*HEADER    CYTOKINE                                13-DEC-07   2JYE              
*TITLE     HUMAN GRANULIN A                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GRANULIN A;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: GRN;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: ORIGAMI(DE3);                              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET-32                                     
*KEYWDS    GRANULIN A, EPITHELIN, HUMAN, STACK OF HAIRPINS,                      
*KEYWDS   2 ALTERNATIVE SPLICING, CYTOKINE, GLYCOPROTEIN, POLYMORPHISM,          
*KEYWDS   3 SECRETED                                                             
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    D.TOLKATCHEV, P.WANG, Z.CHEN, P.XU, F.NI                              
*REVDAT   1   22-APR-08 2JYE    0                                                


 ASSI {  297}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      3.900     1.900     1.900 peak   297 weight  0.10000E+01 volume  0.14638E-02 ppm1      7.231 ppm2      0.815 CV     1
 OR {  297}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  479}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      5.200     3.400     0.800 peak   479 weight  0.68847E+00 volume  0.48904E-03 ppm1      8.421 ppm2      4.743 CV     1
 OR {  479}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  528}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      4.300     2.300     1.700 peak   528 weight  0.88365E+00 volume  0.28172E-03 ppm1      8.314 ppm2      4.699 CV     1
 OR {  528}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  579}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 58   and name HG1 ))
      6.000     4.700     0.000 peak   579 weight  0.98734E+00 volume  0.53806E-04 ppm1      8.944 ppm2      2.279 CV     1
 OR {  579}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  520}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      4.400     2.400     1.600 peak   520 weight  0.10000E+01 volume  0.27141E-03 ppm1      9.784 ppm2      3.438 CV     1
 OR {  520}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
 ASSI {  535}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 10   and name HG1%)
      5.300     3.500     0.700 peak   535 weight  0.88403E+00 volume  0.16566E-03 ppm1      9.281 ppm2      0.763 CV     1
 OR {  535}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 10   and name HG1%)
 ASSI {  569}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 4    and name HG1%)
      5.900     4.400     0.100 peak   569 weight  0.92556E+00 volume  0.90996E-04 ppm1      8.493 ppm2      0.965 CV     1
 OR {  569}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 10   and name HG2%)
 OR {  569}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
 ASSI {  628}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.900     1.900     1.900 peak   628 weight  0.10000E+01 volume  0.13188E-02 ppm1      9.294 ppm2      8.353 CV     1
 OR {  628}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  743}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 32   and name HA  ))
      4.100     2.100     1.900 peak   743 weight  0.10000E+01 volume  0.68951E-03 ppm1      7.085 ppm2      4.204 CV     1
 OR {  743}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  744}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 32   and name HA  ))
      3.700     1.700     1.700 peak   744 weight  0.92308E+00 volume  0.14567E-02 ppm1      7.242 ppm2      4.214 CV     1
 OR {  744}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  745}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 15   and name HA2 ))
      3.900     1.900     1.900 peak   745 weight  0.10000E+01 volume  0.41568E-03 ppm1      7.086 ppm2      3.428 CV     1
 OR {  745}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 19   and name HB2 ))
 OR {  745}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 19   and name HB1 ))
 ASSI {  746}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 15   and name HA2 ))
      4.200     2.200     1.800 peak   746 weight  0.10000E+01 volume  0.32715E-03 ppm1      7.244 ppm2      3.428 CV     1
 OR {  746}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 19   and name HB2 ))
 OR {  746}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 19   and name HB1 ))
 ASSI {  754}
   (  segid "    " and resid 31   and name HE% )
   (  segid "    " and resid 17   and name HG2%)
      3.700     1.700     1.700 peak   754 weight  0.10000E+01 volume  0.13112E-02 ppm1      7.243 ppm2      1.100 CV     1
 OR {  754}
   (  segid "    " and resid 31   and name HE% )
   (  segid "    " and resid 32   and name HG2%)
 ASSI {  756}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      4.400     2.400     1.600 peak   756 weight  0.10000E+01 volume  0.83178E-03 ppm1      7.242 ppm2      0.830 CV     1
 OR {  756}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI {  824}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      5.100     3.200     0.900 peak   824 weight  0.92308E+00 volume  0.49710E-03 ppm1      7.991 ppm2      0.826 CV     1
 OR {  824}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 21   and name HD2%)
 OR {  824}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
 OR {  824}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  401}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 20   and name HD2 ))
      3.800     1.800     1.800 peak   401 weight  0.10000E+01 volume  0.23347E-03 ppm1      7.441 ppm2      2.363 CV     1
 OR {  401}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  402}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 20   and name HD1 ))
      3.300     1.400     1.400 peak   402 weight  0.92308E+00 volume  0.14522E-02 ppm1      7.438 ppm2      2.107 CV     1
 OR {  402}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 6    and name HB1 ))
 ASSI {  404}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 6    and name HB1 ))
      3.600     1.600     1.600 peak   404 weight  0.92308E+00 volume  0.55661E-03 ppm1      7.332 ppm2      2.106 CV     1
 OR {  404}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 20   and name HD1 ))
 ASSI {  426}
   (( segid "    " and resid 26   and name HZ3 ))
   (( segid "    " and resid 20   and name HD1 ))
      3.300     1.400     1.400 peak   426 weight  0.10000E+01 volume  0.32016E-03 ppm1      6.797 ppm2      2.107 CV     1
 OR {  426}
   (( segid "    " and resid 26   and name HZ3 ))
   (( segid "    " and resid 6    and name HB1 ))
 ASSI {  427}
   (( segid "    " and resid 26   and name HH2 ))
   (( segid "    " and resid 20   and name HD1 ))
      3.400     1.400     1.400 peak   427 weight  0.10000E+01 volume  0.26214E-03 ppm1      7.143 ppm2      2.102 CV     1
 OR {  427}
   (( segid "    " and resid 26   and name HH2 ))
   (( segid "    " and resid 6    and name HB1 ))
 ASSI {  444}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 13   and name HA  ))
      4.600     2.700     1.400 peak   444 weight  0.10000E+01 volume  0.16290E-03 ppm1      6.683 ppm2      4.654 CV     1
 OR {  444}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  445}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 13   and name HA  ))
      5.900     4.300     0.100 peak   445 weight  0.88606E+00 volume  0.48987E-04 ppm1      6.756 ppm2      4.655 CV     1
 OR {  445}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  617}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
      5.900     4.400     0.100 peak   617 weight  0.10000E+01 volume  0.11962E-03 ppm1      5.064 ppm2      1.539 CV     1
 OR {  617}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  617}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI {  734}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 56   and name HG2%)
      4.100     2.100     1.900 peak   734 weight  0.99371E+00 volume  0.89168E-03 ppm1      1.904 ppm2      1.040 CV     1
 OR {  734}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI {  770}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 41   and name HG2%)
      4.600     2.600     1.400 peak   770 weight  0.97434E+00 volume  0.23337E-03 ppm1      3.265 ppm2      0.583 CV     1
 OR {  770}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 41   and name HG2%)


 ASSI {    7}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.200     1.300     1.300 peak     7 weight  0.10000E+01 volume  0.16636E-02 ppm1      8.721 ppm2      4.816 CV     1
 ASSI {    9}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      1.900     0.400     0.400 peak     9 weight  0.10000E+01 volume  0.78781E-02 ppm1      8.720 ppm2      3.974 CV     1
 ASSI {   17}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      5.300     3.500     0.700 peak    17 weight  0.80438E+00 volume  0.11006E-03 ppm1      8.300 ppm2      8.528 CV     1
 ASSI {   21}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.100     0.500     0.500 peak    21 weight  0.92308E+00 volume  0.92916E-02 ppm1      8.301 ppm2      4.098 CV     1
 ASSI {   25}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HG1%)
      3.000     1.100     1.100 peak    25 weight  0.10000E+01 volume  0.29983E-02 ppm1      8.301 ppm2      0.912 CV     1
 ASSI {   38}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak    38 weight  0.10000E+01 volume  0.21911E-02 ppm1      8.239 ppm2      5.035 CV     1
 ASSI {   51}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.400     0.700     0.700 peak    51 weight  0.10000E+01 volume  0.15273E-02 ppm1      9.288 ppm2      9.766 CV     1
 ASSI {   54}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HD% )
      6.000     4.600     0.000 peak    54 weight  0.10000E+01 volume  0.62769E-04 ppm1      9.288 ppm2      6.664 CV     1
 ASSI {   57}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.500     1.500     1.500 peak    57 weight  0.10000E+01 volume  0.24256E-02 ppm1      9.287 ppm2      3.870 CV     1
 ASSI {   58}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.700     1.800     1.800 peak    58 weight  0.10000E+01 volume  0.15655E-02 ppm1      9.286 ppm2      2.895 CV     1
 ASSI {   59}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      5.200     3.400     0.800 peak    59 weight  0.92308E+00 volume  0.22615E-03 ppm1      9.288 ppm2      2.718 CV     1
 ASSI {   67}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     6.000     0.000 peak    67 weight  0.60434E+00 volume  0.19075E-04 ppm1      9.288 ppm2      5.627 CV     1
 ASSI {  160}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HG2 ))
      4.000     2.000     2.000 peak   160 weight  0.10000E+01 volume  0.15845E-02 ppm1      8.846 ppm2      2.088 CV     1
 ASSI {  166}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.100     0.600     0.600 peak   166 weight  0.10000E+01 volume  0.66940E-02 ppm1      8.658 ppm2      4.449 CV     1
 ASSI {  169}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.800     1.800     1.800 peak   169 weight  0.10000E+01 volume  0.20032E-02 ppm1      8.660 ppm2      2.584 CV     1
 ASSI {  171}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 16   and name HD% )
      6.000     5.900     0.000 peak   171 weight  0.60305E+00 volume  0.18852E-04 ppm1      9.774 ppm2      6.688 CV     1
 ASSI {  172}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.100     0.500     0.500 peak   172 weight  0.10000E+01 volume  0.46179E-02 ppm1      9.774 ppm2      5.621 CV     1
 ASSI {  175}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.600     1.600     1.600 peak   175 weight  0.92308E+00 volume  0.25506E-02 ppm1      9.774 ppm2      2.635 CV     1
 ASSI {  212}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      3.400     1.400     1.400 peak   212 weight  0.10000E+01 volume  0.13815E-02 ppm1      8.355 ppm2      1.092 CV     1
 ASSI {  215}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB  ))
      3.800     1.800     1.800 peak   215 weight  0.10000E+01 volume  0.17503E-02 ppm1      8.356 ppm2      3.858 CV     1
 ASSI {  221}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.000     1.200     1.200 peak   221 weight  0.10000E+01 volume  0.33501E-02 ppm1      9.252 ppm2      5.090 CV     1
 ASSI {  222}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      4.500     2.500     1.500 peak   222 weight  0.10000E+01 volume  0.52117E-03 ppm1      9.252 ppm2      4.773 CV     1
 ASSI {  230}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.200     0.600     0.600 peak   230 weight  0.10000E+01 volume  0.43101E-02 ppm1      8.794 ppm2      5.203 CV     1
 ASSI {  233}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      4.000     2.000     2.000 peak   233 weight  0.10000E+01 volume  0.16045E-02 ppm1      8.794 ppm2      3.404 CV     1
 ASSI {  234}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.200     1.300     1.300 peak   234 weight  0.10000E+01 volume  0.20476E-02 ppm1      8.795 ppm2      3.183 CV     1
 ASSI {  245}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      4.700     2.800     1.300 peak   245 weight  0.10000E+01 volume  0.42612E-03 ppm1      9.155 ppm2      8.451 CV     1
 ASSI {  250}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak   250 weight  0.10000E+01 volume  0.39073E-02 ppm1      7.980 ppm2      7.228 CV     1
 ASSI {  255}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.900     1.100     1.100 peak   255 weight  0.10000E+01 volume  0.14664E-02 ppm1      7.979 ppm2      1.669 CV     1
 ASSI {  256}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 25   and name HB% )
      4.400     2.400     1.600 peak   256 weight  0.10000E+01 volume  0.10083E-02 ppm1      7.980 ppm2      1.307 CV     1
 ASSI {  263}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HE3 ))
      3.000     1.100     1.100 peak   263 weight  0.10000E+01 volume  0.15966E-02 ppm1      9.155 ppm2      7.414 CV     1
 ASSI {  264}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.000     0.500     0.500 peak   264 weight  0.10000E+01 volume  0.66074E-02 ppm1      9.155 ppm2      4.836 CV     1
 ASSI {  267}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.300     1.400     1.400 peak   267 weight  0.10000E+01 volume  0.13859E-02 ppm1      9.154 ppm2      3.970 CV     1
 ASSI {  270}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak   270 weight  0.10000E+01 volume  0.15319E-02 ppm1      9.154 ppm2      2.908 CV     1
 ASSI {  278}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      4.200     2.200     1.800 peak   278 weight  0.86391E+00 volume  0.33244E-03 ppm1      8.121 ppm2      4.854 CV     1
 ASSI {  285}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     5.200     0.000 peak   285 weight  0.92308E+00 volume  0.58468E-04 ppm1      7.231 ppm2      8.462 CV     1
 ASSI {  287}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HD1 ))
      4.600     2.700     1.400 peak   287 weight  0.83909E+00 volume  0.57189E-03 ppm1      7.231 ppm2      7.376 CV     1
 OR {  287}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HE3 ))
 ASSI {  292}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.700     1.700     1.700 peak   292 weight  0.92308E+00 volume  0.16095E-03 ppm1      7.232 ppm2      3.879 CV     1
 ASSI {  293}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA1 ))
      3.300     1.400     1.400 peak   293 weight  0.10000E+01 volume  0.15534E-02 ppm1      7.231 ppm2      3.318 CV     1
 ASSI {  301}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      5.800     4.200     0.200 peak   301 weight  0.10000E+01 volume  0.63418E-04 ppm1      7.230 ppm2      4.037 CV     1
 ASSI {  308}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.900     2.900     1.100 peak   308 weight  0.10000E+01 volume  0.17250E-03 ppm1      7.680 ppm2      2.039 CV     1
 ASSI {  311}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      4.500     2.600     1.500 peak   311 weight  0.86391E+00 volume  0.27816E-03 ppm1      8.117 ppm2      7.984 CV     1
 ASSI {  312}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      6.000     5.700     0.000 peak   312 weight  0.57227E+00 volume  0.21328E-04 ppm1      8.117 ppm2      4.857 CV     1
 ASSI {  337}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HG1 ))
      3.600     1.600     1.600 peak   337 weight  0.10000E+01 volume  0.34556E-02 ppm1      8.333 ppm2      2.505 CV     1
 ASSI {  341}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   341 weight  0.95692E+00 volume  0.29340E-02 ppm1      8.064 ppm2      5.004 CV     1
 ASSI {  360}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      5.400     3.700     0.600 peak   360 weight  0.92308E+00 volume  0.13858E-03 ppm1      8.215 ppm2      8.439 CV     1
 ASSI {  369}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.000     0.500     0.500 peak   369 weight  0.10000E+01 volume  0.12669E-01 ppm1      8.214 ppm2      4.161 CV     1
 ASSI {  371}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB  ))
      3.700     1.700     1.700 peak   371 weight  0.10000E+01 volume  0.17945E-02 ppm1      8.214 ppm2      1.767 CV     1
 ASSI {  372}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HG2%)
      3.400     1.400     1.400 peak   372 weight  0.10000E+01 volume  0.20159E-02 ppm1      8.214 ppm2      0.925 CV     1
 ASSI {  373}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HG1%)
