  -7.562
  180   1HG   ARG  23          1HG       ARG  23   2.248  -6.803  -9.408
  181   2HG   ARG  23          2HG       ARG  23   2.049  -8.490  -9.829
  182   1HD   ARG  23          1HD       ARG  23   0.417  -8.054 -11.332
  183   2HD   ARG  23          2HD       ARG  23  -0.245  -6.722 -10.386
  184    HE   ARG  23           HE       ARG  23   2.259  -5.975 -11.428
  185   1HH1  ARG  23          1HH1      ARG  23  -1.010  -6.603 -12.452
  186   2HH1  ARG  23          2HH1      ARG  23  -0.927  -5.533 -13.811
  187   1HH2  ARG  23          1HH2      ARG  23   2.379  -4.565 -13.213
  188   2HH2  ARG  23          2HH2      ARG  23   1.000  -4.373 -14.244
  189    H    VAL  24           H        VAL  24  -0.510  -8.391  -6.050
  190    HA   VAL  24           HA       VAL  24   0.459 -10.738  -5.009
  191    HB   VAL  24           HB       VAL  24  -1.769  -9.081  -3.818
  192   1HG1  VAL  24          1HG1      VAL  24  -1.382 -11.361  -2.828
  193   2HG1  VAL  24          2HG1      VAL  24  -1.179 -10.010  -1.711
  194   3HG1  VAL  24          3HG1      VAL  24   0.237 -10.815  -2.390
  195   1HG2  VAL  24          1HG2      VAL  24   0.997  -8.485  -4.304
  196   2HG2  VAL  24          2HG2      VAL  24   0.677  -8.521  -2.569
  197   3HG2  VAL  24          3HG2      VAL  24  -0.263  -7.460  -3.617
  198    H    ALA  25           H        ALA  25  -2.730 -10.093  -6.288
  199    HA   ALA  25           HA       ALA  25  -4.139 -12.256  -5.237
  200   1HB   ALA  25          1HB       ALA  25  -5.588 -12.018  -7.263
  201   2HB   ALA  25          2HB       ALA  25  -4.444 -10.818  -7.864
  202   3HB   ALA  25          3HB       ALA  25  -5.323 -10.525  -6.364
  203    H    ASP  26           H        ASP  26  -2.579 -12.049  -8.444
  204    HA   ASP  26           HA       ASP  26  -2.923 -14.791  -9.039
  205   1HB   ASP  26          1HB       ASP  26  -1.121 -12.654 -10.170
  206   2HB   ASP  26          2HB       ASP  26  -1.099 -14.307 -10.776
  207    H    GLY  27           H        GLY  27  -0.001 -12.982  -8.071
  208   1HA   GLY  27          1HA       GLY  27   1.065 -14.415  -6.128
  209   2HA   GLY  27          2HA       GLY  27   1.341 -15.510  -7.474
  210    H    GLU  28           H        GLU  28   1.533 -11.972  -7.434
  211    HA   GLU  28           HA       GLU  28   4.283 -12.195  -8.386
  212   1HB   GLU  28          1HB       GLU  28   2.391  -9.842  -8.477
  213   2HB   GLU  28          2HB       GLU  28   3.987  -9.910  -9.207
  214   1HG   GLU  28          1HG       GLU  28   2.704 -12.115 -10.253
  215   2HG   GLU  28          2HG       GLU  28   1.448 -10.879 -10.201
  216    H    ASP  29           H        ASP  29   5.951 -10.952  -7.498
  217    HA   ASP  29           HA       ASP  29   5.976 -10.665  -4.721
  218   1HB   ASP  29          1HB       ASP  29   8.035  -9.176  -5.222
  219   2HB   ASP  29          2HB       ASP  29   8.088 -10.868  -5.713
  220    HA   PRO  30           HA       PRO  30   3.430  -6.921  -4.573
  221   1HB   PRO  30          1HB       PRO  30   4.182  -7.047  -1.719
  222   2HB   PRO  30          2HB       PRO  30   2.582  -6.967  -2.460
  223   1HG   PRO  30          1HG       PRO  30   3.494  -9.230  -1.348
  224   2HG   PRO  30          2HG       PRO  30   2.467  -9.247  -2.792
  225   1HD   PRO  30          1HD       PRO  30   5.414  -9.658  -2.555
  226   2HD   PRO  30          2HD       PRO  30   4.247 -10.449  -3.634
  227    H    LYS  31           H        LYS  31   6.486  -7.328  -2.808
  228    HA   LYS  31           HA       LYS  31   7.144  -4.713  -2.289
  229   1HB   LYS  31          1HB       LYS  31   8.514  -7.202  -2.372
  230   2HB   LYS  31          2HB       LYS  31   9.506  -6.012  -3.202
  231   1HG   LYS  31          1HG       LYS  31   9.833  -4.757  -1.316
  232   2HG   LYS  31          2HG       LYS  31   8.330  -5.298  -0.564
  233   1HD   LYS  31          1HD       LYS  31   9.258  -7.361   0.066
  234   2HD   LYS  31          2HD       LYS  31  10.626  -7.177  -1.033
  235   1HE   LYS  31          1HE       LYS  31  10.178  -5.275   1.242
  236   2HE   LYS  31          2HE       LYS  31  11.025  -6.803   1.477
  237   1HZ   LYS  31          1HZ       LYS  31  12.441  -6.000  -0.500
  238   2HZ   LYS  31          2HZ       LYS  31  12.723  -5.332   1.028
  239   3HZ   LYS  31          3HZ       LYS  31  11.835  -4.466  -0.123
  240    H    ASP  32           H        ASP  32   7.536  -6.505  -5.308
  241    HA   ASP  32           HA       ASP  32   8.836  -4.433  -6.747
  242   1HB   ASP  32          1HB       ASP  32   8.116  -7.062  -7.272
  243   2HB   ASP  32          2HB       ASP  32   7.087  -6.132  -8.357
  244    H    VAL  33           H        VAL  33   5.465  -5.369  -6.279
  245    HA   VAL  33           HA       VAL  33   4.254  -3.532  -7.999
  246    HB   VAL  33           HB       VAL  33   3.181  -4.507  -5.348
  247   1HG1  VAL  33          1HG1      VAL  33   1.257  -3.469  -5.804
  248   2HG1  VAL  33          2HG1      VAL  33   1.293  -3.966  -7.497
  249   3HG1  VAL  33          3HG1      VAL  33   2.183  -2.533  -6.979
  250   1HG2  VAL  33          1HG2      VAL  33   1.918  -6.096  -6.950
  251   2HG2  VAL  33          2HG2      VAL  33   3.589  -6.467  -6.519
  252   3HG2  VAL  33          3HG2      VAL  33   3.223  -5.729  -8.078
  253    H    LEU  34           H        LEU  34   5.275  -3.227  -4.617
  254    HA   LEU  34           HA       LEU  34   4.279  -0.721  -4.018
  255   1HB   LEU  34          1HB       LEU  34   6.740  -2.189  -3.168
  256   2HB   LEU  34          2HB       LEU  34   6.503  -0.534  -2.658
  257    HG   LEU  34           HG       LEU  34   5.760  -2.349  -1.037
  258   1HD1  LEU  34          1HD1      LEU  34   4.908   0.185  -1.417
  259   2HD1  LEU  34          2HD1      LEU  34   4.376  -0.851  -0.093
  260   3HD1  LEU  34          3HD1      LEU  34   3.385  -0.695  -1.543
  261   1HD2  LEU  34          1HD2      LEU  34   3.700  -2.671  -3.191
  262   2HD2  LEU  34          2HD2      LEU  34   3.359  -3.075  -1.512
  263   3HD2  LEU  34          3HD2      LEU  34   4.651  -3.912  -2.374
  264    H    ASP  35           H        ASP  35   7.226  -1.582  -5.758
  265    HA   ASP  35           HA       ASP  35   8.273   0.991  -6.062
  266   1HB   ASP  35          1HB       ASP  35   9.164  -1.433  -6.763
  267   2HB   ASP  35          2HB       ASP  35   8.531  -0.928  -8.327