      2.800     0.900     0.900 peak   373 weight  0.10000E+01 volume  0.32936E-02 ppm1      8.213 ppm2      0.741 CV     1
 ASSI {  390}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      4.500     2.600     1.500 peak   390 weight  0.92308E+00 volume  0.57898E-03 ppm1      8.147 ppm2      8.010 CV     1
 ASSI {  400}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 26   and name HE3 ))
      2.900     1.000     1.000 peak   400 weight  0.10000E+01 volume  0.17362E-02 ppm1      9.274 ppm2      7.412 CV     1
 ASSI {  405}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.400     1.500     1.500 peak   405 weight  0.10000E+01 volume  0.29860E-02 ppm1      9.274 ppm2      2.901 CV     1
 ASSI {  411}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      3.300     1.400     1.400 peak   411 weight  0.91910E+00 volume  0.22274E-02 ppm1      8.817 ppm2      1.039 CV     1
 ASSI {  425}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.800     0.800 peak   425 weight  0.10000E+01 volume  0.26736E-02 ppm1      7.192 ppm2      8.734 CV     1
 ASSI {  426}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     5.700     0.000 peak   426 weight  0.74397E+00 volume  0.19681E-04 ppm1      7.192 ppm2      7.849 CV     1
 ASSI {  430}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      4.900     3.000     1.100 peak   430 weight  0.10000E+01 volume  0.18043E-03 ppm1      7.193 ppm2      4.744 CV     1
 ASSI {  432}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA1 ))
      3.700     1.700     1.700 peak   432 weight  0.10000E+01 volume  0.12453E-02 ppm1      7.192 ppm2      3.555 CV     1
 ASSI {  433}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.400     1.500     1.500 peak   433 weight  0.10000E+01 volume  0.14022E-02 ppm1      7.192 ppm2      3.173 CV     1
 ASSI {  434}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      5.000     3.100     1.000 peak   434 weight  0.10000E+01 volume  0.28422E-03 ppm1      7.191 ppm2      2.473 CV     1
 ASSI {  435}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      4.200     2.200     1.800 peak   435 weight  0.10000E+01 volume  0.51516E-03 ppm1      7.193 ppm2      1.891 CV     1
 ASSI {  438}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.700     1.700     1.700 peak   438 weight  0.10000E+01 volume  0.57933E-03 ppm1      8.828 ppm2      8.256 CV     1
 ASSI {  441}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.600     1.700     1.700 peak   441 weight  0.10000E+01 volume  0.30041E-02 ppm1      8.828 ppm2      3.650 CV     1
 ASSI {  450}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.000     0.500     0.500 peak   450 weight  0.92308E+00 volume  0.96886E-02 ppm1      8.273 ppm2      4.620 CV     1
 ASSI {  453}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      2.700     0.900     0.900 peak   453 weight  0.92308E+00 volume  0.36041E-02 ppm1      8.272 ppm2      2.536 CV     1
 ASSI {  461}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      4.000     2.000     2.000 peak   461 weight  0.82936E+00 volume  0.93207E-04 ppm1      8.022 ppm2      7.864 CV     1
 ASSI {  477}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA2 ))
      3.000     1.100     1.100 peak   477 weight  0.10000E+01 volume  0.13770E-02 ppm1      7.192 ppm2      3.939 CV     1
 ASSI {  478}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.000     1.100     1.100 peak   478 weight  0.10000E+01 volume  0.18312E-02 ppm1      7.191 ppm2      1.604 CV     1
 ASSI {  485}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA2 ))
      2.800     1.000     1.000 peak   485 weight  0.10000E+01 volume  0.27271E-02 ppm1      8.459 ppm2      4.258 CV     1
 ASSI {  486}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA1 ))
      3.500     1.600     1.600 peak   486 weight  0.10000E+01 volume  0.15285E-02 ppm1      8.458 ppm2      3.614 CV     1
 ASSI {  493}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.200     0.600     0.600 peak   493 weight  0.10000E+01 volume  0.53027E-02 ppm1      8.359 ppm2      7.863 CV     1
 ASSI {  496}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 55   and name HA2 ))
      4.300     2.300     1.700 peak   496 weight  0.10000E+01 volume  0.14125E-02 ppm1      8.360 ppm2      3.974 CV     1
 ASSI {  499}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      5.900     4.400     0.100 peak   499 weight  0.10000E+01 volume  0.20218E-03 ppm1      8.359 ppm2      1.616 CV     1
 ASSI {  500}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      4.400     2.400     1.600 peak   500 weight  0.10000E+01 volume  0.37699E-03 ppm1      8.359 ppm2      1.235 CV     1
 ASSI {  511}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.100     0.600     0.600 peak   511 weight  0.10000E+01 volume  0.36125E-02 ppm1      8.731 ppm2      7.858 CV     1
 ASSI {  513}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.500     1.500     1.500 peak   513 weight  0.10000E+01 volume  0.13207E-02 ppm1      8.730 ppm2      1.614 CV     1
 ASSI {  515}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.200     1.300     1.300 peak   515 weight  0.10000E+01 volume  0.12434E-02 ppm1      8.727 ppm2      4.249 CV     1
 ASSI {  529}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.600     0.000 peak   529 weight  0.10000E+01 volume  0.98457E-04 ppm1      8.318 ppm2      9.281 CV     1
 ASSI {  533}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.200     1.300     1.300 peak   533 weight  0.10000E+01 volume  0.21723E-02 ppm1      8.318 ppm2      4.447 CV     1
 ASSI {  534}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      3.000     1.200     1.200 peak   534 weight  0.10000E+01 volume  0.19969E-02 ppm1      8.319 ppm2      3.406 CV     1
 ASSI {  537}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      6.000     6.000     0.000 peak   537 weight  0.66576E+00 volume  0.19461E-04 ppm1      8.319 ppm2      2.354 CV     1
 ASSI {  538}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     0.800     0.800 peak   538 weight  0.10000E+01 volume  0.33211E-02 ppm1      8.319 ppm2      8.642 CV     1
 ASSI {  540}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      3.200     1.300     1.300 peak   540 weight  0.10000E+01 volume  0.17146E-02 ppm1      8.318 ppm2      4.201 CV     1
 ASSI {  541}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      5.200     3.400     0.800 peak   541 weight  0.92308E+00 volume  0.56409E-03 ppm1      8.319 ppm2      2.734 CV     1
 ASSI {  557}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.300     1.300 peak   557 weight  0.10000E+01 volume  0.50881E-02 ppm1      7.929 ppm2      4.721 CV     1
 ASSI {  560}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.900     3.000     1.100 peak   560 weight  0.10000E+01 volume  0.24391E-03 ppm1      8.451 ppm2      8.683 CV     1
 ASSI {  567}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.300     0.600     0.600 peak   567 weight  0.10000E+01 volume  0.71463E-02 ppm1      8.452 ppm2      4.287 CV     1
 ASSI {  570}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HB% )
      2.500     0.800     0.800 peak   570 weight  0.10000E+01 volume  0.61690E-02 ppm1      8.452 ppm2      1.300 CV     1
 ASSI {  571}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 10   and name HG2%)
      4.100     2.100     1.900 peak   571 weight  0.92308E+00 volume  0.36363E-03 ppm1      8.451 ppm2      0.932 CV     1
 ASSI {  575}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.100     0.600     0.600 peak   575 weight  0.10000E+01 volume  0.52618E-02 ppm1      8.946 ppm2      4.758 CV     1
 ASSI {  583}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      5.400     3.700     0.600 peak   583 weight  0.82582E+00 volume  0.10514E-03 ppm1      8.309 ppm2      8.525 CV     1
 ASSI {  587}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.200     0.600     0.600 peak   587 weight  0.10000E+01 volume  0.61559E-02 ppm1      8.312 ppm2      4.253 CV     1
 ASSI {  588}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      5.200     3.300     0.800 peak   588 weight  0.10000E+01 volume  0.59300E-04 ppm1      8.310 ppm2      2.681 CV     1
 ASSI {  591}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 10   and name HG2%)
      4.800     2.900     1.200 peak   591 weight  0.10000E+01 volume  0.71724E-03 ppm1      8.310 ppm2      0.934 CV     1
 ASSI {  608}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak   608 weight  0.92308E+00 volume  0.85210E-03 ppm1      8.177 ppm2      8.312 CV     1
 ASSI {  611}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.300     0.700     0.700 peak   611 weight  0.92308E+00 volume  0.68725E-02 ppm1      8.177 ppm2      4.637 CV     1
 ASSI {  614}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      1.900     0.400     0.400 peak   614 weight  0.10000E+01 volume  0.36135E-02 ppm1      8.177 ppm2      2.200 CV     1
 ASSI {  615}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.400     1.400     1.400 peak   615 weight  0.10000E+01 volume  0.28573E-02 ppm1      8.177 ppm2      1.963 CV     1
 ASSI {  618}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.800     0.000 peak   618 weight  0.10000E+01 volume  0.10413E-03 ppm1      8.176 ppm2      8.669 CV     1
 ASSI {  619}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.700     0.000 peak   619 weight  0.96095E+00 volume  0.56470E-04 ppm1      8.166 ppm2      3.157 CV     1
 ASSI {  628}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      5.600     3.900     0.400 peak   628 weight  0.90269E+00 volume  0.24820E-03 ppm1      7.862 ppm2      4.728 CV     1
 ASSI {  631}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.800     1.000     1.000 peak   631 weight  0.10000E+01 volume  0.36142E-02 ppm1      7.863 ppm2      2.146 CV     1
 ASSI {  652}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA2 ))
      2.400     0.700     0.700 peak   652 weight  0.10000E+01 volume  0.33392E-02 ppm1      8.436 ppm2      4.457 CV     1
 ASSI {  674}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak   674 weight  0.89244E+00 volume  0.29823E-02 ppm1      7.933 ppm2      4.555 CV     1
 ASSI {  676}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.100     2.100     1.900 peak   676 weight  0.98088E+00 volume  0.28925E-03 ppm1      7.933 ppm2      2.853 CV     1
 OR {  676}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  690}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.700     0.000 peak   690 weight  0.59942E+00 volume  0.18217E-04 ppm1      7.906 ppm2      8.294 CV     1
 ASSI {  693}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.200     1.300     1.300 peak   693 weight  0.10000E+01 volume  0.26889E-02 ppm1      7.904 ppm2      2.702 CV     1
 ASSI {  706}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      4.700     2.800     1.300 peak   706 weight  0.10000E+01 volume  0.27694E-03 ppm1      9.299 ppm2      3.591 CV     1
 ASSI {  707}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      4.900     3.000     1.100 peak   707 weight  0.10000E+01 volume  0.26561E-03 ppm1      9.299 ppm2      3.371 CV     1
 ASSI {  709}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.900     1.000     1.000 peak   709 weight  0.10000E+01 volume  0.15666E-02 ppm1      9.299 ppm2      2.546 CV     1
 ASSI {  714}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HE2 ))
      6.000     6.000     0.000 peak   714 weight  0.63415E+00 volume  0.13599E-04 ppm1      8.480 ppm2      2.922 CV     1
 ASSI {  716}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      4.100     2.100     1.900 peak   716 weight  0.86391E+00 volume  0.41447E-03 ppm1      8.482 ppm2      1.634 CV     1
 ASSI {  718}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      4.300     2.300     1.700 peak   718 weight  0.86391E+00 volume  0.22801E-03 ppm1      8.485 ppm2      7.603 CV     1
 ASSI {  720}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.400     1.500     1.500 peak   720 weight  0.86391E+00 volume  0.89986E-03 ppm1      7.607 ppm2      2.173 CV     1
 ASSI {  721}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 10   and name HB  ))
      4.900     3.000     1.100 peak   721 weight  0.92308E+00 volume  0.13286E-03 ppm1      7.612 ppm2      1.763 CV     1
 ASSI {  727}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     6.000     0.000 peak   727 weight  0.65548E+00 volume  0.17664E-04 ppm1      7.905 ppm2      7.640 CV     1
 ASSI {  733}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 26   and name HE3 ))
      6.000     6.000     0.000 peak   733 weight  0.76359E+00 volume  0.33781E-04 ppm1      8.722 ppm2      7.419 CV     1
 ASSI {  747}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      5.600     3.900     0.400 peak   747 weight  0.63384E+00 volume  0.13536E-04 ppm1      7.683 ppm2      2.411 CV     1
 ASSI {  748}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HA1 ))
      6.000     6.000     0.000 peak   748 weight  0.90955E+00 volume  0.50715E-04 ppm1      7.673 ppm2      3.297 CV     1
 ASSI {  749}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      5.300     3.500     0.700 peak   749 weight  0.86391E+00 volume  0.10702E-03 ppm1      7.680 ppm2      4.411 CV     1
 ASSI {  755}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      5.400     3.600     0.600 peak   755 weight  0.92308E+00 volume  0.81232E-04 ppm1      7.684 ppm2      7.234 CV     1
 ASSI {  756}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))
      5.400     3.700     0.600 peak   756 weight  0.92169E+00 volume  0.51991E-04 ppm1      7.980 ppm2      2.401 CV     1
 ASSI {  757}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      5.300     3.600     0.700 peak   757 weight  0.92308E+00 volume  0.91658E-04 ppm1      7.982 ppm2      2.058 CV     1
 ASSI {  764}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      6.000     5.000     0.000 peak   764 weight  0.86371E+00 volume  0.45744E-04 ppm1      9.156 ppm2      5.223 CV     1
 ASSI {  766}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      4.500     2.500     1.500 peak   766 weight  0.92308E+00 volume  0.15151E-03 ppm1      9.776 ppm2      3.411 CV     1
 ASSI {  775}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HD% )
      6.000     4.800     0.000 peak   775 weight  0.92308E+00 volume  0.11533E-03 ppm1      9.300 ppm2      6.883 CV     1
 ASSI {  780}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      6.000     6.000     0.000 peak   780 weight  0.73710E+00 volume  0.30256E-04 ppm1      8.943 ppm2      1.077 CV     1
 ASSI {  782}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      4.500     2.600     1.500 peak   782 weight  0.86391E+00 volume  0.63457E-03 ppm1      8.946 ppm2      2.872 CV     1
 ASSI {  785}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      5.700     4.100     0.300 peak   785 weight  0.92308E+00 volume  0.13601E-03 ppm1      8.947 ppm2      8.430 CV     1
 ASSI {  786}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      4.100     2.100     1.900 peak   786 weight  0.86391E+00 volume  0.67384E-03 ppm1      8.946 ppm2      8.709 CV     1
 ASSI {  787}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      5.500     3.700     0.500 peak   787 weight  0.82801E+00 volume  0.17791E-03 ppm1      8.945 ppm2      9.211 CV     1
 ASSI {  135}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 4    and name HG2%)
      4.400     2.400     1.600 peak   135 weight  0.10000E+01 volume  0.44677E-03 ppm1      2.731 ppm2      0.911 CV     1
 ASSI {  213}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA1 ))
      2.900     1.000     1.000 peak   213 weight  0.10000E+01 volume  0.47699E-02 ppm1      8.447 ppm2      3.742 CV     1
 ASSI {  218}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.800     1.000     1.000 peak   218 weight  0.10000E+01 volume  0.11088E-02 ppm1      9.165 ppm2      2.936 CV     1
 ASSI {  221}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.200     0.600     0.600 peak   221 weight  0.92308E+00 volume  0.83395E-02 ppm1      8.435 ppm2      4.817 CV     1
 ASSI {  227}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA2 ))
      3.700     1.700     1.700 peak   227 weight  0.10000E+01 volume  0.89781E-03 ppm1      7.241 ppm2      3.336 CV     1
 ASSI {  231}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.200     1.300     1.300 peak   231 weight  0.92308E+00 volume  0.16759E-02 ppm1      7.991 ppm2      4.199 CV     1
 ASSI {  233}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      4.200     2.200     1.800 peak   233 weight  0.92308E+00 volume  0.45835E-03 ppm1      7.990 ppm2      3.859 CV     1
 ASSI {  234}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      4.400     2.400     1.600 peak   234 weight  0.10000E+01 volume  0.25863E-03 ppm1      7.994 ppm2      4.018 CV     1
 ASSI {  237}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      4.000     2.000     2.000 peak   237 weight  0.92308E+00 volume  0.37727E-03 ppm1      7.690 ppm2      3.935 CV     1
 ASSI {  239}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.700     1.700     1.700 peak   239 weight  0.10000E+01 volume  0.72660E-03 ppm1      7.692 ppm2      1.693 CV     1