  268    H    ASP  36           H        ASP  36   5.740  -0.733  -7.730
  269    HA   ASP  36           HA       ASP  36   5.425   1.310  -9.763
  270   1HB   ASP  36          1HB       ASP  36   4.489  -1.409  -9.328
  271   2HB   ASP  36          2HB       ASP  36   3.178  -0.346  -9.833
  272    H    LEU  37           H        LEU  37   3.699   0.155  -6.899
  273    HA   LEU  37           HA       LEU  37   1.388   1.626  -6.974
  274   1HB   LEU  37          1HB       LEU  37   3.173   0.768  -4.731
  275   2HB   LEU  37          2HB       LEU  37   1.786   1.779  -4.388
  276    HG   LEU  37           HG       LEU  37   1.172  -0.594  -6.009
  277   1HD1  LEU  37          1HD1      LEU  37   1.157  -1.902  -3.736
  278   2HD1  LEU  37          2HD1      LEU  37   2.469  -0.799  -3.337
  279   3HD1  LEU  37          3HD1      LEU  37   2.605  -1.858  -4.740
  280   1HD2  LEU  37          1HD2      LEU  37  -0.201  -0.227  -3.480
  281   2HD2  LEU  37          2HD2      LEU  37  -0.844  -0.264  -5.122
  282   3HD2  LEU  37          3HD2      LEU  37  -0.199   1.239  -4.461
  283    H    GLY  38           H        GLY  38   4.619   2.690  -6.094
  284   1HA   GLY  38          1HA       GLY  38   5.527   4.781  -5.904
  285   2HA   GLY  38          2HA       GLY  38   4.112   5.392  -6.748
  286    H    LEU  39           H        LEU  39   4.964   4.058  -3.556
  287    HA   LEU  39           HA       LEU  39   3.152   6.030  -2.346
  288   1HB   LEU  39          1HB       LEU  39   4.298   3.693  -0.869
  289   2HB   LEU  39          2HB       LEU  39   2.807   4.565  -0.572
  290    HG   LEU  39           HG       LEU  39   2.110   3.570  -2.898
  291   1HD1  LEU  39          1HD1      LEU  39   3.174   1.100  -2.677
  292   2HD1  LEU  39          2HD1      LEU  39   4.555   2.093  -2.207
  293   3HD1  LEU  39          3HD1      LEU  39   3.780   2.346  -3.771
  294   1HD2  LEU  39          1HD2      LEU  39   1.394   3.063  -0.394
  295   2HD2  LEU  39          2HD2      LEU  39   2.148   1.515  -0.772
  296   3HD2  LEU  39          3HD2      LEU  39   0.811   2.106  -1.755
  297    H    LYS  40           H        LYS  40   6.450   5.044  -2.584
  298    HA   LYS  40           HA       LYS  40   8.386   5.869  -1.725
  299   1HB   LYS  40          1HB       LYS  40   6.588   8.114  -1.974
  300   2HB   LYS  40          2HB       LYS  40   7.672   8.347  -0.610
  301   1HG   LYS  40          1HG       LYS  40   8.613   9.329  -2.602
  302   2HG   LYS  40          2HG       LYS  40   9.593   7.955  -2.087
  303   1HD   LYS  40          1HD       LYS  40   7.823   6.760  -3.777
  304   2HD   LYS  40          2HD       LYS  40   8.024   8.341  -4.535
  305   1HE   LYS  40          1HE       LYS  40  10.206   7.974  -5.049
  306   2HE   LYS  40          2HE       LYS  40  10.481   6.961  -3.631
  307   1HZ   LYS  40          1HZ       LYS  40   9.983   5.116  -4.762
  308   2HZ   LYS  40          2HZ       LYS  40  10.235   6.048  -6.152
  309   3HZ   LYS  40          3HZ       LYS  40   8.667   5.819  -5.559
  310    H    ARG  41           H        ARG  41   9.541   6.279   0.246
  311    HA   ARG  41           HA       ARG  41   9.988   5.872   2.439
  312   1HB   ARG  41          1HB       ARG  41   7.191   6.946   2.840
  313   2HB   ARG  41          2HB       ARG  41   8.421   6.794   4.086
  314   1HG   ARG  41          1HG       ARG  41   9.674   8.279   2.131
  315   2HG   ARG  41          2HG       ARG  41   8.015   8.882   2.116
  316   1HD   ARG  41          1HD       ARG  41   8.178   9.778   4.186
  317   2HD   ARG  41          2HD       ARG  41   9.228   8.490   4.777
  318    HE   ARG  41           HE       ARG  41  10.664  10.035   2.936
  319   1HH1  ARG  41          1HH1      ARG  41   9.260  10.307   6.113
  320   2HH1  ARG  41          2HH1      ARG  41  10.406  11.484   6.660
  321   1HH2  ARG  41          1HH2      ARG  41  12.178  11.585   3.647
  322   2HH2  ARG  41          2HH2      ARG  41  12.065  12.210   5.258
  323    H    TYR  42           H        TYR  42  10.197   3.798   2.956
  324    HA   TYR  42           HA       TYR  42   8.292   1.806   2.543
  325   1HB   TYR  42          1HB       TYR  42   9.731   0.357   3.836
  326   2HB   TYR  42          2HB       TYR  42  10.739   1.426   2.865
  327    HD1  TYR  42           HD1      TYR  42  12.256   2.946   3.883
  328    HD2  TYR  42           HD2      TYR  42   9.488   0.782   6.283
  329    HE1  TYR  42           HE1      TYR  42  13.461   3.657   5.905
  330    HE2  TYR  42           HE2      TYR  42  10.687   1.487   8.311
  331    HH   TYR  42           HH       TYR  42  13.022   3.947   8.306
  332    H    CYS  43           H        CYS  43   8.534   4.115   5.082
  333    HA   CYS  43           HA       CYS  43   7.419   2.856   7.255
  334   1HB   CYS  43          1HB       CYS  43   6.508   5.043   7.912
  335   2HB   CYS  43          2HB       CYS  43   8.155   5.187   7.310
  336    H    CYS  44           H        CYS  44   5.917   3.736   4.254
  337    HA   CYS  44           HA       CYS  44   3.239   3.135   5.222
  338   1HB   CYS  44          1HB       CYS  44   3.842   3.520   2.319
  339   2HB   CYS  44          2HB       CYS  44   2.424   4.019   3.242
  340    H    ARG  45           H        ARG  45   5.359   1.946   2.614
  341    HA   ARG  45           HA       ARG  45   3.976  -0.240   1.793
  342   1HB   ARG  45          1HB       ARG  45   6.946  -0.417   2.234
  343   2HB   ARG  45          2HB       ARG  45   5.988  -1.150   0.958
  344   1HG   ARG  45          1HG       ARG  45   5.494   1.191   0.156
  345   2HG   ARG  45          2HG       ARG  45   6.746   1.735   1.276
  346   1HD   ARG  45          1HD       ARG  45   8.422   0.506   0.144
  347   2HD   ARG  45          2HD       ARG  45   7.228  -0.382  -0.803
  348    HE   ARG  45           HE       ARG  45   6.999   2.383  -1.313
  349   1HH1  ARG  45          1HH1      ARG  45   9.078  -0.337  -1.949
  350   2HH1  ARG  45          2HH1      ARG  45   9.677   0.306  -3.441
  351   1HH2  ARG  45          1HH2      ARG  45   7.780   3.238  -3.276
  352   2HH2  ARG  45          2HH2      ARG  45   8.939   2.339  -4.196
  353    H    ARG  46           H        ARG  46   6.436  -0.352   4.389
  354    HA   ARG  46           HA       ARG  46   6.306  -2.943   5.147