 ASSI {  243}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      5.900     4.400     0.100 peak   243 weight  0.10000E+01 volume  0.15239E-03 ppm1      8.911 ppm2      0.831 CV     1
 ASSI {  245}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.800     1.800     1.800 peak   245 weight  0.10000E+01 volume  0.36384E-03 ppm1      8.911 ppm2      4.412 CV     1
 ASSI {  251}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      4.200     2.200     1.800 peak   251 weight  0.92308E+00 volume  0.10637E-02 ppm1      8.731 ppm2      0.913 CV     1
 ASSI {  252}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.300     1.400     1.400 peak   252 weight  0.10000E+01 volume  0.54542E-03 ppm1      8.731 ppm2      1.190 CV     1
 ASSI {  253}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.700     1.700     1.700 peak   253 weight  0.92308E+00 volume  0.20655E-02 ppm1      8.731 ppm2      1.337 CV     1
 ASSI {  256}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HD1 ))
      3.500     1.600     1.600 peak   256 weight  0.10000E+01 volume  0.97439E-03 ppm1      8.733 ppm2      2.141 CV     1
 ASSI {  257}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))
      3.900     1.900     1.900 peak   257 weight  0.10000E+01 volume  0.24622E-03 ppm1      8.730 ppm2      2.384 CV     1
 ASSI {  266}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.000     0.500     0.500 peak   266 weight  0.10000E+01 volume  0.76500E-02 ppm1      9.283 ppm2      5.267 CV     1
 ASSI {  270}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.200     0.600     0.600 peak   270 weight  0.92308E+00 volume  0.86234E-02 ppm1      8.365 ppm2      4.682 CV     1
 ASSI {  277}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.000     0.500     0.500 peak   277 weight  0.10000E+01 volume  0.65294E-02 ppm1      9.305 ppm2      5.047 CV     1
 ASSI {  279}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.500     1.500     1.500 peak   279 weight  0.10000E+01 volume  0.18432E-02 ppm1      9.295 ppm2      3.167 CV     1
 ASSI {  280}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.100     0.500     0.500 peak   280 weight  0.10000E+01 volume  0.41891E-02 ppm1      9.304 ppm2      2.565 CV     1
 ASSI {  292}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      5.700     4.000     0.300 peak   292 weight  0.10000E+01 volume  0.42890E-03 ppm1      8.183 ppm2      1.509 CV     1
 ASSI {  293}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      4.600     2.600     1.400 peak   293 weight  0.10000E+01 volume  0.40548E-03 ppm1      8.186 ppm2      1.737 CV     1
 ASSI {  294}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HD1 ))
      6.000     5.600     0.000 peak   294 weight  0.92308E+00 volume  0.15173E-03 ppm1      8.186 ppm2      3.683 CV     1
 ASSI {  299}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.200     0.600     0.600 peak   299 weight  0.92308E+00 volume  0.58351E-02 ppm1      8.837 ppm2      4.911 CV     1
 ASSI {  304}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      5.000     3.100     1.000 peak   304 weight  0.86391E+00 volume  0.53893E-03 ppm1      8.841 ppm2      3.632 CV     1
 ASSI {  319}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.500     1.500     1.500 peak   319 weight  0.92308E+00 volume  0.10064E-02 ppm1      7.620 ppm2      3.957 CV     1
 ASSI {  321}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      4.400     2.400     1.600 peak   321 weight  0.10000E+01 volume  0.22157E-03 ppm1      7.615 ppm2      2.150 CV     1
 ASSI {  329}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      5.500     3.800     0.500 peak   329 weight  0.10000E+01 volume  0.14419E-03 ppm1      8.498 ppm2      1.234 CV     1
 ASSI {  330}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HD1 ))
      4.200     2.200     1.800 peak   330 weight  0.10000E+01 volume  0.77053E-04 ppm1      8.503 ppm2      1.384 CV     1
 ASSI {  334}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak   334 weight  0.10000E+01 volume  0.32964E-02 ppm1      8.494 ppm2      4.344 CV     1
 ASSI {  335}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      3.800     1.800     1.800 peak   335 weight  0.92308E+00 volume  0.43815E-02 ppm1      8.313 ppm2      0.928 CV     1
 ASSI {  337}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      3.200     1.300     1.300 peak   337 weight  0.92308E+00 volume  0.31022E-02 ppm1      8.316 ppm2      2.035 CV     1
 ASSI {  342}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.700     1.700     1.700 peak   342 weight  0.10000E+01 volume  0.89403E-03 ppm1      8.281 ppm2      2.586 CV     1
 ASSI {  348}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.200     0.600     0.600 peak   348 weight  0.10000E+01 volume  0.51125E-02 ppm1      8.073 ppm2      3.896 CV     1
 ASSI {  349}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      3.200     1.300     1.300 peak   349 weight  0.92308E+00 volume  0.17842E-02 ppm1      8.072 ppm2      1.763 CV     1
 ASSI {  352}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      4.400     2.400     1.600 peak   352 weight  0.10000E+01 volume  0.85829E-03 ppm1      7.943 ppm2      2.875 CV     1
 ASSI {  358}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      4.100     2.100     1.900 peak   358 weight  0.92308E+00 volume  0.85942E-03 ppm1      8.059 ppm2      1.089 CV     1
 ASSI {  359}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      4.200     2.200     1.800 peak   359 weight  0.10000E+01 volume  0.10332E-02 ppm1      8.058 ppm2      4.092 CV     1
 ASSI {  361}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HG2 ))
      4.600     2.700     1.400 peak   361 weight  0.10000E+01 volume  0.37873E-03 ppm1      8.257 ppm2      2.260 CV     1
 ASSI {  362}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.500     1.600     1.600 peak   362 weight  0.92308E+00 volume  0.17158E-02 ppm1      8.250 ppm2      2.031 CV     1
 ASSI {  363}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.400     1.400     1.400 peak   363 weight  0.92308E+00 volume  0.13689E-02 ppm1      8.249 ppm2      1.911 CV     1
 ASSI {  364}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.600     0.800     0.800 peak   364 weight  0.92308E+00 volume  0.37657E-02 ppm1      7.953 ppm2      4.334 CV     1
 ASSI {  366}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 34   and name HB% )
      3.600     1.600     1.600 peak   366 weight  0.10000E+01 volume  0.11807E-02 ppm1      7.953 ppm2      1.272 CV     1
 ASSI {  373}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      4.900     3.000     1.100 peak   373 weight  0.10000E+01 volume  0.12238E-03 ppm1      7.803 ppm2      4.230 CV     1
 ASSI {  374}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.700     1.700     1.700 peak   374 weight  0.10000E+01 volume  0.25231E-03 ppm1      7.803 ppm2      2.156 CV     1
 ASSI {  375}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HG1%)
      4.800     2.800     1.200 peak   375 weight  0.10000E+01 volume  0.32026E-03 ppm1      7.805 ppm2      0.883 CV     1
 ASSI {  378}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak   378 weight  0.10000E+01 volume  0.18268E-02 ppm1      8.665 ppm2      4.943 CV     1
 ASSI {  379}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.400     1.500     1.500 peak   379 weight  0.10000E+01 volume  0.13250E-02 ppm1      8.668 ppm2      3.112 CV     1
 ASSI {  380}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      4.200     2.200     1.800 peak   380 weight  0.92308E+00 volume  0.57681E-03 ppm1      8.664 ppm2      3.371 CV     1
 ASSI {  386}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      3.400     1.400     1.400 peak   386 weight  0.10000E+01 volume  0.28400E-02 ppm1      8.828 ppm2      4.145 CV     1
 ASSI {  388}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.200     0.600     0.600 peak   388 weight  0.10000E+01 volume  0.66505E-02 ppm1      8.827 ppm2      4.576 CV     1
 ASSI {  400}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      4.300     2.400     1.700 peak   400 weight  0.10000E+01 volume  0.50062E-03 ppm1      8.740 ppm2      1.911 CV     1
 ASSI {  401}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HD1 ))
      3.500     1.500     1.500 peak   401 weight  0.10000E+01 volume  0.24900E-03 ppm1      8.735 ppm2      1.475 CV     1
 ASSI {  405}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      4.500     2.500     1.500 peak   405 weight  0.10000E+01 volume  0.23668E-03 ppm1      7.871 ppm2      2.293 CV     1
 ASSI {  406}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      6.000     5.200     0.000 peak   406 weight  0.10000E+01 volume  0.71863E-04 ppm1      7.872 ppm2      2.401 CV     1
 ASSI {  412}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      3.700     1.700     1.700 peak   412 weight  0.10000E+01 volume  0.92237E-03 ppm1      8.370 ppm2      3.986 CV     1
 ASSI {  415}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.400     1.400     1.400 peak   415 weight  0.86391E+00 volume  0.11063E-02 ppm1      8.370 ppm2      4.343 CV     1
 ASSI {  419}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.400     2.500     1.600 peak   419 weight  0.10000E+01 volume  0.21553E-03 ppm1      8.436 ppm2      2.496 CV     1
 ASSI {  420}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      5.300     3.500     0.700 peak   420 weight  0.92308E+00 volume  0.18887E-03 ppm1      8.436 ppm2      3.174 CV     1
 ASSI {  424}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
      5.300     3.500     0.700 peak   424 weight  0.10000E+01 volume  0.27883E-03 ppm1      8.955 ppm2      2.875 CV     1
 ASSI {  428}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.900     0.900 peak   428 weight  0.92308E+00 volume  0.23774E-02 ppm1      8.863 ppm2      4.608 CV     1
 ASSI {  429}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      4.500     2.600     1.500 peak   429 weight  0.10000E+01 volume  0.35546E-03 ppm1      8.864 ppm2      3.958 CV     1
 ASSI {  433}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HG2%)
      4.200     2.200     1.800 peak   433 weight  0.10000E+01 volume  0.38977E-03 ppm1      8.861 ppm2      1.128 CV     1
 ASSI {  438}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.000     0.500     0.500 peak   438 weight  0.86391E+00 volume  0.97987E-02 ppm1      9.312 ppm2      5.069 CV     1
 ASSI {  441}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.300     0.700     0.700 peak   441 weight  0.10000E+01 volume  0.82037E-02 ppm1      8.341 ppm2      4.439 CV     1
 ASSI {  442}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.400     1.400 peak   442 weight  0.10000E+01 volume  0.66574E-03 ppm1      8.856 ppm2      4.208 CV     1
 ASSI {  445}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HB% )
      3.400     1.400     1.400 peak   445 weight  0.10000E+01 volume  0.20455E-02 ppm1      8.854 ppm2      1.369 CV     1
 ASSI {  446}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.200     1.300     1.300 peak   446 weight  0.10000E+01 volume  0.90400E-03 ppm1      8.341 ppm2      2.197 CV     1
 ASSI {  447}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG1 ))
      4.300     2.300     1.700 peak   447 weight  0.10000E+01 volume  0.14586E-02 ppm1      8.341 ppm2      1.655 CV     1
 ASSI {  448}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.100     0.600     0.600 peak   448 weight  0.92308E+00 volume  0.50728E-02 ppm1      9.261 ppm2      5.110 CV     1
 ASSI {  452}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      3.400     1.500     1.500 peak   452 weight  0.10000E+01 volume  0.11091E-02 ppm1      8.856 ppm2      1.811 CV     1
 ASSI {  453}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HG1 ))
      4.200     2.200     1.800 peak   453 weight  0.10000E+01 volume  0.13607E-02 ppm1      8.855 ppm2      2.118 CV     1
 ASSI {  455}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.300     0.600     0.600 peak   455 weight  0.10000E+01 volume  0.56710E-02 ppm1      8.855 ppm2      4.833 CV     1
 ASSI {  460}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.100     0.500     0.500 peak   460 weight  0.92308E+00 volume  0.66056E-02 ppm1      8.249 ppm2      3.610 CV     1
 ASSI {  468}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      4.000     2.000     2.000 peak   468 weight  0.86391E+00 volume  0.70967E-03 ppm1      8.282 ppm2      1.267 CV     1
 ASSI {  469}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
      4.700     2.700     1.300 peak   469 weight  0.91537E+00 volume  0.40602E-04 ppm1      8.668 ppm2      0.749 CV     1
 ASSI {  471}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG11))
      4.800     2.900     1.200 peak   471 weight  0.10000E+01 volume  0.24888E-03 ppm1      8.676 ppm2      0.914 CV     1
 ASSI {  472}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      4.300     2.300     1.700 peak   472 weight  0.92308E+00 volume  0.30490E-03 ppm1      8.681 ppm2      0.584 CV     1
 ASSI {  473}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      3.600     1.600     1.600 peak   473 weight  0.92308E+00 volume  0.67663E-03 ppm1      8.671 ppm2      1.627 CV     1
 ASSI {  474}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.600     1.600     1.600 peak   474 weight  0.92308E+00 volume  0.11680E-02 ppm1      8.675 ppm2      4.075 CV     1
 ASSI {  479}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      5.200     3.300     0.800 peak   479 weight  0.92308E+00 volume  0.22367E-03 ppm1      8.248 ppm2      3.270 CV     1
 ASSI {  480}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      4.000     2.000     2.000 peak   480 weight  0.10000E+01 volume  0.79495E-03 ppm1      8.247 ppm2      3.104 CV     1
 ASSI {  484}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.100     0.500     0.500 peak   484 weight  0.92308E+00 volume  0.12392E-01 ppm1      8.251 ppm2      4.739 CV     1
 ASSI {  491}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      5.400     3.600     0.600 peak   491 weight  0.10000E+01 volume  0.92515E-04 ppm1      7.948 ppm2      1.765 CV     1
 ASSI {  492}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      5.100     3.300     0.900 peak   492 weight  0.10000E+01 volume  0.11690E-03 ppm1      7.951 ppm2      1.891 CV     1
 ASSI {  493}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG1 ))
      5.400     3.600     0.600 peak   493 weight  0.86391E+00 volume  0.14359E-03 ppm1      7.945 ppm2      2.068 CV     1
 ASSI {  502}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   502 weight  0.10000E+01 volume  0.54755E-03 ppm1      9.783 ppm2      5.267 CV     1
 ASSI {  504}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.300     1.400     1.400 peak   504 weight  0.10000E+01 volume  0.15483E-02 ppm1      9.287 ppm2      5.643 CV     1
 ASSI {  506}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.700     2.800     1.300 peak   506 weight  0.10000E+01 volume  0.37310E-03 ppm1      9.783 ppm2      8.452 CV     1
 ASSI {  508}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 16   and name HD% )
      4.000     2.000     2.000 peak   508 weight  0.10000E+01 volume  0.55073E-03 ppm1      9.784 ppm2      6.687 CV     1
 OR {  508}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 16   and name HD% )
 ASSI {  517}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 17   and name HB  ))
      4.900     3.000     1.100 peak   517 weight  0.10000E+01 volume  0.33175E-03 ppm1      9.782 ppm2      3.889 CV     1
 ASSI {  518}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      5.200     3.400     0.800 peak   518 weight  0.10000E+01 volume  0.21965E-03 ppm1      9.784 ppm2      5.023 CV     1
 ASSI {  519}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HD1 ))
      5.500     3.800     0.500 peak   519 weight  0.10000E+01 volume  0.14753E-03 ppm1      9.787 ppm2      3.754 CV     1
 ASSI {  521}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      5.100     3.300     0.900 peak   521 weight  0.10000E+01 volume  0.47777E-03 ppm1      9.784 ppm2      3.179 CV     1
 ASSI {  522}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      6.000     4.500     0.000 peak   522 weight  0.10000E+01 volume  0.88980E-04 ppm1      9.787 ppm2      4.687 CV     1
 ASSI {  523}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.400     1.500     1.500 peak   523 weight  0.92308E+00 volume  0.73892E-03 ppm1      9.782 ppm2      2.565 CV     1
 ASSI {  524}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.400     1.400     1.400 peak   524 weight  0.91679E+00 volume  0.29626E-03 ppm1      9.784 ppm2      2.751 CV     1
 ASSI {  525}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      3.600     1.600     1.600 peak   525 weight  0.10000E+01 volume  0.62312E-03 ppm1      9.784 ppm2      1.102 CV     1
 ASSI {  526}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      4.200     2.200     1.800 peak   526 weight  0.92308E+00 volume  0.78994E-03 ppm1      9.311 ppm2      1.813 CV     1
 ASSI {  527}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 57   and name HB1 ))
      5.000     3.100     1.000 peak   527 weight  0.92308E+00 volume  0.82198E-03 ppm1      9.267 ppm2      2.710 CV     1
 ASSI {  528}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      5.100     3.300     0.900 peak   528 weight  0.10000E+01 volume  0.20330E-03 ppm1      9.165 ppm2      5.264 CV     1