  355   1HB   ARG  46          1HB       ARG  46   6.904  -2.270   7.401
  356   2HB   ARG  46          2HB       ARG  46   7.740  -1.257   6.233
  357   1HG   ARG  46          1HG       ARG  46   5.875   0.430   6.592
  358   2HG   ARG  46          2HG       ARG  46   5.410  -0.549   7.985
  359   1HD   ARG  46          1HD       ARG  46   7.885  -0.331   8.678
  360   2HD   ARG  46          2HD       ARG  46   7.932   1.004   7.530
  361    HE   ARG  46           HE       ARG  46   5.773   1.550   9.095
  362   1HH1  ARG  46          1HH1      ARG  46   9.137   0.888   9.708
  363   2HH1  ARG  46          2HH1      ARG  46   9.202   1.861  11.140
  364   1HH2  ARG  46          1HH2      ARG  46   5.848   2.833  10.981
  365   2HH2  ARG  46          2HH2      ARG  46   7.332   2.965  11.864
  366    H    MET  47           H        MET  47   3.947  -0.455   5.979
  367    HA   MET  47           HA       MET  47   2.376  -2.242   7.594
  368   1HB   MET  47          1HB       MET  47   1.899   0.542   6.538
  369   2HB   MET  47          2HB       MET  47   0.715  -0.325   7.506
  370   1HG   MET  47          1HG       MET  47   2.593  -0.563   9.233
  371   2HG   MET  47          2HG       MET  47   3.408   0.700   8.309
  372   1HE   MET  47          1HE       MET  47   0.198   2.958   8.018
  373   2HE   MET  47          2HE       MET  47   1.630   2.338   7.197
  374   3HE   MET  47          3HE       MET  47   1.788   3.640   8.372
  375    H    LEU  48           H        LEU  48   2.430  -1.139   4.289
  376    HA   LEU  48           HA       LEU  48  -0.181  -2.169   3.675
  377   1HB   LEU  48          1HB       LEU  48   1.955  -1.313   1.729
  378   2HB   LEU  48          2HB       LEU  48   0.232  -1.441   1.427
  379    HG   LEU  48           HG       LEU  48   1.175   0.443   3.534
  380   1HD1  LEU  48          1HD1      LEU  48   2.268   1.794   2.157
  381   2HD1  LEU  48          2HD1      LEU  48   0.915   1.793   1.028
  382   3HD1  LEU  48          3HD1      LEU  48   2.164   0.552   0.910
  383   1HD2  LEU  48          1HD2      LEU  48  -1.127   0.375   3.449
  384   2HD2  LEU  48          2HD2      LEU  48  -1.159   0.158   1.699
  385   3HD2  LEU  48          3HD2      LEU  48  -0.760   1.734   2.385
  386    H    ILE  49           H        ILE  49   3.007  -2.917   2.233
  387    HA   ILE  49           HA       ILE  49   2.398  -5.168   0.858
  388    HB   ILE  49           HB       ILE  49   4.738  -6.042   1.562
  389   1HG1  ILE  49          1HG1      ILE  49   5.437  -3.278   2.280
  390   2HG1  ILE  49          2HG1      ILE  49   4.494  -4.131   3.505
  391   1HG2  ILE  49          1HG2      ILE  49   5.805  -4.390   0.063
  392   2HG2  ILE  49          2HG2      ILE  49   4.333  -3.421   0.134
  393   3HG2  ILE  49          3HG2      ILE  49   4.294  -5.035  -0.576
  394   1HD1  ILE  49          1HD1      ILE  49   7.272  -4.430   2.760
  395   2HD1  ILE  49          2HD1      ILE  49   6.409  -5.968   2.775
  396   3HD1  ILE  49          3HD1      ILE  49   6.424  -4.952   4.216
  397    H    SER  50           H        SER  50   2.648  -4.910   4.318
  398    HA   SER  50           HA       SER  50   2.573  -7.768   4.724
  399   1HB   SER  50          1HB       SER  50   3.676  -5.904   6.223
  400   2HB   SER  50          2HB       SER  50   2.061  -5.803   6.925
  401    HG   SER  50           HG       SER  50   3.509  -7.320   7.968
  402    H    HIS  51           H        HIS  51   0.454  -5.183   5.983
  403    HA   HIS  51           HA       HIS  51  -1.717  -7.087   6.175
  404   1HB   HIS  51          1HB       HIS  51  -1.308  -5.545   8.022
  405   2HB   HIS  51          2HB       HIS  51  -1.562  -4.168   6.957
  406    HD2  HIS  51           HD2      HIS  51  -4.152  -3.407   6.590
  407    HE1  HIS  51           HE1      HIS  51  -5.866  -6.547   8.854
  408    HE2  HIS  51           HE2      HIS  51  -6.321  -4.365   7.645
  409    H    VAL  52           H        VAL  52  -1.922  -3.705   5.123
  410    HA   VAL  52           HA       VAL  52  -3.479  -2.756   3.724
  411    HB   VAL  52           HB       VAL  52  -1.318  -3.077   2.481
  412   1HG1  VAL  52          1HG1      VAL  52  -2.781  -5.090   0.827
  413   2HG1  VAL  52          2HG1      VAL  52  -1.752  -5.574   2.175
  414   3HG1  VAL  52          3HG1      VAL  52  -1.066  -4.677   0.819
  415   1HG2  VAL  52          1HG2      VAL  52  -2.899  -1.517   1.675
  416   2HG2  VAL  52          2HG2      VAL  52  -3.922  -2.797   1.016
  417   3HG2  VAL  52          3HG2      VAL  52  -2.352  -2.459   0.285
  418    H    GLU  53           H        GLU  53  -5.548  -3.310   4.060
  419    HA   GLU  53           HA       GLU  53  -6.667  -5.840   3.596
  420   1HB   GLU  53          1HB       GLU  53  -7.825  -3.099   3.978
  421   2HB   GLU  53          2HB       GLU  53  -8.870  -4.459   3.591
  422   1HG   GLU  53          1HG       GLU  53  -8.529  -5.477   5.606
  423   2HG   GLU  53          2HG       GLU  53  -6.951  -4.727   5.842
  424    H    THR  54           H        THR  54  -7.363  -2.864   1.759
  425    HA   THR  54           HA       THR  54  -7.866  -2.513  -0.437
  426    HB   THR  54           HB       THR  54  -6.856  -3.760  -2.116
  427    HG1  THR  54           HG1      THR  54  -6.276  -6.004  -1.775
  428   1HG2  THR  54          1HG2      THR  54  -5.235  -4.241   0.379
  429   2HG2  THR  54          2HG2      THR  54  -5.117  -2.871  -0.726
  430   3HG2  THR  54          3HG2      THR  54  -4.629  -4.480  -1.260
  431    H    TRP  55           H        TRP  55  -9.734  -2.688  -1.562
  432    HA   TRP  55           HA       TRP  55 -11.205  -5.122  -1.780
  433   1HB   TRP  55          1HB       TRP  55 -11.663  -3.561   0.550
  434   2HB   TRP  55          2HB       TRP  55 -13.074  -3.384  -0.488
  435    HD1  TRP  55           HD1      TRP  55 -11.807  -5.547   2.147
  436    HE1  TRP  55           HE1      TRP  55 -13.048  -7.801   2.190
  437    HE3  TRP  55           HE3      TRP  55 -14.094  -5.302  -2.419
  438    HZ2  TRP  55           HZ2      TRP  55 -14.769  -9.280   0.511
  439    HZ3  TRP  55           HZ3      TRP  55 -15.520  -7.178  -3.124
  440    HH2  TRP  55           HH2      TRP  55 -15.850  -9.125  -1.689
  Start of MODEL   20
    1    H    MET   1           H        MET   1  -6.956   1.456   0.262
    2    HA   MET   1           HA       MET   1  -5.345   2.081   1.750