 ASSI {  529}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      4.400     2.400     1.600 peak   529 weight  0.10000E+01 volume  0.29571E-03 ppm1      9.167 ppm2      1.687 CV     1
 ASSI {  530}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 21   and name HG  ))
      3.300     1.400     1.400 peak   530 weight  0.10000E+01 volume  0.11557E-02 ppm1      9.164 ppm2      1.588 CV     1
 ASSI {  532}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.600     1.700     1.700 peak   532 weight  0.10000E+01 volume  0.18395E-03 ppm1      9.160 ppm2      0.933 CV     1
 ASSI {  533}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      3.400     1.500     1.500 peak   533 weight  0.92308E+00 volume  0.16532E-02 ppm1      9.164 ppm2      0.826 CV     1
 ASSI {  537}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      5.800     4.200     0.200 peak   537 weight  0.10000E+01 volume  0.14759E-03 ppm1      9.286 ppm2      0.914 CV     1
 ASSI {  538}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 20   and name HD1 ))
      4.400     2.400     1.600 peak   538 weight  0.10000E+01 volume  0.57994E-04 ppm1      9.164 ppm2      2.129 CV     1
 ASSI {  539}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.400     2.400     1.600 peak   539 weight  0.92308E+00 volume  0.59814E-04 ppm1      9.163 ppm2      1.177 CV     1
 ASSI {  540}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 58   and name HG2 ))
      4.300     2.300     1.700 peak   540 weight  0.10000E+01 volume  0.44838E-03 ppm1      8.954 ppm2      2.306 CV     1
 ASSI {  541}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.900     1.900     1.900 peak   541 weight  0.10000E+01 volume  0.10552E-02 ppm1      8.954 ppm2      5.104 CV     1
 ASSI {  544}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      3.800     1.800     1.800 peak   544 weight  0.92308E+00 volume  0.40527E-03 ppm1      8.836 ppm2      2.042 CV     1
 ASSI {  546}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 4    and name HG1%)
      4.100     2.100     1.900 peak   546 weight  0.92308E+00 volume  0.84832E-03 ppm1      8.839 ppm2      0.924 CV     1
 ASSI {  547}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.500     1.500     1.500 peak   547 weight  0.92308E+00 volume  0.55012E-03 ppm1      8.836 ppm2      4.351 CV     1
 ASSI {  549}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      4.400     2.400     1.600 peak   549 weight  0.82486E+00 volume  0.54751E-03 ppm1      8.828 ppm2      3.075 CV     1
 ASSI {  554}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      4.700     2.700     1.300 peak   554 weight  0.10000E+01 volume  0.40584E-03 ppm1      8.734 ppm2      3.187 CV     1
 ASSI {  556}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      4.800     2.900     1.200 peak   556 weight  0.90709E+00 volume  0.51146E-03 ppm1      8.739 ppm2      4.132 CV     1
 ASSI {  557}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      5.800     4.200     0.200 peak   557 weight  0.10000E+01 volume  0.15576E-03 ppm1      8.741 ppm2      2.495 CV     1
 ASSI {  561}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      5.800     4.200     0.200 peak   561 weight  0.10000E+01 volume  0.20113E-03 ppm1      8.741 ppm2      1.051 CV     1
 ASSI {  564}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     5.100     0.000 peak   564 weight  0.10000E+01 volume  0.10194E-03 ppm1      8.732 ppm2      3.847 CV     1
 ASSI {  568}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 55   and name HA1 ))
      4.700     2.800     1.300 peak   568 weight  0.92308E+00 volume  0.41133E-03 ppm1      8.669 ppm2      3.586 CV     1
 ASSI {  573}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.700     2.800     1.300 peak   573 weight  0.87023E+00 volume  0.35570E-03 ppm1      8.494 ppm2      4.924 CV     1
 ASSI {  577}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      4.500     2.500     1.500 peak   577 weight  0.10000E+01 volume  0.47964E-03 ppm1      8.462 ppm2      2.144 CV     1
 ASSI {  580}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 13   and name HD1 ))
      4.700     2.700     1.300 peak   580 weight  0.10000E+01 volume  0.73522E-03 ppm1      8.277 ppm2      3.677 CV     1
 ASSI {  583}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.100     0.600     0.600 peak   583 weight  0.92308E+00 volume  0.59348E-02 ppm1      9.282 ppm2      9.178 CV     1
 ASSI {  584}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.700     1.700     1.700 peak   584 weight  0.10000E+01 volume  0.31758E-03 ppm1      8.958 ppm2      7.206 CV     1
 ASSI {  600}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      4.000     2.000     2.000 peak   600 weight  0.10000E+01 volume  0.61716E-03 ppm1      8.732 ppm2      8.002 CV     1
 ASSI {  614}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 21   and name HD2%)
      5.400     3.700     0.600 peak   614 weight  0.10000E+01 volume  0.29274E-03 ppm1      7.690 ppm2      0.822 CV     1
 ASSI {  616}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.900     1.900     1.900 peak   616 weight  0.89741E+00 volume  0.67863E-03 ppm1      7.803 ppm2      2.972 CV     1
 ASSI {  617}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      4.000     2.000     2.000 peak   617 weight  0.91346E+00 volume  0.98810E-03 ppm1      7.804 ppm2      3.174 CV     1
 ASSI {  618}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.800     2.900     1.200 peak   618 weight  0.10000E+01 volume  0.23804E-03 ppm1      7.869 ppm2      2.489 CV     1
 ASSI {  619}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      4.400     2.400     1.600 peak   619 weight  0.10000E+01 volume  0.36226E-03 ppm1      7.870 ppm2      3.188 CV     1
 ASSI {  620}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HA1 ))
      5.800     4.200     0.200 peak   620 weight  0.10000E+01 volume  0.45013E-03 ppm1      7.873 ppm2      3.576 CV     1
 ASSI {  621}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HA2 ))
      5.200     3.300     0.800 peak   621 weight  0.10000E+01 volume  0.53232E-03 ppm1      7.876 ppm2      3.976 CV     1
 ASSI {  622}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.500     2.500     1.500 peak   622 weight  0.10000E+01 volume  0.95475E-03 ppm1      9.165 ppm2      8.460 CV     1
 ASSI {  623}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.400     2.400     1.600 peak   623 weight  0.10000E+01 volume  0.59970E-03 ppm1      9.164 ppm2      8.733 CV     1
 ASSI {  626}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.700     1.700     1.700 peak   626 weight  0.10000E+01 volume  0.65708E-03 ppm1      9.298 ppm2      8.075 CV     1
 ASSI {  629}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.600     2.700     1.400 peak   629 weight  0.10000E+01 volume  0.40880E-03 ppm1      9.311 ppm2      8.474 CV     1
 ASSI {  631}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      4.500     2.500     1.500 peak   631 weight  0.10000E+01 volume  0.13127E-03 ppm1      8.909 ppm2      7.668 CV     1
 ASSI {  633}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.400     1.500     1.500 peak   633 weight  0.92308E+00 volume  0.17382E-02 ppm1      9.299 ppm2      2.857 CV     1
 ASSI {  634}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 27   and name HA2 ))
      5.600     3.900     0.400 peak   634 weight  0.10000E+01 volume  0.18282E-03 ppm1      9.285 ppm2      4.479 CV     1
 ASSI {  635}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 27   and name HA1 ))
      5.200     3.400     0.800 peak   635 weight  0.10000E+01 volume  0.10341E-03 ppm1      9.285 ppm2      3.740 CV     1
 ASSI {  636}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.700     1.700     1.700 peak   636 weight  0.10000E+01 volume  0.37658E-03 ppm1      7.239 ppm2      8.735 CV     1
 ASSI {  643}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.200     0.600     0.600 peak   643 weight  0.86391E+00 volume  0.72717E-02 ppm1      8.159 ppm2      4.233 CV     1
 ASSI {  644}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG  ))
      5.700     4.100     0.300 peak   644 weight  0.92308E+00 volume  0.18016E-03 ppm1      8.157 ppm2      1.482 CV     1
 ASSI {  645}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      4.900     3.000     1.100 peak   645 weight  0.10000E+01 volume  0.28267E-03 ppm1      8.158 ppm2      1.572 CV     1
 ASSI {  648}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      4.700     2.800     1.300 peak   648 weight  0.92308E+00 volume  0.56227E-03 ppm1      8.161 ppm2      0.861 CV     1
 ASSI {  656}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.400     1.400 peak   656 weight  0.10000E+01 volume  0.12632E-02 ppm1      7.804 ppm2      4.487 CV     1
 ASSI {  659}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.500     1.600     1.600 peak   659 weight  0.10000E+01 volume  0.15103E-02 ppm1      8.167 ppm2      2.158 CV     1
 ASSI {  660}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 35   and name HG1%)
      4.200     2.200     1.800 peak   660 weight  0.10000E+01 volume  0.11900E-02 ppm1      8.174 ppm2      0.912 CV     1
 ASSI {  665}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.500     1.500     1.500 peak   665 weight  0.10000E+01 volume  0.72334E-03 ppm1      7.991 ppm2      1.690 CV     1
 OR {  665}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  666}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.600     1.600     1.600 peak   666 weight  0.92308E+00 volume  0.92729E-03 ppm1      7.989 ppm2      3.930 CV     1
 ASSI {  679}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      5.500     3.800     0.500 peak   679 weight  0.10000E+01 volume  0.30747E-03 ppm1      7.945 ppm2      3.250 CV     1
 ASSI {  684}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.200     1.300     1.300 peak   684 weight  0.92308E+00 volume  0.13951E-02 ppm1      7.943 ppm2      2.728 CV     1
 ASSI {  685}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.300     0.600     0.600 peak   685 weight  0.10000E+01 volume  0.78820E-02 ppm1      8.056 ppm2      4.196 CV     1
 ASSI {  694}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 20   and name HD1 ))
      3.700     1.700     1.700 peak   694 weight  0.92308E+00 volume  0.12902E-02 ppm1      7.437 ppm2      2.133 CV     1
 ASSI {  695}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 6    and name HB1 ))
      3.300     1.300     1.300 peak   695 weight  0.92308E+00 volume  0.35904E-03 ppm1      7.430 ppm2      2.224 CV     1
 ASSI {  696}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 7    and name HB1 ))
      2.900     1.000     1.000 peak   696 weight  0.10000E+01 volume  0.21774E-02 ppm1      7.331 ppm2      2.704 CV     1
 ASSI {  700}
   (( segid "    " and resid 26   and name HH2 ))
   (( segid "    " and resid 20   and name HB2 ))
      3.700     1.700     1.700 peak   700 weight  0.92308E+00 volume  0.15750E-03 ppm1      7.148 ppm2      1.183 CV     1
 ASSI {  703}
   (( segid "    " and resid 40   and name HD2 ))
   (  segid "    " and resid 41   and name HD1%)
      4.900     2.900     1.100 peak   703 weight  0.93289E+00 volume  0.24277E-03 ppm1      7.157 ppm2      0.739 CV     1
 ASSI {  705}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 20   and name HG1 ))
      5.000     3.100     1.000 peak   705 weight  0.10000E+01 volume  0.48325E-03 ppm1      7.436 ppm2      0.841 CV     1
 ASSI {  706}
   (( segid "    " and resid 26   and name HE3 ))
   (  segid "    " and resid 10   and name HG2%)
      4.800     2.900     1.200 peak   706 weight  0.10000E+01 volume  0.36306E-03 ppm1      7.429 ppm2      0.762 CV     1
 ASSI {  708}
   (( segid "    " and resid 26   and name HD1 ))
   (  segid "    " and resid 10   and name HG2%)
      4.500     2.600     1.500 peak   708 weight  0.10000E+01 volume  0.46184E-03 ppm1      7.331 ppm2      0.943 CV     1
 ASSI {  709}
   (( segid "    " and resid 26   and name HD1 ))
   (  segid "    " and resid 25   and name HB% )
      3.400     1.500     1.500 peak   709 weight  0.10000E+01 volume  0.27350E-03 ppm1      7.331 ppm2      1.322 CV     1
 ASSI {  711}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 9    and name HB1 ))
      4.100     2.100     1.900 peak   711 weight  0.92308E+00 volume  0.87100E-04 ppm1      7.331 ppm2      1.893 CV     1
 ASSI {  713}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 20   and name HD1 ))
      3.500     1.500     1.500 peak   713 weight  0.92308E+00 volume  0.56122E-03 ppm1      7.330 ppm2      2.133 CV     1
 ASSI {  714}
   (( segid "    " and resid 26   and name HH2 ))
   (( segid "    " and resid 20   and name HD1 ))
      3.600     1.600     1.600 peak   714 weight  0.10000E+01 volume  0.20594E-03 ppm1      7.147 ppm2      2.130 CV     1
 ASSI {  715}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 59   and name HA  ))
      3.800     1.800     1.800 peak   715 weight  0.10000E+01 volume  0.75529E-03 ppm1      7.293 ppm2      3.608 CV     1
 ASSI {  716}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 59   and name HA  ))
      2.900     1.100     1.100 peak   716 weight  0.10000E+01 volume  0.10743E-02 ppm1      6.891 ppm2      3.613 CV     1
 ASSI {  720}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 57   and name HB1 ))
      3.900     1.900     1.900 peak   720 weight  0.10000E+01 volume  0.11751E-02 ppm1      6.890 ppm2      2.989 CV     1
 ASSI {  722}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 57   and name HB2 ))
      3.100     1.200     1.200 peak   722 weight  0.92308E+00 volume  0.22101E-02 ppm1      6.891 ppm2      2.708 CV     1
 ASSI {  725}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 57   and name HB2 ))
      5.300     3.500     0.700 peak   725 weight  0.10000E+01 volume  0.37098E-03 ppm1      7.294 ppm2      2.712 CV     1
 ASSI {  726}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 45   and name HD1 ))
      6.000     4.400     0.000 peak   726 weight  0.10000E+01 volume  0.28384E-03 ppm1      7.296 ppm2      2.847 CV     1
 ASSI {  728}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 45   and name HB2 ))
      3.700     1.700     1.700 peak   728 weight  0.10000E+01 volume  0.48669E-03 ppm1      6.890 ppm2      2.200 CV     1
 ASSI {  730}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 59   and name HG1 ))
      4.100     2.100     1.900 peak   730 weight  0.10000E+01 volume  0.56597E-03 ppm1      6.891 ppm2      1.810 CV     1
 ASSI {  732}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 59   and name HB2 ))
      3.700     1.700     1.700 peak   732 weight  0.86391E+00 volume  0.22429E-02 ppm1      7.291 ppm2      1.653 CV     1
 ASSI {  733}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 59   and name HG2 ))
      2.900     1.000     1.000 peak   733 weight  0.86391E+00 volume  0.22562E-02 ppm1      7.290 ppm2      1.725 CV     1
 ASSI {  734}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 59   and name HG1 ))
      3.500     1.500     1.500 peak   734 weight  0.86391E+00 volume  0.78485E-03 ppm1      7.292 ppm2      1.817 CV     1
 ASSI {  735}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 59   and name HB1 ))
      3.900     1.900     1.900 peak   735 weight  0.10000E+01 volume  0.20668E-02 ppm1      7.291 ppm2      1.365 CV     1
 ASSI {  747}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 17   and name HB  ))
      3.000     1.100     1.100 peak   747 weight  0.10000E+01 volume  0.11723E-02 ppm1      7.086 ppm2      3.882 CV     1
 ASSI {  748}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 17   and name HB  ))
      3.100     1.200     1.200 peak   748 weight  0.10000E+01 volume  0.15789E-02 ppm1      7.243 ppm2      3.874 CV     1
 OR {  748}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 17   and name HB  ))
 ASSI {  749}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 30   and name HD2 ))
      5.000     3.100     1.000 peak   749 weight  0.92308E+00 volume  0.60179E-03 ppm1      6.762 ppm2      3.896 CV     1
 ASSI {  750}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 33   and name HB1 ))
      5.800     4.100     0.200 peak   750 weight  0.92308E+00 volume  0.19681E-03 ppm1      7.241 ppm2      1.881 CV     1
 OR {  750}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  751}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 33   and name HB2 ))
      5.500     3.800     0.500 peak   751 weight  0.92308E+00 volume  0.18684E-03 ppm1      7.245 ppm2      2.058 CV     1
 OR {  751}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {  752}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 33   and name HG2 ))
      4.400     2.400     1.600 peak   752 weight  0.10000E+01 volume  0.80226E-03 ppm1      7.241 ppm2      2.253 CV     1
 OR {  752}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 33   and name HG2 ))
 ASSI {  753}
   (  segid "    " and resid 31   and name HE% )
   (  segid "    " and resid 34   and name HB% )
      5.300     3.500     0.700 peak   753 weight  0.10000E+01 volume  0.21410E-03 ppm1      7.241 ppm2      1.246 CV     1
 OR {  753}
   (  segid "    " and resid 31   and name HE% )
   (  segid "    " and resid 34   and name HB% )