    3   1HB   MET   1          1HB       MET   1  -4.645   4.323   1.577
    4   2HB   MET   1          2HB       MET   1  -5.420   3.967   0.043
    5   1HG   MET   1          1HG       MET   1  -7.279   5.273   0.530
    6   2HG   MET   1          2HG       MET   1  -6.942   5.282   2.259
    7   1HE   MET   1          1HE       MET   1  -3.499   6.023   1.774
    8   2HE   MET   1          2HE       MET   1  -4.620   6.129   3.130
    9   3HE   MET   1          3HE       MET   1  -3.839   7.587   2.517
   10    H    ILE   2           H        ILE   2  -5.179   4.255   3.506
   11    HA   ILE   2           HA       ILE   2  -7.335   3.637   5.422
   12    HB   ILE   2           HB       ILE   2  -4.545   4.404   6.229
   13   1HG1  ILE   2          1HG1      ILE   2  -5.628   1.626   5.725
   14   2HG1  ILE   2          2HG1      ILE   2  -4.296   2.406   4.877
   15   1HG2  ILE   2          1HG2      ILE   2  -6.715   2.906   7.679
   16   2HG2  ILE   2          2HG2      ILE   2  -6.303   4.605   7.911
   17   3HG2  ILE   2          3HG2      ILE   2  -5.137   3.350   8.332
   18   1HD1  ILE   2          1HD1      ILE   2  -3.801   2.356   7.706
   19   2HD1  ILE   2          2HD1      ILE   2  -2.842   1.695   6.381
   20   3HD1  ILE   2          3HD1      ILE   2  -4.141   0.737   7.094
   21    HA   PRO   3           HA       PRO   3  -7.896   8.090   5.539
   22   1HB   PRO   3          1HB       PRO   3  -9.698   8.237   7.467
   23   2HB   PRO   3          2HB       PRO   3 -10.104   7.348   5.987
   24   1HG   PRO   3          1HG       PRO   3  -9.000   6.263   8.585
   25   2HG   PRO   3          2HG       PRO   3 -10.491   5.764   7.738
   26   1HD   PRO   3          1HD       PRO   3  -8.176   4.434   7.411
   27   2HD   PRO   3          2HD       PRO   3  -9.301   4.660   6.058
   28    H    VAL   4           H        VAL   4  -5.509   7.389   6.593
   29    HA   VAL   4           HA       VAL   4  -4.563   9.168   8.319
   30    HB   VAL   4           HB       VAL   4  -6.304   7.282   9.806
   31   1HG1  VAL   4          1HG1      VAL   4  -4.001   6.579  10.551
   32   2HG1  VAL   4          2HG1      VAL   4  -5.012   7.244  11.832
   33   3HG1  VAL   4          3HG1      VAL   4  -3.742   8.231  11.112
   34   1HG2  VAL   4          1HG2      VAL   4  -7.025   9.182  10.737
   35   2HG2  VAL   4          2HG2      VAL   4  -6.066  10.005   9.509
   36   3HG2  VAL   4          3HG2      VAL   4  -5.390   9.727  11.114
   37    H    ARG   5           H        ARG   5  -2.569   8.309   9.567
   38    HA   ARG   5           HA       ARG   5  -0.713   6.968   9.728
   39   1HB   ARG   5          1HB       ARG   5  -2.668   5.110   8.992
   40   2HB   ARG   5          2HB       ARG   5  -1.379   4.884   7.815
   41   1HG   ARG   5          1HG       ARG   5  -0.963   3.394   9.608
   42   2HG   ARG   5          2HG       ARG   5   0.213   4.702   9.749
   43   1HD   ARG   5          1HD       ARG   5  -0.567   5.325  11.742
   44   2HD   ARG   5          2HD       ARG   5  -2.241   5.263  11.191
   45    HE   ARG   5           HE       ARG   5  -2.429   3.147  12.063
   46   1HH1  ARG   5          1HH1      ARG   5   0.920   4.102  12.023
   47   2HH1  ARG   5          2HH1      ARG   5   1.449   2.760  12.982
   48   1HH2  ARG   5          1HH2      ARG   5  -1.743   1.377  13.327
   49   2HH2  ARG   5          2HH2      ARG   5  -0.066   1.212  13.723
   50    H    CYS   6           H        CYS   6   0.560   5.471   7.752
   51    HA   CYS   6           HA       CYS   6   1.032   7.509   5.687
   52   1HB   CYS   6          1HB       CYS   6   2.819   6.357   7.544
   53   2HB   CYS   6          2HB       CYS   6   3.231   5.675   5.973
   54    H    LEU   7           H        LEU   7  -0.203   6.796   4.063
   55    HA   LEU   7           HA       LEU   7   0.594   4.273   2.822
   56   1HB   LEU   7          1HB       LEU   7  -2.244   5.249   3.103
   57   2HB   LEU   7          2HB       LEU   7  -1.752   3.846   2.179
   58    HG   LEU   7           HG       LEU   7  -2.550   2.835   4.063
   59   1HD1  LEU   7          1HD1      LEU   7  -0.801   1.743   4.870
   60   2HD1  LEU   7          2HD1      LEU   7  -0.128   3.196   5.606
   61   3HD1  LEU   7          3HD1      LEU   7   0.204   2.825   3.916
   62   1HD2  LEU   7          1HD2      LEU   7  -3.078   5.037   5.107
   63   2HD2  LEU   7          2HD2      LEU   7  -1.458   5.025   5.809
   64   3HD2  LEU   7          3HD2      LEU   7  -2.617   3.769   6.243
   65    H    SER   8           H        SER   8   1.546   6.789   2.246
   66    HA   SER   8           HA       SER   8   1.037   7.013  -0.517
   67   1HB   SER   8          1HB       SER   8  -0.947   8.233   0.923
   68   2HB   SER   8          2HB       SER   8   0.176   9.569   0.668
   69    HG   SER   8           HG       SER   8  -0.858   9.659  -1.177
   70    H    CYS   9           H        CYS   9   1.706   9.394   2.053
   71    HA   CYS   9           HA       CYS   9   3.562  10.625   2.538
   72   1HB   CYS   9          1HB       CYS   9   4.613   8.194   1.409
   73   2HB   CYS   9          2HB       CYS   9   5.605   9.558   0.910
   74    H    GLY  10           H        GLY  10   1.805  11.046   0.141
   75   1HA   GLY  10          1HA       GLY  10   2.049  13.264  -0.958
   76   2HA   GLY  10          2HA       GLY  10   3.668  12.742  -1.403
   77    H    LYS  11           H        LYS  11   2.394   9.965  -1.835
   78    HA   LYS  11           HA       LYS  11   1.212  10.553  -4.467
   79   1HB   LYS  11          1HB       LYS  11   3.604   9.073  -3.775
   80   2HB   LYS  11          2HB       LYS  11   2.478   8.076  -4.688
   81   1HG   LYS  11          1HG       LYS  11   3.982   9.133  -6.214
   82   2HG   LYS  11          2HG       LYS  11   2.390   9.876  -6.404
   83   1HD   LYS  11          1HD       LYS  11   3.479  11.449  -4.491
   84   2HD   LYS  11          2HD       LYS  11   4.912  11.029  -5.424
   85   1HE   LYS  11          1HE       LYS  11   2.569  11.786  -7.025
   86   2HE   LYS  11          2HE       LYS  11   3.227  13.076  -6.018
   87   1HZ   LYS  11          1HZ       LYS  11   4.135  12.527  -8.442
   88   2HZ   LYS  11          2HZ       LYS  11   5.153  11.518  -7.543
   89   3HZ   LYS  11          3HZ       LYS  11   5.112  13.178  -7.224