 ASSI {  755}
   (  segid "    " and resid 31   and name HD% )
   (  segid "    " and resid 17   and name HG2%)
      3.300     1.400     1.400 peak   755 weight  0.10000E+01 volume  0.18999E-02 ppm1      7.086 ppm2      1.099 CV     1
 OR {  755}
   (  segid "    " and resid 31   and name HD% )
   (  segid "    " and resid 17   and name HG2%)
 ASSI {  757}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.900     1.000     1.000 peak   757 weight  0.10000E+01 volume  0.17927E-02 ppm1      7.241 ppm2      1.690 CV     1
 ASSI {  760}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 12   and name HB2 ))
      5.400     3.600     0.600 peak   760 weight  0.80966E+00 volume  0.14383E-03 ppm1      6.680 ppm2      2.383 CV     1
 OR {  760}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  765}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 30   and name HD2 ))
      3.800     1.800     1.800 peak   765 weight  0.10000E+01 volume  0.20304E-02 ppm1      6.682 ppm2      3.895 CV     1
 ASSI {  772}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 28   and name HB1 ))
      2.100     0.600     0.600 peak   772 weight  0.92308E+00 volume  0.52683E-02 ppm1      6.683 ppm2      2.659 CV     1
 ASSI {  773}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 28   and name HB1 ))
      4.800     2.900     1.200 peak   773 weight  0.10000E+01 volume  0.44229E-03 ppm1      6.757 ppm2      2.656 CV     1
 ASSI {  776}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 30   and name HB2 ))
      4.200     2.200     1.800 peak   776 weight  0.10000E+01 volume  0.14988E-02 ppm1      6.683 ppm2      1.972 CV     1
 ASSI {  778}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 13   and name HG1 ))
      2.900     1.100     1.100 peak   778 weight  0.10000E+01 volume  0.91527E-03 ppm1      6.682 ppm2      1.739 CV     1
 ASSI {  779}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 13   and name HG1 ))
      3.100     1.200     1.200 peak   779 weight  0.92308E+00 volume  0.87831E-03 ppm1      6.757 ppm2      1.742 CV     1
 ASSI {  780}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 30   and name HG2 ))
      4.600     2.700     1.400 peak   780 weight  0.92308E+00 volume  0.12044E-02 ppm1      6.757 ppm2      1.808 CV     1
 ASSI {  787}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 28   and name HA  ))
      4.800     2.900     1.200 peak   787 weight  0.10000E+01 volume  0.39964E-03 ppm1      6.681 ppm2      5.642 CV     1
 ASSI {  788}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 14   and name HA  ))
      4.600     2.600     1.400 peak   788 weight  0.10000E+01 volume  0.30487E-03 ppm1      6.679 ppm2      4.470 CV     1
 ASSI {  789}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.400     1.400 peak   789 weight  0.10000E+01 volume  0.33282E-03 ppm1      6.684 ppm2      4.659 CV     1
 ASSI {  790}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 15   and name HA1 ))
      5.300     3.500     0.700 peak   790 weight  0.10000E+01 volume  0.42248E-03 ppm1      6.757 ppm2      4.220 CV     1
 ASSI {  791}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 47   and name HA1 ))
      2.900     1.100     1.100 peak   791 weight  0.10000E+01 volume  0.67393E-03 ppm1      6.891 ppm2      4.289 CV     1
 ASSI {  792}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 60   and name HA  ))
      5.900     4.400     0.100 peak   792 weight  0.10000E+01 volume  0.23556E-03 ppm1      6.890 ppm2      4.201 CV     1
 ASSI {  793}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 45   and name HA  ))
      3.700     1.700     1.700 peak   793 weight  0.10000E+01 volume  0.17085E-03 ppm1      6.889 ppm2      4.438 CV     1
 ASSI {  797}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 13   and name HD1 ))
      3.300     1.300     1.300 peak   797 weight  0.92308E+00 volume  0.76639E-03 ppm1      6.680 ppm2      3.696 CV     1
 ASSI {  798}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 15   and name HA2 ))
      4.600     2.700     1.400 peak   798 weight  0.10000E+01 volume  0.22229E-03 ppm1      6.756 ppm2      3.431 CV     1
 ASSI {  799}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 15   and name HA2 ))
      3.900     1.900     1.900 peak   799 weight  0.10000E+01 volume  0.49792E-03 ppm1      6.682 ppm2      3.429 CV     1
 ASSI {  806}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 26   and name HZ3 ))
      3.200     1.300     1.300 peak   806 weight  0.10000E+01 volume  0.67558E-03 ppm1      8.804 ppm2      6.806 CV     1
 ASSI {  808}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HD% )
      4.100     2.100     1.900 peak   808 weight  0.10000E+01 volume  0.74963E-03 ppm1      9.297 ppm2      6.688 CV     1
 OR {  808}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HD% )
 ASSI {  811}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 24   and name HA2 ))
      6.000     5.700     0.000 peak   811 weight  0.10000E+01 volume  0.72991E-04 ppm1      8.733 ppm2      3.335 CV     1
 ASSI {  812}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     6.000     0.000 peak   812 weight  0.10000E+01 volume  0.52004E-04 ppm1      8.730 ppm2      3.435 CV     1
 ASSI {  813}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      4.600     2.600     1.400 peak   813 weight  0.10000E+01 volume  0.10675E-03 ppm1      8.735 ppm2      7.673 CV     1
 ASSI {  814}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))
      5.300     3.500     0.700 peak   814 weight  0.92308E+00 volume  0.87583E-04 ppm1      8.910 ppm2      2.401 CV     1
 ASSI {  815}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))
      5.000     3.100     1.000 peak   815 weight  0.10000E+01 volume  0.66957E-04 ppm1      7.686 ppm2      2.409 CV     1
 ASSI {  816}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.700     1.700     1.700 peak   816 weight  0.10000E+01 volume  0.72660E-03 ppm1      7.692 ppm2      1.693 CV     1
 ASSI {  822}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak   822 weight  0.10000E+01 volume  0.89015E-03 ppm1      7.992 ppm2      7.683 CV     1
 ASSI {  388}
   (( segid "    " and resid 26   and name HD1 ))
   (  segid "    " and resid 10   and name HG1%)
      3.300     1.400     1.400 peak   388 weight  0.10000E+01 volume  0.31612E-03 ppm1      7.332 ppm2      0.749 CV     1
 ASSI {  390}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 10   and name HB  ))
      4.300     2.300     1.700 peak   390 weight  0.10000E+01 volume  0.35919E-03 ppm1      7.333 ppm2      1.769 CV     1
 ASSI {  393}
   (( segid "    " and resid 26   and name HZ2 ))
   (( segid "    " and resid 7    and name HB1 ))
      3.800     1.800     1.800 peak   393 weight  0.92308E+00 volume  0.14274E-03 ppm1      7.442 ppm2      2.701 CV     1
 ASSI {  394}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 25   and name HA  ))
      3.600     1.600     1.600 peak   394 weight  0.10000E+01 volume  0.86752E-03 ppm1      7.332 ppm2      4.286 CV     1
 ASSI {  395}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.000     1.000 peak   395 weight  0.92308E+00 volume  0.17428E-02 ppm1      7.433 ppm2      3.985 CV     1
 ASSI {  396}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 20   and name HA  ))
      5.800     4.200     0.200 peak   396 weight  0.10000E+01 volume  0.12937E-03 ppm1      7.332 ppm2      3.981 CV     1
 ASSI {  398}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 20   and name HG2 ))
      3.100     1.200     1.200 peak   398 weight  0.92308E+00 volume  0.87975E-03 ppm1      7.441 ppm2      0.907 CV     1
 ASSI {  399}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 20   and name HB2 ))
      3.200     1.300     1.300 peak   399 weight  0.10000E+01 volume  0.34414E-03 ppm1      7.436 ppm2      1.189 CV     1
 ASSI {  400}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 20   and name HB1 ))
      4.800     2.900     1.200 peak   400 weight  0.10000E+01 volume  0.41170E-03 ppm1      7.435 ppm2      1.323 CV     1
 ASSI {  407}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   407 weight  0.10000E+01 volume  0.17187E-02 ppm1      5.651 ppm2      5.261 CV     1
 ASSI {  408}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
      2.600     0.800     0.800 peak   408 weight  0.10000E+01 volume  0.18275E-02 ppm1      5.115 ppm2      4.766 CV     1
 ASSI {  409}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
      2.200     0.600     0.600 peak   409 weight  0.10000E+01 volume  0.44621E-02 ppm1      5.432 ppm2      3.884 CV     1
 ASSI {  410}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HD1 ))
      2.300     0.700     0.700 peak   410 weight  0.10000E+01 volume  0.41017E-02 ppm1      5.432 ppm2      3.752 CV     1
 ASSI {  411}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HD2 ))
      2.100     0.500     0.500 peak   411 weight  0.10000E+01 volume  0.46044E-02 ppm1      5.296 ppm2      3.675 CV     1
 ASSI {  412}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HD1 ))
      2.800     1.000     1.000 peak   412 weight  0.10000E+01 volume  0.31381E-02 ppm1      5.158 ppm2      3.750 CV     1
 ASSI {  413}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 30   and name HA  ))
      2.200     0.600     0.600 peak   413 weight  0.10000E+01 volume  0.38370E-02 ppm1      5.023 ppm2      3.889 CV     1
 ASSI {  414}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      2.000     0.500     0.500 peak   414 weight  0.10000E+01 volume  0.42051E-02 ppm1      4.848 ppm2      3.989 CV     1
 ASSI {  415}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
      2.600     0.800     0.800 peak   415 weight  0.10000E+01 volume  0.39209E-02 ppm1      4.935 ppm2      4.340 CV     1
 ASSI {  416}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   416 weight  0.10000E+01 volume  0.38474E-02 ppm1      5.063 ppm2      3.596 CV     1
 ASSI {  419}
   (( segid "    " and resid 26   and name HZ3 ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     1.100     1.100 peak   419 weight  0.10000E+01 volume  0.16719E-02 ppm1      6.795 ppm2      5.215 CV     1
 ASSI {  420}
   (( segid "    " and resid 26   and name HH2 ))
   (( segid "    " and resid 19   and name HA  ))
      3.600     1.600     1.600 peak   420 weight  0.10000E+01 volume  0.18446E-03 ppm1      7.147 ppm2      5.222 CV     1
 ASSI {  421}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 19   and name HA  ))
      3.800     1.800     1.800 peak   421 weight  0.92308E+00 volume  0.38961E-03 ppm1      7.434 ppm2      5.217 CV     1
 ASSI {  422}
   (( segid "    " and resid 26   and name HZ3 ))
   (( segid "    " and resid 20   and name HA  ))
      4.400     2.400     1.600 peak   422 weight  0.10000E+01 volume  0.48848E-03 ppm1      6.795 ppm2      3.982 CV     1
 ASSI {  428}
   (( segid "    " and resid 26   and name HZ3 ))
   (( segid "    " and resid 20   and name HB2 ))
      3.400     1.500     1.500 peak   428 weight  0.10000E+01 volume  0.24237E-03 ppm1      6.797 ppm2      1.191 CV     1
 ASSI {  429}
   (( segid "    " and resid 26   and name HZ3 ))
   (( segid "    " and resid 20   and name HB1 ))
      5.200     3.400     0.800 peak   429 weight  0.10000E+01 volume  0.13238E-03 ppm1      6.796 ppm2      1.331 CV     1
 ASSI {  431}
   (( segid "    " and resid 26   and name HH2 ))
   (( segid "    " and resid 20   and name HB1 ))
      5.300     3.500     0.700 peak   431 weight  0.10000E+01 volume  0.16373E-03 ppm1      7.143 ppm2      1.329 CV     1
 ASSI {  432}
   (( segid "    " and resid 26   and name HZ3 ))
   (( segid "    " and resid 20   and name HG1 ))
      4.600     2.600     1.400 peak   432 weight  0.92308E+00 volume  0.31055E-03 ppm1      6.793 ppm2      0.833 CV     1
 ASSI {  433}
   (( segid "    " and resid 26   and name HZ3 ))
   (( segid "    " and resid 20   and name HG2 ))
      3.100     1.200     1.200 peak   433 weight  0.86391E+00 volume  0.98366E-03 ppm1      6.797 ppm2      0.907 CV     1
 ASSI {  434}
   (( segid "    " and resid 26   and name HH2 ))
   (( segid "    " and resid 20   and name HG1 ))
      3.700     1.700     1.700 peak   434 weight  0.92308E+00 volume  0.48809E-03 ppm1      7.144 ppm2      0.847 CV     1
 ASSI {  435}
   (( segid "    " and resid 26   and name HH2 ))
   (( segid "    " and resid 20   and name HG2 ))
      3.200     1.300     1.300 peak   435 weight  0.92308E+00 volume  0.11258E-02 ppm1      7.145 ppm2      0.910 CV     1
 ASSI {  437}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 28   and name HA  ))
      6.000     6.000     0.000 peak   437 weight  0.10000E+01 volume  0.76034E-04 ppm1      6.760 ppm2      5.647 CV     1
 ASSI {  438}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 29   and name HA  ))
      3.400     1.500     1.500 peak   438 weight  0.10000E+01 volume  0.80940E-03 ppm1      6.685 ppm2      5.425 CV     1
 ASSI {  439}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 29   and name HA  ))
      4.500     2.500     1.500 peak   439 weight  0.10000E+01 volume  0.60253E-03 ppm1      6.757 ppm2      5.424 CV     1
 ASSI {  440}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 12   and name HA  ))
      4.700     2.700     1.300 peak   440 weight  0.10000E+01 volume  0.37556E-03 ppm1      6.685 ppm2      5.291 CV     1
 ASSI {  441}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 12   and name HA  ))
      5.700     4.100     0.300 peak   441 weight  0.10000E+01 volume  0.21727E-03 ppm1      6.757 ppm2      5.293 CV     1
 ASSI {  447}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
      4.100     2.100     1.900 peak   447 weight  0.10000E+01 volume  0.80748E-04 ppm1      6.755 ppm2      4.458 CV     1
 ASSI {  448}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 15   and name HA1 ))
      4.600     2.600     1.400 peak   448 weight  0.10000E+01 volume  0.71711E-03 ppm1      6.685 ppm2      4.205 CV     1
 ASSI {  452}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 30   and name HD1 ))
      3.200     1.300     1.300 peak   452 weight  0.92308E+00 volume  0.92855E-03 ppm1      6.757 ppm2      3.753 CV     1
 ASSI {  453}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 30   and name HD1 ))
      3.100     1.200     1.200 peak   453 weight  0.92308E+00 volume  0.81654E-03 ppm1      6.685 ppm2      3.750 CV     1
 ASSI {  454}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 13   and name HD2 ))
      3.300     1.400     1.400 peak   454 weight  0.92308E+00 volume  0.66278E-03 ppm1      6.684 ppm2      3.674 CV     1
 ASSI {  455}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 13   and name HD2 ))
      4.200     2.200     1.800 peak   455 weight  0.92308E+00 volume  0.33617E-03 ppm1      6.756 ppm2      3.676 CV     1
 ASSI {  460}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 29   and name HB2 ))
      5.100     3.200     0.900 peak   460 weight  0.92308E+00 volume  0.35705E-03 ppm1      6.684 ppm2      2.868 CV     1
 OR {  460}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 29   and name HB1 ))
 ASSI {  462}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 13   and name HD1 ))
      3.600     1.600     1.600 peak   462 weight  0.10000E+01 volume  0.18723E-03 ppm1      6.756 ppm2      2.949 CV     1
 ASSI {  464}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 12   and name HB1 ))
      5.200     3.400     0.800 peak   464 weight  0.92308E+00 volume  0.90478E-03 ppm1      6.685 ppm2      2.726 CV     1
 ASSI {  465}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 12   and name HB1 ))
      6.000     6.000     0.000 peak   465 weight  0.92308E+00 volume  0.19335E-03 ppm1      6.754 ppm2      2.727 CV     1
 ASSI {  471}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 28   and name HB2 ))
      3.400     1.500     1.500 peak   471 weight  0.92308E+00 volume  0.20044E-02 ppm1      6.684 ppm2      2.663 CV     1
 ASSI {  472}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 12   and name HB2 ))
      4.500     2.500     1.500 peak   472 weight  0.10000E+01 volume  0.40634E-03 ppm1      6.685 ppm2      2.362 CV     1
 ASSI {  473}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 13   and name HB1 ))
      4.000     2.000     2.000 peak   473 weight  0.10000E+01 volume  0.50328E-03 ppm1      6.686 ppm2      2.214 CV     1
 ASSI {  474}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 13   and name HB2 ))
      3.400     1.400     1.400 peak   474 weight  0.10000E+01 volume  0.27345E-03 ppm1      6.757 ppm2      2.216 CV     1
 OR {  474}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  476}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 30   and name HB1 ))
      2.900     1.000     1.000 peak   476 weight  0.10000E+01 volume  0.20284E-02 ppm1      6.757 ppm2      1.950 CV     1
 ASSI {  477}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 30   and name HG1 ))
      5.100     3.300     0.900 peak   477 weight  0.92308E+00 volume  0.56640E-03 ppm1      6.686 ppm2      1.799 CV     1
 ASSI {  478}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 30   and name HG1 ))
      4.600     2.600     1.400 peak   478 weight  0.92308E+00 volume  0.11850E-02 ppm1      6.757 ppm2      1.797 CV     1
 ASSI {  479}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 13   and name HG2 ))