   90    HA   PRO  12           HA       PRO  12  -2.249   8.385  -2.425
   91   1HB   PRO  12          1HB       PRO  12  -2.900   8.362  -5.347
   92   2HB   PRO  12          2HB       PRO  12  -3.956   8.676  -3.969
   93   1HG   PRO  12          1HG       PRO  12  -2.968  10.667  -5.468
   94   2HG   PRO  12          2HG       PRO  12  -3.212  10.843  -3.722
   95   1HD   PRO  12          1HD       PRO  12  -0.702  10.627  -5.248
   96   2HD   PRO  12          2HD       PRO  12  -0.988  11.268  -3.621
   97    H    VAL  13           H        VAL  13  -2.444   6.256  -2.038
   98    HA   VAL  13           HA       VAL  13  -1.095   4.401  -3.879
   99    HB   VAL  13           HB       VAL  13  -0.779   2.896  -2.048
  100   1HG1  VAL  13          1HG1      VAL  13   0.958   4.430  -2.013
  101   2HG1  VAL  13          2HG1      VAL  13   0.361   4.499  -0.354
  102   3HG1  VAL  13          3HG1      VAL  13  -0.087   5.756  -1.507
  103   1HG2  VAL  13          1HG2      VAL  13  -2.503   4.775  -0.438
  104   2HG2  VAL  13          2HG2      VAL  13  -1.570   3.440   0.241
  105   3HG2  VAL  13          3HG2      VAL  13  -2.880   3.116  -0.895
  106    H    SER  14           H        SER  14  -4.124   5.185  -2.399
  107    HA   SER  14           HA       SER  14  -5.558   2.858  -2.504
  108   1HB   SER  14          1HB       SER  14  -6.824   5.380  -3.521
  109   2HB   SER  14          2HB       SER  14  -7.486   4.160  -2.428
  110    HG   SER  14           HG       SER  14  -6.326   6.426  -1.780
  111    H    ALA  15           H        ALA  15  -5.169   5.172  -5.189
  112    HA   ALA  15           HA       ALA  15  -6.650   3.715  -7.072
  113   1HB   ALA  15          1HB       ALA  15  -5.663   5.133  -8.738
  114   2HB   ALA  15          2HB       ALA  15  -4.345   5.568  -7.651
  115   3HB   ALA  15          3HB       ALA  15  -5.989   6.097  -7.298
  116    H    TYR  16           H        TYR  16  -3.351   3.402  -5.986
  117    HA   TYR  16           HA       TYR  16  -2.623   1.642  -8.163
  118   1HB   TYR  16          1HB       TYR  16  -1.228   2.943  -5.885
  119   2HB   TYR  16          2HB       TYR  16  -0.532   1.454  -6.510
  120    HD1  TYR  16           HD1      TYR  16  -1.000   4.987  -7.073
  121    HD2  TYR  16           HD2      TYR  16   0.120   1.326  -8.932
  122    HE1  TYR  16           HE1      TYR  16   0.050   6.246  -8.906
  123    HE2  TYR  16           HE2      TYR  16   1.172   2.576 -10.771
  124    HH   TYR  16           HH       TYR  16   0.994   4.812 -11.818
  125    H    PHE  17           H        PHE  17  -3.803   1.387  -4.917
  126    HA   PHE  17           HA       PHE  17  -2.952  -1.053  -4.031
  127   1HB   PHE  17          1HB       PHE  17  -5.521   0.423  -3.768
  128   2HB   PHE  17          2HB       PHE  17  -5.520  -1.268  -3.292
  129    HD1  PHE  17           HD1      PHE  17  -6.153  -0.379  -1.046
  130    HD2  PHE  17           HD2      PHE  17  -2.375   0.432  -2.835
  131    HE1  PHE  17           HE1      PHE  17  -5.247   0.231   1.155
  132    HE2  PHE  17           HE2      PHE  17  -1.464   1.045  -0.632
  133    HZ   PHE  17           HZ       PHE  17  -2.902   0.946   1.365
  134    H    ASN  18           H        ASN  18  -5.099  -0.409  -6.695
  135    HA   ASN  18           HA       ASN  18  -6.225  -2.965  -7.011
  136   1HB   ASN  18          1HB       ASN  18  -5.760  -0.627  -8.821
  137   2HB   ASN  18          2HB       ASN  18  -6.247  -2.164  -9.530
  138   1HD2  ASN  18          1HD2      ASN  18  -8.207  -3.157  -8.662
  139   2HD2  ASN  18          2HD2      ASN  18  -9.500  -2.122  -8.149
  140    H    GLU  19           H        GLU  19  -3.202  -1.548  -8.141
  141    HA   GLU  19           HA       GLU  19  -2.373  -3.651  -9.811
  142   1HB   GLU  19          1HB       GLU  19  -1.371  -1.207  -9.201
  143   2HB   GLU  19          2HB       GLU  19  -0.283  -2.224  -8.271
  144   1HG   GLU  19          1HG       GLU  19   0.864  -2.150 -10.219
  145   2HG   GLU  19          2HG       GLU  19  -0.153  -3.550 -10.554
  146    H    TYR  20           H        TYR  20  -1.628  -2.970  -6.404
  147    HA   TYR  20           HA       TYR  20  -0.086  -5.226  -5.853
  148   1HB   TYR  20          1HB       TYR  20  -0.213  -3.472  -4.238
  149   2HB   TYR  20          2HB       TYR  20  -1.959  -3.615  -4.114
  150    HD1  TYR  20           HD1      TYR  20   1.231  -4.816  -2.917
  151    HD2  TYR  20           HD2      TYR  20  -2.949  -5.601  -2.972
  152    HE1  TYR  20           HE1      TYR  20   1.499  -6.339  -1.003
  153    HE2  TYR  20           HE2      TYR  20  -2.696  -7.127  -1.060
  154    HH   TYR  20           HH       TYR  20   0.261  -8.309  -0.030
  155    H    GLN  21           H        GLN  21  -3.587  -4.755  -5.587
  156    HA   GLN  21           HA       GLN  21  -4.264  -7.290  -4.628
  157   1HB   GLN  21          1HB       GLN  21  -5.806  -5.333  -4.755
  158   2HB   GLN  21          2HB       GLN  21  -5.903  -5.566  -6.496
  159   1HG   GLN  21          1HG       GLN  21  -7.319  -7.291  -6.321
  160   2HG   GLN  21          2HG       GLN  21  -6.509  -7.949  -4.899
  161   1HE2  GLN  21          1HE2      GLN  21  -7.985  -4.783  -5.469
  162   2HE2  GLN  21          2HE2      GLN  21  -9.122  -4.886  -4.173
  163    H    ARG  22           H        ARG  22  -4.528  -6.142  -7.999
  164    HA   ARG  22           HA       ARG  22  -5.049  -8.568  -9.214
  165   1HB   ARG  22          1HB       ARG  22  -5.184  -6.503 -10.459
  166   2HB   ARG  22          2HB       ARG  22  -3.466  -6.205 -10.235
  167   1HG   ARG  22          1HG       ARG  22  -2.913  -8.090 -11.637
  168   2HG   ARG  22          2HG       ARG  22  -4.622  -8.506 -11.796
  169   1HD   ARG  22          1HD       ARG  22  -4.895  -6.124 -12.733
  170   2HD   ARG  22          2HD       ARG  22  -3.142  -6.159 -12.931
  171    HE   ARG  22           HE       ARG  22  -4.258  -8.475 -14.073
  172   1HH1  ARG  22          1HH1      ARG  22  -4.048  -5.040 -14.596
  173   2HH1  ARG  22          2HH1      ARG  22  -4.196  -5.161 -16.318
  174   1HH2  ARG  22          1HH2      ARG  22  -4.454  -8.649 -16.338
  175   2HH2  ARG  22          2HH2      ARG  22  -4.426  -7.215 -17.309
  176    H    ARG  23           H        ARG  23  -1.893  -7.062  -8.592
  177    HA   ARG  23           HA       ARG  23  -0.318  -9.123  -9.666
  178   1HB   ARG  23          1HB       ARG  23   0.129  -6.834  -7.813
  179   2HB   ARG  23          2HB       ARG  23   1.338  -8.109  -7.824
  180   1HG   ARG  23          1HG       ARG  23   1.747  -6.137  -9.348
  181   2HG   ARG  23          2HG       ARG  23   1.874  -7.739 -10.077
  182   1HD   ARG  23          1HD       ARG  23  -0.799  -6.518 -10.187
  183   2HD   ARG  23          2HD       ARG  23   0.446  -5.685 -11.118
  184    HE   ARG  23           HE       ARG  23   0.333  -8.540 -11.531
  185   1HH1  ARG  23          1HH1      ARG  23  -0.805  -5.415 -12.574
  186   2HH1  ARG  23          2HH1      ARG  23  -1.224  -5.958 -14.164
  187   1HH2  ARG  23          1HH2      ARG  23  -0.218  -9.260 -13.622
  188   2HH2  ARG  23          2HH2      ARG  23  -0.891  -8.141 -14.760
  189    H    VAL  24           H        VAL  24  -0.554  -8.359  -6.197
  190    HA   VAL  24           HA       VAL  24   0.413 -10.706  -5.184
  191    HB   VAL  24           HB       VAL  24  -1.862  -9.138  -3.963
  192   1HG1  VAL  24          1HG1      VAL  24  -0.271 -10.012  -1.926
  193   2HG1  VAL  24          2HG1      VAL  24  -0.197 -11.366  -3.054
  194   3HG1  VAL  24          3HG1      VAL  24  -1.758 -10.797  -2.460
  195   1HG2  VAL  24          1HG2      VAL  24   0.619  -8.465  -2.798
  196   2HG2  VAL  24          2HG2      VAL  24  -0.460  -7.434  -3.736
  197   3HG2  VAL  24          3HG2      VAL  24   0.815  -8.345  -4.547
  198    H    ALA  25           H        ALA  25  -2.730 -10.135  -6.569
  199    HA   ALA  25           HA       ALA  25  -4.152 -12.287  -5.499
  200   1HB   ALA  25          1HB       ALA  25  -4.405 -10.927  -8.172
  201   2HB   ALA  25          2HB       ALA  25  -5.321 -10.595  -6.703
  202   3HB   ALA  25          3HB       ALA  25  -5.551 -12.118  -7.560
  203    H    ASP  26           H        ASP  26  -2.404 -12.135  -8.615
  204    HA   ASP  26           HA       ASP  26  -2.715 -14.927  -9.109
  205   1HB   ASP  26          1HB       ASP  26  -2.144 -12.854 -10.715
  206   2HB   ASP  26          2HB       ASP  26  -0.510 -13.446 -10.439
  207    H    GLY  27           H        GLY  27   0.252 -13.027  -8.491
  208   1HA   GLY  27          1HA       GLY  27   1.309 -14.371  -6.392
  209   2HA   GLY  27          2HA       GLY  27   1.681 -15.426  -7.745
  210    H    GLU  28           H        GLU  28   1.636 -11.885  -7.793
  211    HA   GLU  28           HA       GLU  28   4.431 -11.940  -8.638
  212   1HB   GLU  28          1HB       GLU  28   2.350  -9.748  -8.735
  213   2HB   GLU  28          2HB       GLU  28   4.004  -9.577  -9.302
  214   1HG   GLU  28          1HG       GLU  28   2.997 -10.063 -11.266
  215   2HG   GLU  28          2HG       GLU  28   3.357 -11.701 -10.729
  216    H    ASP  29           H        ASP  29   6.055 -10.984  -7.522
  217    HA   ASP  29           HA       ASP  29   5.950 -10.687  -4.786
  218   1HB   ASP  29          1HB       ASP  29   8.037  -9.179  -5.175
  219   2HB   ASP  29          2HB       ASP  29   8.102 -10.871  -5.659
  220    HA   PRO  30           HA       PRO  30   3.418  -6.937  -4.605
  221   1HB   PRO  30          1HB       PRO  30   4.100  -7.151  -1.733
  222   2HB   PRO  30          2HB       PRO  30   2.522  -7.022  -2.512
  223   1HG   PRO  30          1HG       PRO  30   3.367  -9.334  -1.454
  224   2HG   PRO  30          2HG       PRO  30   2.386  -9.289  -2.930
  225   1HD   PRO  30          1HD       PRO  30   5.319  -9.752  -2.614
  226   2HD   PRO  30          2HD       PRO  30   4.175 -10.486  -3.757
  227    H    LYS  31           H        LYS  31   6.415  -7.361  -2.722
  228    HA   LYS  31           HA       LYS  31   7.064  -4.757  -2.171
  229   1HB   LYS  31          1HB       LYS  31   8.441  -7.247  -2.268
  230   2HB   LYS  31          2HB       LYS  31   9.450  -6.036  -3.043
  231   1HG   LYS  31          1HG       LYS  31   9.862  -4.950  -1.119
  232   2HG   LYS  31          2HG       LYS  31   8.232  -5.216  -0.495
  233   1HD   LYS  31          1HD       LYS  31   9.017  -7.698  -0.305
  234   2HD   LYS  31          2HD       LYS  31  10.634  -6.990  -0.354
  235   1HE   LYS  31          1HE       LYS  31  10.089  -5.586   1.563
  236   2HE   LYS  31          2HE       LYS  31   8.458  -6.256   1.602
  237   1HZ   LYS  31          1HZ       LYS  31  10.219  -8.401   1.645
  238   2HZ   LYS  31          2HZ       LYS  31   9.226  -7.856   2.902
  239   3HZ   LYS  31          3HZ       LYS  31  10.811  -7.280   2.766
  240    H    ASP  32           H        ASP  32   7.592  -6.520  -5.189
  241    HA   ASP  32           HA       ASP  32   8.896  -4.419  -6.572
  242   1HB   ASP  32          1HB       ASP  32   8.139  -7.068  -7.134
  243   2HB   ASP  32          2HB       ASP  32   7.297  -6.076  -8.321
  244    H    VAL  33           H        VAL  33   5.530  -5.383  -6.168
  245    HA   VAL  33           HA       VAL  33   4.359  -3.560  -7.950
  246    HB   VAL  33           HB       VAL  33   3.189  -4.569  -5.352
  247   1HG1  VAL  33          1HG1      VAL  33   1.379  -4.041  -7.567
  248   2HG1  VAL  33          2HG1      VAL  33   2.236  -2.598  -7.024
  249   3HG1  VAL  33          3HG1      VAL  33   1.279  -3.540  -5.879
  250   1HG2  VAL  33          1HG2      VAL  33   3.341  -5.764  -8.090
  251   2HG2  VAL  33          2HG2      VAL  33   2.011  -6.160  -7.002
  252   3HG2  VAL  33          3HG2      VAL  33   3.673  -6.510  -6.527
  253    H    LEU  34           H        LEU  34   5.180  -3.280  -4.503
  254    HA   LEU  34           HA       LEU  34   4.144  -0.794  -3.937
  255   1HB   LEU  34          1HB       LEU  34   6.593  -2.219  -2.983
  256   2HB   LEU  34          2HB       LEU  34   6.283  -0.579  -2.461
  257    HG   LEU  34           HG       LEU  34   5.504  -2.411  -0.893
  258   1HD1  LEU  34          1HD1      LEU  34   4.076  -0.922  -0.041
  259   2HD1  LEU  34          2HD1      LEU  34   3.051  -0.950  -1.476
  260   3HD1  LEU  34          3HD1      LEU  34   4.483   0.078  -1.436
  261   1HD2  LEU  34          1HD2      LEU  34   4.577  -4.010  -2.349
  262   2HD2  LEU  34          2HD2      LEU  34   3.571  -2.805  -3.156
  263   3HD2  LEU  34          3HD2      LEU  34   3.209  -3.292  -1.500
  264    H    ASP  35           H        ASP  35   7.116  -1.601  -5.636
  265    HA   ASP  35           HA       ASP  35   8.139   1.013  -5.834