      2.700     0.900     0.900 peak   479 weight  0.92308E+00 volume  0.15938E-02 ppm1      6.756 ppm2      1.736 CV     1
 ASSI {  480}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 13   and name HG2 ))
      2.700     0.900     0.900 peak   480 weight  0.92308E+00 volume  0.13588E-02 ppm1      6.685 ppm2      1.725 CV     1
 ASSI {  494}
   (  segid "    " and resid 31   and name HE% )
   (  segid "    " and resid 17   and name HG2%)
      3.300     1.300     1.300 peak   494 weight  0.10000E+01 volume  0.22783E-02 ppm1      7.084 ppm2      1.089 CV     1
 ASSI {  496}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 17   and name HB  ))
      3.400     1.400     1.400 peak   496 weight  0.10000E+01 volume  0.79669E-03 ppm1      7.238 ppm2      3.864 CV     1
 ASSI {  498}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 33   and name HB1 ))
      5.000     3.100     1.000 peak   498 weight  0.10000E+01 volume  0.31073E-03 ppm1      7.239 ppm2      2.049 CV     1
 ASSI {  501}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 33   and name HG2 ))
      4.800     2.900     1.200 peak   501 weight  0.10000E+01 volume  0.42766E-03 ppm1      7.238 ppm2      2.256 CV     1
 ASSI {  502}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 33   and name HB2 ))
      5.400     3.600     0.600 peak   502 weight  0.10000E+01 volume  0.27260E-03 ppm1      7.238 ppm2      1.873 CV     1
 ASSI {  507}
   (  segid "    " and resid 31   and name HE% )
   (  segid "    " and resid 34   and name HB% )
      4.700     2.700     1.300 peak   507 weight  0.92308E+00 volume  0.41513E-03 ppm1      7.238 ppm2      1.261 CV     1
 ASSI {  516}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 34   and name HA  ))
      4.600     2.600     1.400 peak   516 weight  0.10000E+01 volume  0.36580E-03 ppm1      7.238 ppm2      4.327 CV     1
 ASSI {  520}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 17   and name HA  ))
      3.900     1.900     1.900 peak   520 weight  0.10000E+01 volume  0.10859E-03 ppm1      7.236 ppm2      4.659 CV     1
 ASSI {  521}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 16   and name HA  ))
      4.800     2.900     1.200 peak   521 weight  0.10000E+01 volume  0.13353E-03 ppm1      7.084 ppm2      5.018 CV     1
 ASSI {  522}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 16   and name HA  ))
      4.300     2.400     1.700 peak   522 weight  0.96891E+00 volume  0.60649E-04 ppm1      7.237 ppm2      5.023 CV     1
 ASSI {  532}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 45   and name HD2 ))
      4.100     2.100     1.900 peak   532 weight  0.10000E+01 volume  0.13425E-02 ppm1      6.892 ppm2      2.834 CV     1
 ASSI {  535}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 45   and name HD1 ))
      3.500     1.500     1.500 peak   535 weight  0.10000E+01 volume  0.21835E-03 ppm1      6.893 ppm2      3.750 CV     1
 ASSI {  538}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 45   and name HB1 ))
      4.500     2.600     1.500 peak   538 weight  0.10000E+01 volume  0.76299E-03 ppm1      6.892 ppm2      1.311 CV     1
 ASSI {  539}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 45   and name HG2 ))
      3.400     1.500     1.500 peak   539 weight  0.92308E+00 volume  0.20210E-02 ppm1      6.892 ppm2      1.641 CV     1
 OR {  539}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 45   and name HG1 ))
 OR {  539}
   (( segid "    " and resid 48   and name HZ  ))
   (( segid "    " and resid 45   and name HG1 ))
 ASSI {  545}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 59   and name HG2 ))
      4.200     2.200     1.800 peak   545 weight  0.92308E+00 volume  0.55765E-03 ppm1      6.891 ppm2      1.702 CV     1
 ASSI {  547}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 59   and name HB1 ))
      4.700     2.800     1.300 peak   547 weight  0.92308E+00 volume  0.64171E-03 ppm1      6.894 ppm2      1.365 CV     1
 ASSI {  548}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 45   and name HB2 ))
      3.700     1.700     1.700 peak   548 weight  0.10000E+01 volume  0.27503E-03 ppm1      7.287 ppm2      2.178 CV     1
 ASSI {  549}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 57   and name HB1 ))
      6.000     4.700     0.000 peak   549 weight  0.10000E+01 volume  0.15791E-03 ppm1      7.289 ppm2      2.976 CV     1
 ASSI {  550}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.400     1.400 peak   550 weight  0.10000E+01 volume  0.30864E-03 ppm1      6.893 ppm2      4.188 CV     1
 OR {  550}
   (( segid "    " and resid 48   and name HZ  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  551}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 47   and name HA1 ))
      3.600     1.600     1.600 peak   551 weight  0.10000E+01 volume  0.42984E-03 ppm1      6.891 ppm2      4.275 CV     1
 OR {  551}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 47   and name HA2 ))
 ASSI {  552}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 46   and name HA  ))
      3.900     1.900     1.900 peak   552 weight  0.10000E+01 volume  0.12297E-03 ppm1      7.291 ppm2      4.188 CV     1
 ASSI {  553}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 47   and name HA1 ))
      3.600     1.600     1.600 peak   553 weight  0.10000E+01 volume  0.18234E-03 ppm1      7.285 ppm2      4.274 CV     1
 ASSI {  556}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak   556 weight  0.10000E+01 volume  0.12254E-02 ppm1      6.893 ppm2      4.824 CV     1
 ASSI {  557}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 58   and name HA  ))
      4.000     2.000     2.000 peak   557 weight  0.10000E+01 volume  0.58316E-03 ppm1      7.288 ppm2      4.823 CV     1
 ASSI {  560}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 57   and name HA  ))
      5.400     3.700     0.600 peak   560 weight  0.92308E+00 volume  0.32562E-03 ppm1      6.893 ppm2      5.138 CV     1
 ASSI {  561}
   (( segid "    " and resid 40   and name HD2 ))
   (  segid "    " and resid 41   and name HG2%)
      4.700     2.800     1.300 peak   561 weight  0.10000E+01 volume  0.36008E-03 ppm1      7.149 ppm2      0.583 CV     1
 ASSI {  563}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 41   and name HG12))
      5.600     3.900     0.400 peak   563 weight  0.10000E+01 volume  0.11963E-03 ppm1      7.147 ppm2      1.113 CV     1
 ASSI {  564}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 41   and name HB  ))
      5.800     4.200     0.200 peak   564 weight  0.85326E+00 volume  0.55352E-04 ppm1      7.151 ppm2      1.628 CV     1
 ASSI {  575}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      5.700     4.100     0.300 peak   575 weight  0.10000E+01 volume  0.32484E-03 ppm1      5.654 ppm2      3.161 CV     1
 ASSI {  578}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      4.400     2.400     1.600 peak   578 weight  0.10000E+01 volume  0.11726E-03 ppm1      5.654 ppm2      2.369 CV     1
 ASSI {  579}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.600     1.600     1.600 peak   579 weight  0.92308E+00 volume  0.73683E-03 ppm1      5.649 ppm2      2.560 CV     1
 ASSI {  580}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      4.800     2.800     1.200 peak   580 weight  0.92308E+00 volume  0.29310E-03 ppm1      5.651 ppm2      2.732 CV     1
 ASSI {  581}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 17   and name HG2%)
      6.000     4.600     0.000 peak   581 weight  0.10000E+01 volume  0.11514E-03 ppm1      5.644 ppm2      1.093 CV     1
 ASSI {  583}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 10   and name HG1%)
      4.600     2.600     1.400 peak   583 weight  0.83190E+00 volume  0.42595E-04 ppm1      5.654 ppm2      0.750 CV     1
 ASSI {  585}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      5.300     3.500     0.700 peak   585 weight  0.92308E+00 volume  0.10711E-02 ppm1      5.432 ppm2      2.013 CV     1
 ASSI {  586}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.800     2.900     1.200 peak   586 weight  0.92308E+00 volume  0.83312E-03 ppm1      5.432 ppm2      1.947 CV     1
 ASSI {  587}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
      6.000     4.700     0.000 peak   587 weight  0.92308E+00 volume  0.27195E-03 ppm1      5.432 ppm2      1.746 CV     1
 ASSI {  588}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     5.300     0.000 peak   588 weight  0.92308E+00 volume  0.18212E-03 ppm1      5.432 ppm2      1.801 CV     1
 ASSI {  589}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.300     1.400     1.400 peak   589 weight  0.10000E+01 volume  0.87653E-03 ppm1      5.294 ppm2      3.159 CV     1
 ASSI {  590}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      4.200     2.200     1.800 peak   590 weight  0.10000E+01 volume  0.29443E-03 ppm1      5.294 ppm2      2.561 CV     1
 ASSI {  591}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      4.200     2.200     1.800 peak   591 weight  0.92308E+00 volume  0.74458E-03 ppm1      5.293 ppm2      2.667 CV     1
 ASSI {  592}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
      5.400     3.700     0.600 peak   592 weight  0.10000E+01 volume  0.38725E-03 ppm1      5.295 ppm2      1.715 CV     1
 ASSI {  593}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HG1 ))
      6.000     4.800     0.000 peak   593 weight  0.10000E+01 volume  0.21103E-03 ppm1      5.294 ppm2      1.492 CV     1
 ASSI {  594}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      4.800     2.900     1.200 peak   594 weight  0.10000E+01 volume  0.23965E-03 ppm1      5.292 ppm2      4.655 CV     1
 ASSI {  595}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HD1 ))
      2.300     0.700     0.700 peak   595 weight  0.92308E+00 volume  0.41427E-02 ppm1      5.295 ppm2      2.963 CV     1
 ASSI {  596}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      6.000     4.600     0.000 peak   596 weight  0.10000E+01 volume  0.16961E-03 ppm1      5.294 ppm2      1.973 CV     1
 ASSI {  597}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
      6.000     5.400     0.000 peak   597 weight  0.10000E+01 volume  0.19233E-03 ppm1      5.297 ppm2      2.216 CV     1
 ASSI {  599}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 10   and name HG1%)
      3.900     1.900     1.900 peak   599 weight  0.10000E+01 volume  0.48399E-03 ppm1      5.267 ppm2      0.752 CV     1
 ASSI {  600}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      6.000     5.400     0.000 peak   600 weight  0.91042E+00 volume  0.20249E-03 ppm1      5.222 ppm2      3.124 CV     1
 ASSI {  602}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 17   and name HG2%)
      4.400     2.400     1.600 peak   602 weight  0.10000E+01 volume  0.30595E-03 ppm1      5.225 ppm2      1.095 CV     1
 ASSI {  603}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      4.600     2.700     1.400 peak   603 weight  0.10000E+01 volume  0.52309E-03 ppm1      5.156 ppm2      3.386 CV     1
 ASSI {  604}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     5.900     0.000 peak   604 weight  0.10000E+01 volume  0.13251E-03 ppm1      5.155 ppm2      2.557 CV     1
 ASSI {  605}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      6.000     4.800     0.000 peak   605 weight  0.10000E+01 volume  0.33074E-03 ppm1      5.157 ppm2      1.304 CV     1
 ASSI {  606}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
      5.000     3.100     1.000 peak   606 weight  0.10000E+01 volume  0.59417E-03 ppm1      5.158 ppm2      1.637 CV     1
 ASSI {  607}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      6.000     6.000     0.000 peak   607 weight  0.10000E+01 volume  0.12276E-03 ppm1      5.156 ppm2      2.192 CV     1
 ASSI {  608}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HG2 ))
      4.500     2.600     1.500 peak   608 weight  0.10000E+01 volume  0.30077E-03 ppm1      5.115 ppm2      2.294 CV     1
 ASSI {  609}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 56   and name HA  ))
      5.200     3.400     0.800 peak   609 weight  0.10000E+01 volume  0.22272E-03 ppm1      5.114 ppm2      4.565 CV     1
 ASSI {  610}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HA  ))
      4.800     2.800     1.200 peak   610 weight  0.92308E+00 volume  0.33175E-03 ppm1      5.114 ppm2      4.824 CV     1
 ASSI {  612}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 50   and name HB1 ))
      4.100     2.100     1.900 peak   612 weight  0.92308E+00 volume  0.10578E-02 ppm1      5.118 ppm2      3.042 CV     1
 ASSI {  614}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 49   and name HG2%)
      5.300     3.500     0.700 peak   614 weight  0.92308E+00 volume  0.36911E-03 ppm1      5.063 ppm2      1.114 CV     1
 ASSI {  615}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 60   and name HG1 ))
      4.400     2.400     1.600 peak   615 weight  0.10000E+01 volume  0.51891E-03 ppm1      5.062 ppm2      1.265 CV     1
 OR {  615}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  616}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
      5.100     3.200     0.900 peak   616 weight  0.10000E+01 volume  0.41420E-03 ppm1      5.063 ppm2      1.352 CV     1
 ASSI {  618}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      5.500     3.800     0.500 peak   618 weight  0.10000E+01 volume  0.28825E-03 ppm1      5.065 ppm2      1.635 CV     1
 ASSI {  619}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
      5.300     3.500     0.700 peak   619 weight  0.10000E+01 volume  0.28292E-03 ppm1      5.062 ppm2      1.710 CV     1
 ASSI {  620}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
      5.000     3.100     1.000 peak   620 weight  0.92308E+00 volume  0.31122E-03 ppm1      5.060 ppm2      1.805 CV     1
 ASSI {  621}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
      5.300     3.600     0.700 peak   621 weight  0.92308E+00 volume  0.49531E-03 ppm1      5.064 ppm2      2.833 CV     1
 ASSI {  623}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 44   and name HB1 ))
      5.000     3.100     1.000 peak   623 weight  0.92308E+00 volume  0.52792E-03 ppm1      5.070 ppm2      2.700 CV     1
 ASSI {  627}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 17   and name HG2%)
      4.900     3.000     1.100 peak   627 weight  0.10000E+01 volume  0.43685E-03 ppm1      5.022 ppm2      1.092 CV     1
 ASSI {  628}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
      5.500     3.800     0.500 peak   628 weight  0.92308E+00 volume  0.55151E-03 ppm1      5.021 ppm2      1.743 CV     1
 ASSI {  629}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      5.500     3.800     0.500 peak   629 weight  0.86391E+00 volume  0.52753E-03 ppm1      5.020 ppm2      1.797 CV     1
 ASSI {  630}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      5.600     3.900     0.400 peak   630 weight  0.10000E+01 volume  0.70518E-03 ppm1      5.018 ppm2      2.665 CV     1
 ASSI {  631}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      5.600     3.900     0.400 peak   631 weight  0.86391E+00 volume  0.44416E-03 ppm1      5.021 ppm2      2.728 CV     1
 ASSI {  632}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      5.100     3.300     0.900 peak   632 weight  0.10000E+01 volume  0.67314E-03 ppm1      5.021 ppm2      2.866 CV     1
 ASSI {  633}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 13   and name HD2 ))
      4.000     2.000     2.000 peak   633 weight  0.92308E+00 volume  0.11489E-02 ppm1      5.012 ppm2      3.668 CV     1
 ASSI {  634}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 10   and name HG1%)
      4.200     2.200     1.800 peak   634 weight  0.10000E+01 volume  0.36434E-03 ppm1      4.936 ppm2      0.751 CV     1
 ASSI {  637}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      5.800     4.200     0.200 peak   637 weight  0.10000E+01 volume  0.68281E-04 ppm1      4.936 ppm2      1.706 CV     1
 ASSI {  638}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
      5.900     4.400     0.100 peak   638 weight  0.10000E+01 volume  0.18163E-03 ppm1      4.938 ppm2      2.212 CV     1
 ASSI {  640}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 4    and name HB  ))
      6.000     6.000     0.000 peak   640 weight  0.54354E+00 volume  0.74323E-05 ppm1      4.940 ppm2      2.013 CV     1
 ASSI {  641}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.300     1.400     1.400 peak   641 weight  0.99371E+00 volume  0.30866E-03 ppm1      4.846 ppm2      1.583 CV     1
 ASSI {  642}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      5.100     3.200     0.900 peak   642 weight  0.10000E+01 volume  0.62769E-03 ppm1      4.847 ppm2      1.319 CV     1
 ASSI {  644}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      3.800     1.800     1.800 peak   644 weight  0.10000E+01 volume  0.84240E-03 ppm1      4.849 ppm2      0.818 CV     1
 ASSI {  645}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 10   and name HG1%)
      6.000     4.700     0.000 peak   645 weight  0.10000E+01 volume  0.11812E-03 ppm1      4.850 ppm2      0.752 CV     1
 ASSI {  646}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 20   and name HD2 ))
      5.600     4.000     0.400 peak   646 weight  0.10000E+01 volume  0.14903E-03 ppm1      4.844 ppm2      2.360 CV     1
 ASSI {  648}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
      5.100     3.300     0.900 peak   648 weight  0.10000E+01 volume  0.52204E-03 ppm1      4.810 ppm2      1.229 CV     1
 ASSI {  653}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 4    and name HG1%)
      4.300     2.400     1.700 peak   653 weight  0.10000E+02 volume  0.13228E-03 ppm1      4.668 ppm2      0.904 CV     1
 OR {  653}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
 ASSI {  654}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.700     1.700     1.700 peak   654 weight  0.10000E+01 volume  0.54629E-03 ppm1      4.667 ppm2      2.366 CV     1
 OR {  654}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  655}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.900     1.900     1.900 peak   655 weight  0.10000E+01 volume  0.35461E-03 ppm1      4.667 ppm2      2.733 CV     1
 ASSI {  656}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      5.700     4.100     0.300 peak   656 weight  0.10000E+01 volume  0.23595E-03 ppm1      4.667 ppm2      2.868 CV     1
 ASSI {  657}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.700     2.800     1.300 peak   657 weight  0.10000E+01 volume  0.22124E-03 ppm1      4.665 ppm2      3.160 CV     1
 ASSI {  658}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      5.400     3.700     0.600 peak   658 weight  0.92308E+00 volume  0.65386E-03 ppm1      4.628 ppm2      0.921 CV     1
 ASSI {  659}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      4.500     2.500     1.500 peak   659 weight  0.10000E+01 volume  0.26625E-03 ppm1      4.600 ppm2      2.701 CV     1
 ASSI {  664}
   (( segid "    " and resid 27   and name HA2 ))
   (( segid "    " and resid 21   and name HG  ))
      3.800     1.800     1.800 peak   664 weight  0.92308E+00 volume  0.95088E-03 ppm1      4.475 ppm2      1.583 CV     1
 ASSI {  669}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.300     2.300     1.700 peak   669 weight  0.10000E+01 volume  0.11728E-02 ppm1      4.345 ppm2      3.674 CV     1
 ASSI {  670}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.100     2.100     1.900 peak   670 weight  0.10000E+01 volume  0.12247E-02 ppm1      4.345 ppm2      3.604 CV     1
 ASSI {  676}
   (( segid "    " and resid 27   and name HA1 ))
   (  segid "    " and resid 21   and name HD1%)
      2.500     0.800     0.800 peak   676 weight  0.10000E+01 volume  0.49614E-02 ppm1      3.744 ppm2      0.813 CV     1
 ASSI {  677}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 10   and name HG1%)
      3.200     1.300     1.300 peak   677 weight  0.10000E+01 volume  0.11561E-02 ppm1      3.118 ppm2      0.751 CV     1
 ASSI {  678}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 10   and name HG1%)
      3.300     1.300     1.300 peak   678 weight  0.10000E+01 volume  0.16077E-02 ppm1      2.931 ppm2      0.752 CV     1
 ASSI {  679}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 10   and name HG2%)
      3.800     1.800     1.800 peak   679 weight  0.10000E+01 volume  0.10727E-02 ppm1      2.933 ppm2      0.945 CV     1
 ASSI {  680}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 17   and name HG2%)
      2.600     0.900     0.900 peak   680 weight  0.10000E+01 volume  0.38351E-02 ppm1      2.872 ppm2      1.094 CV     1
 ASSI {  681}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 10   and name HG2%)
      3.000     1.100     1.100 peak   681 weight  0.10000E+01 volume  0.10613E-02 ppm1      3.119 ppm2      0.943 CV     1
 ASSI {  682}
   (( segid "    " and resid 19   and name HB1 ))
   (  segid "    " and resid 17   and name HG2%)
      4.500     2.600     1.500 peak   682 weight  0.10000E+01 volume  0.64772E-03 ppm1      3.187 ppm2      1.094 CV     1
 ASSI {  683}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 17   and name HG2%)
      3.600     1.600     1.600 peak   683 weight  0.10000E+01 volume  0.56144E-03 ppm1      3.423 ppm2      1.092 CV     1
 ASSI {  687}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 17   and name HG2%)
      3.100     1.200     1.200 peak   687 weight  0.86391E+00 volume  0.23245E-02 ppm1      2.927 ppm2      1.094 CV     1
 ASSI {  690}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.700     0.900     0.900 peak   690 weight  0.10000E+01 volume  0.15096E-02 ppm1      3.166 ppm2      2.366 CV     1
 ASSI {  701}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
      6.000     6.000     0.000 peak   701 weight  0.83532E+00 volume  0.41106E-04 ppm1      3.956 ppm2      2.878 CV     1
 ASSI {  706}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 6    and name HB1 ))
      3.100     1.200     1.200 peak   706 weight  0.86391E+00 volume  0.12515E-02 ppm1      2.928 ppm2      2.119 CV     1
 ASSI {  707}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.900     1.100     1.100 peak   707 weight  0.86391E+00 volume  0.18591E-02 ppm1      2.928 ppm2      2.189 CV     1
 ASSI {  708}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 6    and name HB1 ))
      3.600     1.600     1.600 peak   708 weight  0.86391E+00 volume  0.15048E-02 ppm1      2.896 ppm2      2.118 CV     1
 ASSI {  709}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.700     0.900     0.900 peak   709 weight  0.86391E+00 volume  0.25800E-02 ppm1      2.896 ppm2      2.179 CV     1
 ASSI {  710}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 6    and name HB1 ))
      5.900     4.300     0.100 peak   710 weight  0.10000E+01 volume  0.16734E-03 ppm1      5.262 ppm2      2.123 CV     1
 ASSI {  711}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      5.100     3.300     0.900 peak   711 weight  0.86391E+00 volume  0.17237E-03 ppm1      5.267 ppm2      2.204 CV     1
 ASSI {  713}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 6    and name HB1 ))
      3.400     1.500     1.500 peak   713 weight  0.92308E+00 volume  0.75581E-03 ppm1      3.117 ppm2      2.116 CV     1
 ASSI {  714}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 6    and name HB2 ))
      3.700     1.700     1.700 peak   714 weight  0.92308E+00 volume  0.65926E-03 ppm1      3.121 ppm2      2.195 CV     1
 ASSI {  717}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 10   and name HB  ))
      3.800     1.800     1.800 peak   717 weight  0.10000E+01 volume  0.22919E-03 ppm1      3.116 ppm2      1.767 CV     1
 ASSI {  718}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 10   and name HB  ))
      3.900     1.900     1.900 peak   718 weight  0.10000E+01 volume  0.11173E-02 ppm1      2.933 ppm2      1.768 CV     1
 ASSI {  721}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 4    and name HG2%)
      4.400     2.400     1.600 peak   721 weight  0.10000E+01 volume  0.36848E-03 ppm1      2.731 ppm2      0.911 CV     1
 OR {  721}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 4    and name HG1%)
 ASSI {  725}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 4    and name HB  ))
      2.900     1.100     1.100 peak   725 weight  0.10000E+01 volume  0.77466E-03 ppm1      2.734 ppm2      2.024 CV     1
 ASSI {  726}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 10   and name HG1%)
      3.100     1.200     1.200 peak   726 weight  0.92308E+00 volume  0.11209E-02 ppm1      2.198 ppm2      0.751 CV     1
 ASSI {  727}
   (( segid "    " and resid 6    and name HB1 ))
   (  segid "    " and resid 10   and name HG1%)
      3.900     1.900     1.900 peak   727 weight  0.92308E+00 volume  0.12088E-02 ppm1      2.120 ppm2      0.750 CV     1
 ASSI {  771}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 41   and name HG2%)
      4.200     2.200     1.800 peak   771 weight  0.10000E+01 volume  0.45161E-03 ppm1      3.111 ppm2      0.581 CV     1
 ASSI {  777}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 55   and name HA2 ))
      4.800     2.900     1.200 peak   777 weight  0.10000E+01 volume  0.18414E-03 ppm1      0.873 ppm2      3.561 CV     1
 ASSI {  782}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 42   and name HB2 ))
      4.600     2.700     1.400 peak   782 weight  0.10000E+01 volume  0.18239E-03 ppm1      0.587 ppm2      3.242 CV     1



! Phi:
assign (resid   55 and name C)
       (resid   56 and name N)
       (resid   56 and name CA)
       (resid   56 and name C)
       1.0 -120  37 2
assign (resid   28 and name C)
       (resid   29 and name N)
       (resid   29 and name CA)
       (resid   29 and name C)
       1.0 -120  37 2
assign (resid   18 and name C)
       (resid   19 and name N)
       (resid   19 and name CA)
       (resid   19 and name C)
       1.0 -120  40 2
assign (resid   16 and name C)
       (resid   17 and name N)
       (resid   17 and name CA)
       (resid   17 and name C)
       1.0 -120  40 2
assign (resid   15 and name C)
       (resid   16 and name N)
       (resid   16 and name CA)
       (resid   16 and name C)
       1.0 -120  30 2
assign (resid   27 and name C)
       (resid   28 and name N)
       (resid   28 and name CA)
       (resid   28 and name C)
       1.0 -120  34 2
assign (resid   47 and name C)
       (resid   48 and name N)
       (resid   48 and name CA)
       (resid   48 and name C)
       1.0 -120  37 2
!assign (resid   22 and name C)
!       (resid   23 and name N)
!       (resid   23 and name CA)
!       (resid   23 and name C)
!       1.0  60  140 2
assign (resid   13 and name C)
       (resid   14 and name N)
       (resid   14 and name CA)
       (resid   14 and name C)
       1.0  60  135 2
assign (resid   45 and name C)
       (resid   46 and name N)
       (resid   46 and name CA)
       (resid   46 and name C)
       1.0  60  135 2


! Output generated by user pwang on 12.09.2001.
! Script: /home/nmr/pwang/tk/topcatcode/topcat.beta.pl 
! Phi:
assign (resid   9 and name C)
       (resid   10 and name N)
       (resid   10 and name CA)
       (resid   10 and name C)
       1.0 -135  50 2
assign (resid   10 and name C)
       (resid   11 and name N)
       (resid   11 and name CA)
       (resid   11 and name C)
       1.0 -135  50 2
assign (resid   11 and name C)
       (resid   12 and name N)
       (resid   12 and name CA)
       (resid   12 and name C)
       1.0 -135  50 2
!assign (resid   12 and name C)
!       (resid   13 and name N)
!       (resid   13 and name CA)
!       (resid   13 and name C)
!       1.0 -135  50 2
assign (resid   15 and name C)
       (resid   16 and name N)
       (resid   16 and name CA)
       (resid   16 and name C)
       1.0 -135  50 2
assign (resid   16 and name C)
       (resid   17 and name N)
       (resid   17 and name CA)
       (resid   17 and name C)
       1.0 -135  30 2
assign (resid   17 and name C)
       (resid   18 and name N)
       (resid   18 and name CA)
       (resid   18 and name C)
       1.0 -135  30 2
assign (resid   18 and name C)
       (resid   19 and name N)
       (resid   19 and name CA)
       (resid   19 and name C)
       1.0 -135  30 2
assign (resid   25 and name C)
       (resid   26 and name N)
       (resid   26 and name CA)
       (resid   26 and name C)
       1.0 -135  50 2
assign (resid   26 and name C)
       (resid   27 and name N)
       (resid   27 and name CA)
       (resid   27 and name C)
       1.0 -135  30 2
assign (resid   27 and name C)
       (resid   28 and name N)
       (resid   28 and name CA)
       (resid   28 and name C)
       1.0 -135  30 2
assign (resid   28 and name C)
       (resid   29 and name N)
       (resid   29 and name CA)
       (resid   29 and name C)
       1.0 -135  30 2
assign (resid   47 and name C)
       (resid   48 and name N)
       (resid   48 and name CA)
       (resid   48 and name C)
       1.0 -135  50 2
assign (resid   48 and name C)
       (resid   49 and name N)
       (resid   49 and name CA)
       (resid   49 and name C)
       1.0 -135  50 2
assign (resid   49 and name C)
       (resid   50 and name N)
       (resid   50 and name CA)
       (resid   50 and name C)
       1.0 -135  50 2
assign (resid   50 and name C)
       (resid   51 and name N)
       (resid   51 and name CA)
       (resid   51 and name C)
       1.0 -135  50 2
assign (resid   55 and name C)
       (resid   56 and name N)
       (resid   56 and name CA)
       (resid   56 and name C)
       1.0 -135  50 2
assign (resid   56 and name C)
       (resid   57 and name N)
       (resid   57 and name CA)
       (resid   57 and name C)
       1.0 -135  50 2

! Psi:
assign (resid   10 and name N)
       (resid   10 and name CA)
       (resid   10 and name C)
       (resid   11 and name N)
       1.0 135  50 2
assign (resid   11 and name N)
       (resid   11 and name CA)
       (resid   11 and name C)
       (resid   12 and name N)
       1.0 135  50 2
assign (resid   12 and name N)
       (resid   12 and name CA)
       (resid   12 and name C)
       (resid   13 and name N)
       1.0 135  50 2
!assign (resid   13 and name N)
!       (resid   13 and name CA)
!       (resid   13 and name C)
!       (resid   14 and name N)
!       1.0 135  50 2
assign (resid   16 and name N)
       (resid   16 and name CA)
       (resid   16 and name C)
       (resid   17 and name N)
       1.0 135  50 2
assign (resid   17 and name N)
       (resid   17 and name CA)
       (resid   17 and name C)
       (resid   18 and name N)
       1.0 135  30 2
assign (resid   18 and name N)
       (resid   18 and name CA)
       (resid   18 and name C)
       (resid   19 and name N)
       1.0 135  30 2
assign (resid   19 and name N)
       (resid   19 and name CA)
       (resid   19 and name C)
       (resid   20 and name N)
       1.0 135  30 2
assign (resid   26 and name N)
       (resid   26 and name CA)
       (resid   26 and name C)
       (resid   27 and name N)
       1.0 135  50 2
assign (resid   27 and name N)
       (resid   27 and name CA)
       (resid   27 and name C)
       (resid   28 and name N)
       1.0 135  30 2
assign (resid   28 and name N)
       (resid   28 and name CA)
       (resid   28 and name C)
       (resid   29 and name N)
       1.0 135  30 2
assign (resid   29 and name N)
       (resid   29 and name CA)
       (resid   29 and name C)
       (resid   30 and name N)
       1.0 135  30 2
assign (resid   48 and name N)
       (resid   48 and name CA)
       (resid   48 and name C)
       (resid   49 and name N)
       1.0 135  50 2
assign (resid   49 and name N)
       (resid   49 and name CA)
       (resid   49 and name C)
       (resid   50 and name N)
       1.0 135  50 2
assign (resid   50 and name N)
       (resid   50 and name CA)
       (resid   50 and name C)
       (resid   51 and name N)
       1.0 135  50 2
assign (resid   51 and name N)
       (resid   51 and name CA)
       (resid   51 and name C)
       (resid   52 and name N)
       1.0 135  50 2
assign (resid   56 and name N)
       (resid   56 and name CA)
       (resid   56 and name C)
       (resid   57 and name N)
       1.0 135  50 2
assign (resid   57 and name N)
       (resid   57 and name CA)
       (resid   57 and name C)
       (resid   58 and name N)
       1.0 135  50 2


! This file contains the hydrogen bond constraints...
! No constraints between 22/23 and 19 included.

assign (resid  16 and name HN   ) (resid  13 and name O   )    1.800    0.000    0.200
assign (resid  16 and name  N   ) (resid  13 and name O   )    2.700    0.000    0.300
assign (resid  17 and name HN   ) (resid  29 and name O   )    1.800    0.000    0.200
assign (resid  17 and name  N   ) (resid  29 and name O   )    2.700    0.000    0.300
assign (resid  19 and name HN   ) (resid  27 and name O   )    1.800    0.000    0.200
assign (resid  19 and name  N   ) (resid  27 and name O   )    2.700    0.000    0.300
!assign (resid  21 and name HN   ) (resid  25 and name O   )    1.800    0.000    0.200
!assign (resid  21 and name  N   ) (resid  25 and name O   )    2.700    0.000    0.300
assign (resid  27 and name HN   ) (resid  19 and name O   )    1.800    0.000    0.200
assign (resid  27 and name  N   ) (resid  19 and name O   )    2.700    0.000    0.300
assign (resid  29 and name HN   ) (resid  17 and name O   )    1.800    0.000    0.200
assign (resid  29 and name  N   ) (resid  17 and name O   )    2.700    0.000    0.300
!assign (resid  22 and name HN   ) (resid  19 and name O   )    1.800    0.000    0.200
!assign (resid  22 and name  N   ) (resid  19 and name O   )    2.700    0.000    0.300
!assign (resid  23 and name HN   ) (resid  19 and name O  )    1.800    0.000    0.200
!assign (resid  23 and name  N   ) (resid  19 and name O  )    2.700    0.000    0.300

assign (resid  51 and name HN   ) (resid  56 and name O   )    1.800    0.000    0.400
assign (resid  51 and name  N   ) (resid  56 and name O   )    2.700    0.000    0.500
assign (resid  56 and name HN   ) (resid  51 and name O   )    1.800    0.000    0.400
assign (resid  56 and name  N   ) (resid  51 and name O   )    2.700    0.000    0.500
assign (resid  58 and name HN   ) (resid  49 and name O   )    1.800    0.000    0.400
assign (resid  58 and name  N   ) (resid  49 and name O   )    2.700    0.000    0.500


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ALA   1           HA       ALA   1  19.699  -4.455  -1.366
    2    H1   ALA   1           HT1      ALA   1  20.976  -5.653  -2.672
    3    H2   ALA   1           HT2      ALA   1  22.357  -4.775  -2.244