  266   1HB   ASP  35          1HB       ASP  35   9.210  -1.317  -6.440
  267   2HB   ASP  35          2HB       ASP  35   8.546  -0.978  -8.036
  268    H    ASP  36           H        ASP  36   5.783  -0.798  -7.681
  269    HA   ASP  36           HA       ASP  36   5.505   1.234  -9.721
  270   1HB   ASP  36          1HB       ASP  36   4.608  -1.496  -9.312
  271   2HB   ASP  36          2HB       ASP  36   3.282  -0.466  -9.842
  272    H    LEU  37           H        LEU  37   3.684   0.067  -6.929
  273    HA   LEU  37           HA       LEU  37   1.351   1.483  -7.068
  274   1HB   LEU  37          1HB       LEU  37   3.108   0.643  -4.817
  275   2HB   LEU  37          2HB       LEU  37   1.746   1.685  -4.461
  276    HG   LEU  37           HG       LEU  37   1.064  -0.663  -6.092
  277   1HD1  LEU  37          1HD1      LEU  37   2.297  -0.943  -3.379
  278   2HD1  LEU  37          2HD1      LEU  37   2.564  -1.909  -4.831
  279   3HD1  LEU  37          3HD1      LEU  37   1.057  -2.067  -3.930
  280   1HD2  LEU  37          1HD2      LEU  37  -0.236  -0.241  -3.511
  281   2HD2  LEU  37          2HD2      LEU  37  -0.930  -0.369  -5.128
  282   3HD2  LEU  37          3HD2      LEU  37  -0.278   1.171  -4.569
  283    H    GLY  38           H        GLY  38   4.464   2.626  -5.818
  284   1HA   GLY  38          1HA       GLY  38   5.242   4.825  -6.268
  285   2HA   GLY  38          2HA       GLY  38   3.576   5.374  -6.350
  286    H    LEU  39           H        LEU  39   5.396   3.547  -3.895
  287    HA   LEU  39           HA       LEU  39   4.822   5.713  -1.987
  288   1HB   LEU  39          1HB       LEU  39   4.968   3.008  -0.848
  289   2HB   LEU  39          2HB       LEU  39   3.871   4.324  -0.482
  290    HG   LEU  39           HG       LEU  39   2.705   3.728  -2.690
  291   1HD1  LEU  39          1HD1      LEU  39   4.758   1.661  -2.537
  292   2HD1  LEU  39          2HD1      LEU  39   3.800   2.215  -3.911
  293   3HD1  LEU  39          3HD1      LEU  39   3.129   1.030  -2.788
  294   1HD2  LEU  39          1HD2      LEU  39   2.134   3.116  -0.182
  295   2HD2  LEU  39          2HD2      LEU  39   2.417   1.483  -0.783
  296   3HD2  LEU  39          3HD2      LEU  39   1.189   2.499  -1.538
  297    H    LYS  40           H        LYS  40   6.991   6.405  -2.536
  298    HA   LYS  40           HA       LYS  40   9.327   5.017  -2.407
  299   1HB   LYS  40          1HB       LYS  40   8.627   7.829  -1.647
  300   2HB   LYS  40          2HB       LYS  40  10.262   7.239  -1.377
  301   1HG   LYS  40          1HG       LYS  40   9.111   6.775  -4.058
  302   2HG   LYS  40          2HG       LYS  40   9.497   8.442  -3.630
  303   1HD   LYS  40          1HD       LYS  40  11.715   8.077  -3.704
  304   2HD   LYS  40          2HD       LYS  40  11.578   6.491  -2.942
  305   1HE   LYS  40          1HE       LYS  40  12.371   6.067  -5.113
  306   2HE   LYS  40          2HE       LYS  40  10.653   5.673  -5.161
  307   1HZ   LYS  40          1HZ       LYS  40  11.473   6.993  -7.085
  308   2HZ   LYS  40          2HZ       LYS  40  11.757   8.284  -6.030
  309   3HZ   LYS  40          3HZ       LYS  40  10.183   7.709  -6.256
  310    H    ARG  41           H        ARG  41   8.502   7.055   0.378
  311    HA   ARG  41           HA       ARG  41  10.140   5.885   2.221
  312   1HB   ARG  41          1HB       ARG  41   7.372   6.954   2.804
  313   2HB   ARG  41          2HB       ARG  41   8.695   6.803   3.955
  314   1HG   ARG  41          1HG       ARG  41   9.876   8.321   2.069
  315   2HG   ARG  41          2HG       ARG  41   8.200   8.841   1.892
  316   1HD   ARG  41          1HD       ARG  41   8.444   8.859   4.583
  317   2HD   ARG  41          2HD       ARG  41  10.093   9.262   4.107
  318    HE   ARG  41           HE       ARG  41   8.545  10.918   2.602
  319   1HH1  ARG  41          1HH1      ARG  41   8.818  10.258   6.009
  320   2HH1  ARG  41          2HH1      ARG  41   8.358  11.858   6.489
  321   1HH2  ARG  41          1HH2      ARG  41   7.936  13.028   3.220
  322   2HH2  ARG  41          2HH2      ARG  41   7.856  13.433   4.902
  323    H    TYR  42           H        TYR  42  10.329   3.891   2.961
  324    HA   TYR  42           HA       TYR  42   8.436   1.862   2.481
  325   1HB   TYR  42          1HB       TYR  42   9.889   0.415   3.717
  326   2HB   TYR  42          2HB       TYR  42  10.909   1.535   2.820
  327    HD1  TYR  42           HD1      TYR  42  12.574   2.719   3.929
  328    HD2  TYR  42           HD2      TYR  42   9.383   1.039   6.187
  329    HE1  TYR  42           HE1      TYR  42  13.722   3.349   6.008
  330    HE2  TYR  42           HE2      TYR  42  10.524   1.665   8.274
  331    HH   TYR  42           HH       TYR  42  13.135   3.805   8.371
  332    H    CYS  43           H        CYS  43   8.695   4.190   4.997
  333    HA   CYS  43           HA       CYS  43   7.589   2.975   7.191
  334   1HB   CYS  43          1HB       CYS  43   6.656   5.188   7.785
  335   2HB   CYS  43          2HB       CYS  43   8.321   5.293   7.224
  336    H    CYS  44           H        CYS  44   6.068   3.788   4.182
  337    HA   CYS  44           HA       CYS  44   3.383   3.244   5.171
  338   1HB   CYS  44          1HB       CYS  44   4.034   3.544   2.261
  339   2HB   CYS  44          2HB       CYS  44   2.593   4.052   3.136
  340    H    ARG  45           H        ARG  45   5.597   1.902   2.723
  341    HA   ARG  45           HA       ARG  45   4.175  -0.282   1.900
  342   1HB   ARG  45          1HB       ARG  45   7.145  -0.287   2.462
  343   2HB   ARG  45          2HB       ARG  45   6.292  -1.361   1.365
  344   1HG   ARG  45          1HG       ARG  45   6.021   0.262  -0.238
  345   2HG   ARG  45          2HG       ARG  45   6.153   1.584   0.919
  346   1HD   ARG  45          1HD       ARG  45   8.230   1.793   0.093
  347   2HD   ARG  45          2HD       ARG  45   8.596   0.440   1.163
  348    HE   ARG  45           HE       ARG  45   7.746  -0.702  -1.182
  349   1HH1  ARG  45          1HH1      ARG  45  10.278   1.495  -0.241
  350   2HH1  ARG  45          2HH1      ARG  45  11.363   0.984  -1.490
  351   1HH2  ARG  45          1HH2      ARG  45   9.168  -1.384  -2.831
  352   2HH2  ARG  45          2HH2      ARG  45  10.732  -0.652  -2.962
  353    H    ARG  46           H        ARG  46   6.570  -0.358   4.547
  354    HA   ARG  46           HA       ARG  46   6.338  -2.891   5.440
  355   1HB   ARG  46          1HB       ARG  46   6.829  -2.044   7.720
  356   2HB   ARG  46          2HB       ARG  46   7.842  -1.317   6.481
  357   1HG   ARG  46          1HG       ARG  46   7.304   0.620   7.441
  358   2HG   ARG  46          2HG       ARG  46   5.756   0.441   6.614
  359   1HD   ARG  46          1HD       ARG  46   5.375   0.939   8.944
  360   2HD   ARG  46          2HD       ARG  46   4.861  -0.713   8.599
  361    HE   ARG  46           HE       ARG  46   6.418  -1.447  10.093
  362   1HH1  ARG  46          1HH1      ARG  46   7.277   1.774   9.088
  363   2HH1  ARG  46          2HH1      ARG  46   8.595   1.909  10.203
  364   1HH2  ARG  46          1HH2      ARG  46   8.151  -1.279  11.566
  365   2HH2  ARG  46          2HH2      ARG  46   9.092   0.174  11.611
  366    H    MET  47           H        MET  47   3.969  -0.348   5.924
  367    HA   MET  47           HA       MET  47   2.341  -2.005   7.666
  368   1HB   MET  47          1HB       MET  47   2.059   0.784   6.570
  369   2HB   MET  47          2HB       MET  47   0.756  -0.002   7.447
  370   1HG   MET  47          1HG       MET  47   2.553  -0.376   9.275
  371   2HG   MET  47          2HG       MET  47   3.419   0.910   8.436
  372   1HE   MET  47          1HE       MET  47   1.323   3.835   8.416
  373   2HE   MET  47          2HE       MET  47  -0.008   2.785   7.930
  374   3HE   MET  47          3HE       MET  47   1.605   2.538   7.257
  375    H    LEU  48           H        LEU  48   2.478  -1.009   4.329
  376    HA   LEU  48           HA       LEU  48  -0.183  -1.933   3.743
  377   1HB   LEU  48          1HB       LEU  48   1.988  -1.183   1.791
  378   2HB   LEU  48          2HB       LEU  48   0.266  -1.279   1.472
  379    HG   LEU  48           HG       LEU  48   1.207   0.620   3.558
  380   1HD1  LEU  48          1HD1      LEU  48   2.363   1.934   2.196
  381   2HD1  LEU  48          2HD1      LEU  48   1.058   1.921   1.012
  382   3HD1  LEU  48          3HD1      LEU  48   2.293   0.662   0.977
  383   1HD2  LEU  48          1HD2      LEU  48  -1.110   0.545   3.368
  384   2HD2  LEU  48          2HD2      LEU  48  -1.053   0.435   1.609
  385   3HD2  LEU  48          3HD2      LEU  48  -0.654   1.954   2.411
  386    H    ILE  49           H        ILE  49   2.970  -2.819   2.323
  387    HA   ILE  49           HA       ILE  49   2.290  -5.073   0.987
  388    HB   ILE  49           HB       ILE  49   4.599  -6.005   1.683
  389   1HG1  ILE  49          1HG1      ILE  49   5.384  -3.277   2.441
  390   2HG1  ILE  49          2HG1      ILE  49   4.403  -4.108   3.646
  391   1HG2  ILE  49          1HG2      ILE  49   4.162  -3.414   0.225
  392   2HG2  ILE  49          2HG2      ILE  49   4.324  -5.037  -0.448
  393   3HG2  ILE  49          3HG2      ILE  49   5.723  -4.234   0.265
  394   1HD1  ILE  49          1HD1      ILE  49   6.164  -6.044   3.097
  395   2HD1  ILE  49          2HD1      ILE  49   6.412  -4.826   4.347
  396   3HD1  ILE  49          3HD1      ILE  49   7.159  -4.626   2.762
  397    H    SER  50           H        SER  50   2.600  -4.782   4.451
  398    HA   SER  50           HA       SER  50   2.485  -7.613   4.926
  399   1HB   SER  50          1HB       SER  50   2.860  -5.193   6.517
  400   2HB   SER  50          2HB       SER  50   1.842  -6.387   7.324
  401    HG   SER  50           HG       SER  50   4.077  -6.698   7.753
  402    H    HIS  51           H        HIS  51   0.313  -5.103   6.212
  403    HA   HIS  51           HA       HIS  51  -1.856  -7.017   6.239
  404   1HB   HIS  51          1HB       HIS  51  -1.512  -5.578   8.181
  405   2HB   HIS  51          2HB       HIS  51  -1.734  -4.145   7.183
  406    HD2  HIS  51           HD2      HIS  51  -3.886  -3.605   9.012
  407    HE1  HIS  51           HE1      HIS  51  -6.405  -6.464   7.168
  408    HE2  HIS  51           HE2      HIS  51  -6.309  -4.504   8.775
  409    H    VAL  52           H        VAL  52  -1.975  -3.587   5.344
  410    HA   VAL  52           HA       VAL  52  -3.430  -2.522   3.930
  411    HB   VAL  52           HB       VAL  52  -1.331  -2.951   2.651
  412   1HG1  VAL  52          1HG1      VAL  52  -2.865  -4.974   1.074
  413   2HG1  VAL  52          2HG1      VAL  52  -1.833  -5.441   2.426
  414   3HG1  VAL  52          3HG1      VAL  52  -1.143  -4.607   1.036
  415   1HG2  VAL  52          1HG2      VAL  52  -2.988  -1.399   1.845
  416   2HG2  VAL  52          2HG2      VAL  52  -3.892  -2.715   1.091
  417   3HG2  VAL  52          3HG2      VAL  52  -2.289  -2.287   0.489
  418    H    GLU  53           H        GLU  53  -5.524  -2.958   4.333
  419    HA   GLU  53           HA       GLU  53  -6.915  -5.298   4.072
  420   1HB   GLU  53          1HB       GLU  53  -7.563  -2.662   4.614
  421   2HB   GLU  53          2HB       GLU  53  -8.501  -3.020   3.171
  422   1HG   GLU  53          1HG       GLU  53  -9.189  -5.157   4.472
  423   2HG   GLU  53          2HG       GLU  53  -8.660  -4.240   5.882
  424    H    THR  54           H        THR  54  -6.640  -6.597   2.346
  425    HA   THR  54           HA       THR  54  -7.891  -5.824  -0.133
  426    HB   THR  54           HB       THR  54  -5.901  -6.496  -1.522
  427    HG1  THR  54           HG1      THR  54  -4.675  -6.341   1.035
  428   1HG2  THR  54          1HG2      THR  54  -6.576  -4.138  -1.193
  429   2HG2  THR  54          2HG2      THR  54  -4.837  -4.325  -1.415
  430   3HG2  THR  54          3HG2      THR  54  -5.494  -4.048   0.197
  431    H    TRP  55           H        TRP  55  -9.290  -7.524   0.076
  432    HA   TRP  55           HA       TRP  55  -8.150 -10.218   0.324
  433   1HB   TRP  55          1HB       TRP  55  -9.942  -9.542   1.923
  434   2HB   TRP  55          2HB       TRP  55 -11.043  -9.363   0.561
  435    HD1  TRP  55           HD1      TRP  55 -12.367 -11.459  -0.119
  436    HE1  TRP  55           HE1      TRP  55 -12.280 -13.957   0.498
  437    HE3  TRP  55           HE3      TRP  55  -8.060 -11.464   2.637
  438    HZ2  TRP  55           HZ2      TRP  55 -10.605 -15.699   1.961
  439    HZ3  TRP  55           HZ3      TRP  55  -7.285 -13.587   3.610
  440    HH2  TRP  55           HH2      TRP  55  -8.532 -15.659   3.278