    4    H3   ALA   1           HT3      ALA   1  21.391  -4.257  -3.533
    5    HB1  ALA   1           HB1      ALA   1  21.884  -2.635  -0.515
    6    HB2  ALA   1           HB2      ALA   1  22.083  -4.363  -0.222
    7    HB3  ALA   1           HB3      ALA   1  20.694  -3.507   0.450
    8    H    MET   2           HN       MET   2  21.330  -2.892  -3.861
    9    HA   MET   2           HA       MET   2  19.555  -0.551  -3.631
   10    HB2  MET   2           HB2      MET   2  21.228   0.710  -4.936
   11    HB3  MET   2           HB1      MET   2  21.874   0.129  -3.408
   12    HG2  MET   2           HG2      MET   2  23.259  -1.401  -4.418
   13    HG3  MET   2           HG1      MET   2  22.271  -1.494  -5.874
   14    HE1  MET   2           HE1      MET   2  24.360  -1.567  -7.178
   15    HE2  MET   2           HE2      MET   2  25.648  -1.068  -6.081
   16    HE3  MET   2           HE3      MET   2  25.377  -0.184  -7.583
   17    H    ASP   3           HN       ASP   3  19.072  -3.186  -4.879
   18    HA   ASP   3           HA       ASP   3  19.204  -2.896  -7.708
   19    HB2  ASP   3           HB2      ASP   3  18.958  -5.055  -6.297
   20    HB3  ASP   3           HB1      ASP   3  17.238  -4.677  -6.288
   21    H    VAL   4           HN       VAL   4  16.673  -2.354  -5.294
   22    HA   VAL   4           HA       VAL   4  15.148  -0.891  -7.347
   23    HB   VAL   4           HB       VAL   4  13.851  -2.335  -5.042
   24   HG11  VAL   4          1HG1      VAL   4  12.442  -0.652  -5.904
   25   HG12  VAL   4          2HG1      VAL   4  11.871  -2.161  -6.614
   26   HG13  VAL   4          3HG1      VAL   4  12.852  -1.052  -7.571
   27   HG21  VAL   4          3HG2      VAL   4  15.166  -3.743  -6.865
   28   HG22  VAL   4          1HG2      VAL   4  13.695  -3.447  -7.792
   29   HG23  VAL   4          2HG2      VAL   4  13.606  -4.265  -6.233
   30    H    LYS   5           HN       LYS   5  14.215   1.037  -6.743
   31    HA   LYS   5           HA       LYS   5  14.411   1.921  -3.974
   32    HB2  LYS   5           HB2      LYS   5  16.152   2.859  -6.143
   33    HB3  LYS   5           HB1      LYS   5  15.337   4.155  -5.279
   34    HG2  LYS   5           HG2      LYS   5  16.284   3.462  -3.201
   35    HG3  LYS   5           HG1      LYS   5  16.936   1.993  -3.930
   36    HD2  LYS   5           HD2      LYS   5  18.679   3.082  -4.890
   37    HD3  LYS   5           HD1      LYS   5  17.742   4.550  -5.176
   38    HE2  LYS   5           HE2      LYS   5  18.944   5.414  -3.495
   39    HE3  LYS   5           HE1      LYS   5  17.869   4.485  -2.451
   40    HZ1  LYS   5           HZ1      LYS   5  20.057   3.977  -1.793
   41    HZ2  LYS   5           HZ2      LYS   5  20.580   3.737  -3.384
   42    HZ3  LYS   5           HZ3      LYS   5  19.523   2.629  -2.666
   43    H    CYS   6           HN       CYS   6  12.911   3.468  -3.423
   44    HA   CYS   6           HA       CYS   6  10.860   3.994  -5.441
   45    HB2  CYS   6           HB2      CYS   6  10.393   4.909  -2.679
   46    HB3  CYS   6           HB1      CYS   6   9.341   4.000  -3.757
   47    H    ASP   7           HN       ASP   7  13.219   5.599  -3.451
   48    HA   ASP   7           HA       ASP   7  12.949   8.015  -4.991
   49    HB2  ASP   7           HB2      ASP   7  11.463   7.834  -2.619
   50    HB3  ASP   7           HB1      ASP   7  12.869   8.812  -2.209
   51    H    MET   8           HN       MET   8  14.411   9.767  -3.554
   52    HA   MET   8           HA       MET   8  17.014   8.456  -3.489
   53    HB2  MET   8           HB2      MET   8  16.038  11.075  -4.203
   54    HB3  MET   8           HB1      MET   8  17.332  11.210  -3.020
   55    HG2  MET   8           HG2      MET   8  18.841  10.015  -4.422
   56    HG3  MET   8           HG1      MET   8  17.550   9.600  -5.548
   57    HE1  MET   8           HE1      MET   8  20.361  11.750  -6.926
   58    HE2  MET   8           HE2      MET   8  19.023  11.408  -8.022
   59    HE3  MET   8           HE3      MET   8  19.565  10.177  -6.883
   60    H    GLU   9           HN       GLU   9  15.523   7.701  -1.336
   61    HA   GLU   9           HA       GLU   9  17.174   8.547   0.835
   62    HB2  GLU   9           HB2      GLU   9  14.630   9.878   0.434
   63    HB3  GLU   9           HB1      GLU   9  14.674   9.044   1.982
   64    HG2  GLU   9           HG2      GLU   9  15.850  10.702   2.839
   65    HG3  GLU   9           HG1      GLU   9  17.139  10.392   1.676
   66    H    VAL  10           HN       VAL  10  15.293   6.347  -0.707
   67    HA   VAL  10           HA       VAL  10  15.053   4.677   1.713
   68    HB   VAL  10           HB       VAL  10  13.216   3.477   0.302
   69   HG11  VAL  10          1HG1      VAL  10  11.841   4.329   1.831
   70   HG12  VAL  10          2HG1      VAL  10  12.002   5.957   1.173
   71   HG13  VAL  10          3HG1      VAL  10  13.183   5.356   2.337
   72   HG21  VAL  10          3HG2      VAL  10  12.083   5.753  -0.813
   73   HG22  VAL  10          1HG2      VAL  10  12.806   4.401  -1.683
   74   HG23  VAL  10          2HG2      VAL  10  13.777   5.822  -1.298
   75    H    SER  11           HN       SER  11  15.036   2.297   1.199
   76    HA   SER  11           HA       SER  11  16.403   1.531  -1.244
   77    HG   SER  11           HG       SER  11  17.647   0.270   2.094
   78    HB2  SER  11           HB2      SER  11  18.229   0.370   0.024
   79    HB3  SER  11           HB1      SER  11  18.304   2.129   0.110
   80    H    CYS  12           HN       CYS  12  14.564   0.301  -1.660
   81    HA   CYS  12           HA       CYS  12  14.274  -2.095   0.031
   82    HB2  CYS  12           HB2      CYS  12  11.944  -1.441  -1.611
   83    HB3  CYS  12           HB1      CYS  12  12.032  -1.882   0.091
   84    HA   PRO  13           HA       PRO  13  15.609  -3.587  -4.088
   85    HB2  PRO  13           HB2      PRO  13  16.989  -5.707  -3.205
   86    HB3  PRO  13           HB1      PRO  13  17.643  -4.066  -3.093
   87    HG2  PRO  13           HG2      PRO  13  16.243  -5.684  -0.983
   88    HG3  PRO  13           HG1      PRO  13  17.766  -4.785  -0.860
   89    HD2  PRO  13           HD2      PRO  13  15.429  -3.761   0.011
   90    HD3  PRO  13           HD1      PRO  13  16.696  -2.740  -0.701
   91    H    ASP  14           HN       ASP  14  15.902  -6.355  -4.363
   92    HA   ASP  14           HA       ASP  14  13.370  -7.198  -5.065
   93    HB2  ASP  14           HB2      ASP  14  14.398  -9.542  -4.991
   94    HB3  ASP  14           HB1      ASP  14  15.190  -8.356  -6.025
   95    H    GLY  15           HN       GLY  15  11.764  -8.379  -4.122
   96    HA2  GLY  15           HA2      GLY  15  10.692  -9.613  -2.448
   97    HA3  GLY  15           HA1      GLY  15  12.127  -9.456  -1.445
   98    H    TYR  16           HN       TYR  16  11.851  -6.451  -2.352
   99    HA   TYR  16           HA       TYR  16  10.097  -5.748  -0.104
  100    HD1  TYR  16           HD2      TYR  16  13.870  -6.076  -0.966
  101    HD2  TYR  16           HD1      TYR  16  11.701  -4.098   2.112
  102    HE1  TYR  16           HE2      TYR  16  15.397  -7.018   0.704
  103    HE2  TYR  16           HE1      TYR  16  13.230  -5.026   3.794
  104    HH   TYR  16           HH       TYR  16  15.171  -7.557   3.322
  105    HB2  TYR  16           HB2      TYR  16  12.312  -4.186  -1.443
  106    HB3  TYR  16           HB1      TYR  16  11.287  -3.558  -0.157
  107    H    THR  17           HN       THR  17   8.703  -3.933  -0.289
  108    HA   THR  17           HA       THR  17   7.906  -3.303  -3.058
  109    HB   THR  17           HB       THR  17   6.182  -3.916  -0.661
  110    HG1  THR  17           HG1      THR  17   5.922  -4.826  -3.337
  111   HG21  THR  17          3HG2      THR  17   5.625  -1.773  -2.232
  112   HG22  THR  17          1HG2      THR  17   4.403  -2.765  -1.437
  113   HG23  THR  17          2HG2      THR  17   4.817  -3.060  -3.126
  114    H    CYS  18           HN       CYS  18   7.151  -1.181  -3.445
  115    HA   CYS  18           HA       CYS  18   8.036   0.756  -1.422
  116    HB2  CYS  18           HB2      CYS  18   7.709   0.954  -4.414
  117    HB3  CYS  18           HB1      CYS  18   7.945   2.371  -3.398
  118    H    CYS  19           HN       CYS  19   6.423   1.417  -0.168
  119    HA   CYS  19           HA       CYS  19   3.883   2.167  -1.457
  120    HB2  CYS  19           HB2      CYS  19   3.943   0.062   0.104
  121    HB3  CYS  19           HB1      CYS  19   3.967   1.257   1.398
  122    H    ARG  20           HN       ARG  20   3.209   4.187  -1.100
  123    HA   ARG  20           HA       ARG  20   4.870   5.994   0.371
  124    HE   ARG  20           HE       ARG  20   4.005  10.220  -1.451
  125    HB2  ARG  20           HB2      ARG  20   2.677   6.163  -1.528
  126    HB3  ARG  20           HB1      ARG  20   2.527   7.355  -0.245
  127    HG2  ARG  20           HG2      ARG  20   4.991   6.974  -1.930
  128    HG3  ARG  20           HG1      ARG  20   3.732   8.168  -2.251
  129    HD2  ARG  20           HD2      ARG  20   4.425   8.482   0.447
  130    HD3  ARG  20           HD1      ARG  20   5.946   8.292  -0.423
  131   HH11  ARG  20          1HH1      ARG  20   7.002   9.591   0.215
  132   HH12  ARG  20          2HH1      ARG  20   7.601  11.204   0.015
  133   HH21  ARG  20          1HH2      ARG  20   4.786  12.348  -1.714
  134   HH22  ARG  20          2HH2      ARG  20   6.341  12.770  -1.080
  135    H    LEU  21           HN       LEU  21   4.392   7.155   2.218
  136    HA   LEU  21           HA       LEU  21   1.978   6.401   3.708
  137    HG   LEU  21           HG       LEU  21   3.782   4.381   3.477
  138    HB2  LEU  21           HB2      LEU  21   4.722   6.552   4.956
  139    HB3  LEU  21           HB1      LEU  21   3.226   6.096   5.749
  140   HD11  LEU  21          1HD1      LEU  21   6.023   4.339   3.709
  141   HD12  LEU  21          2HD1      LEU  21   5.649   3.269   5.060
  142   HD13  LEU  21          3HD1      LEU  21   5.975   4.977   5.352
  143   HD21  LEU  21          3HD2      LEU  21   3.197   2.678   4.983
  144   HD22  LEU  21          1HD2      LEU  21   2.206   4.060   5.451
  145   HD23  LEU  21          2HD2      LEU  21   3.644   3.647   6.386
  146    H    GLN  22           HN       GLN  22   1.972   7.862   5.838
  147    HA   GLN  22           HA       GLN  22   2.035  10.581   4.844
  148    HB2  GLN  22           HB2      GLN  22   1.160  11.049   7.216
  149    HB3  GLN  22           HB1      GLN  22   0.104  10.224   6.074
  150    HG2  GLN  22           HG2      GLN  22   0.686   8.079   7.093
  151    HG3  GLN  22           HG1      GLN  22   1.738   8.910   8.237
  152   HE21  GLN  22          1HE2      GLN  22   0.824   8.876  10.158
  153   HE22  GLN  22          2HE2      GLN  22  -0.836   9.208  10.503
  154    H    SER  23           HN       SER  23   4.244   8.602   6.309
  155    HA   SER  23           HA       SER  23   5.420  10.443   8.154
  156    HG   SER  23           HG       SER  23   6.862   9.053   9.550
  157    HB2  SER  23           HB2      SER  23   5.929   7.727   7.227
  158    HB3  SER  23           HB1      SER  23   7.419   8.650   7.420
  159    H    GLY  24           HN       GLY  24   4.917  11.343   5.364
  160    HA2  GLY  24           HA2      GLY  24   5.956  12.575   3.721
  161    HA3  GLY  24           HA1      GLY  24   7.075  13.033   4.996
  162    H    ALA  25           HN       ALA  25   6.671   9.742   3.835
  163    HA   ALA  25           HA       ALA  25   8.932   9.845   2.066
  164    HB1  ALA  25           HB1      ALA  25   9.267   8.989   4.870
  165    HB2  ALA  25           HB2      ALA  25  10.438   9.667   3.740
  166    HB3  ALA  25           HB3      ALA  25  10.009   7.959   3.646
  167    H    TRP  26           HN       TRP  26   9.678   7.279   1.878
  168    HA   TRP  26           HA       TRP  26   7.187   5.933   1.107
  169    HD1  TRP  26           HD1      TRP  26   9.849   8.010  -1.085
  170    HE1  TRP  26           HE1      TRP  26   8.550   8.749  -3.181
  171    HE3  TRP  26           HE3      TRP  26   6.618   4.068  -1.466
  172    HZ2  TRP  26           HZ2      TRP  26   6.435   7.786  -4.784
  173    HZ3  TRP  26           HZ3      TRP  26   4.988   4.053  -3.308
  174    HH2  TRP  26           HH2      TRP  26   4.898   5.875  -4.931
  175    HB2  TRP  26           HB2      TRP  26  10.035   5.666   0.166
  176    HB3  TRP  26           HB1      TRP  26   8.825   4.445  -0.204
  177    H    GLY  27           HN       GLY  27   7.365   3.458   1.163
  178    HA2  GLY  27           HA2      GLY  27   8.705   2.599   3.651
  179    HA3  GLY  27           HA1      GLY  27   7.022   2.200   3.348
  180    H    CYS  28           HN       CYS  28   9.587   0.589   3.667
  181    HA   CYS  28           HA       CYS  28   9.521  -0.876   1.119
  182    HB2  CYS  28           HB2      CYS  28  11.518  -1.194   3.362
  183    HB3  CYS  28           HB1      CYS  28  11.641  -1.828   1.725
  184    H    CYS  29           HN       CYS  29   8.243  -2.583   1.055
  185    HA   CYS  29           HA       CYS  29   7.657  -4.037   3.541
  186    HB2  CYS  29           HB2      CYS  29   6.045  -4.784   1.237
  187    HB3  CYS  29           HB1      CYS  29   5.535  -4.227   2.826
  188    HA   PRO  30           HA       PRO  30  10.331  -7.132   1.578
  189    HB2  PRO  30           HB2      PRO  30  10.962  -8.473   3.795
  190    HB3  PRO  30           HB1      PRO  30  11.627  -6.860   3.491
  191    HG2  PRO  30           HG2      PRO  30   9.268  -7.637   5.178
  192    HG3  PRO  30           HG1      PRO  30  10.633  -6.584   5.605
  193    HD2  PRO  30           HD2      PRO  30   8.246  -5.610   4.771
  194    HD3  PRO  30           HD1      PRO  30   9.783  -4.798   4.410
  195    H    PHE  31           HN       PHE  31   7.920  -7.664   0.807
  196    HA   PHE  31           HA       PHE  31   7.569 -10.468   1.371
  197    HD1  PHE  31           HD2      PHE  31   5.964  -6.877   1.310
  198    HD2  PHE  31           HD1      PHE  31   3.244 -10.090   1.941
  199    HE1  PHE  31           HE2      PHE  31   4.110  -5.455   0.540
  200    HE2  PHE  31           HE1      PHE  31   1.386  -8.673   1.173
  201    HZ   PHE  31           HZ       PHE  31   1.818  -6.353   0.472
  202    HB2  PHE  31           HB2      PHE  31   5.459 -10.441   2.326
  203    HB3  PHE  31           HB1      PHE  31   6.214  -9.050   3.091
  204    H    THR  32           HN       THR  32   5.605 -11.318   0.049
  205    HA   THR  32           HA       THR  32   5.375  -9.819  -2.472
  206    HB   THR  32           HB       THR  32   5.381 -12.675  -2.940
  207    HG1  THR  32           HG1      THR  32   7.237 -13.234  -2.063
  208   HG21  THR  32          3HG2      THR  32   5.759 -11.521  -4.861
  209   HG22  THR  32          1HG2      THR  32   7.441 -11.725  -4.372
  210   HG23  THR  32          2HG2      THR  32   6.602 -10.210  -4.036
  211    H    GLN  33           HN       GLN  33   3.267  -9.212  -2.040
  212    HA   GLN  33           HA       GLN  33   1.222 -10.950  -2.834
  213    HB2  GLN  33           HB2      GLN  33   1.925 -11.484  -0.232
  214    HB3  GLN  33           HB1      GLN  33   0.599 -10.346  -0.029
  215    HG2  GLN  33           HG2      GLN  33  -0.868 -11.945  -0.426
  216    HG3  GLN  33           HG1      GLN  33  -0.141 -12.257  -2.001
  217   HE21  GLN  33          1HE2      GLN  33   1.055 -12.715   1.303
  218   HE22  GLN  33          2HE2      GLN  33   1.374 -14.405   1.139
  219    H    ALA  34           HN       ALA  34  -0.905  -9.793  -1.261
  220    HA   ALA  34           HA       ALA  34  -1.421  -7.468  -2.722
  221    HB1  ALA  34           HB1      ALA  34  -2.927  -7.291  -0.358
  222    HB2  ALA  34           HB2      ALA  34  -2.744  -9.012  -0.699
  223    HB3  ALA  34           HB3      ALA  34  -3.437  -7.941  -1.916
  224    H    VAL  35           HN       VAL  35   0.184  -5.952  -2.611
  225    HA   VAL  35           HA       VAL  35   1.417  -5.095  -0.217
  226    HB   VAL  35           HB       VAL  35   2.387  -3.297  -1.532
  227   HG11  VAL  35          1HG1      VAL  35   2.811  -5.953  -1.884
  228   HG12  VAL  35          2HG1      VAL  35   3.790  -4.681  -2.614
  229   HG13  VAL  35          3HG1      VAL  35   2.494  -5.437  -3.541
  230   HG21  VAL  35          3HG2      VAL  35   0.220  -2.876  -2.821
  231   HG22  VAL  35          1HG2      VAL  35   0.743  -4.178  -3.890
  232   HG23  VAL  35          2HG2      VAL  35   1.733  -2.728  -3.716
  233    H    CYS  36           HN       CYS  36   0.932  -3.556   1.212
  234    HA   CYS  36           HA       CYS  36  -0.386  -2.144   2.422
  235    HB2  CYS  36           HB2      CYS  36  -1.122  -0.539   0.058
  236    HB3  CYS  36           HB1      CYS  36  -0.349  -0.047   1.560
  237    H    CYS  37           HN       CYS  37  -1.814  -4.388   1.708
  238    HA   CYS  37           HA       CYS  37  -4.496  -3.397   1.876
  239    HB2  CYS  37           HB2      CYS  37  -4.007  -3.378  -0.608
  240    HB3  CYS  37           HB1      CYS  37  -3.864  -5.129  -0.516
  241    H    GLU  38           HN       GLU  38  -6.082  -5.184   2.108
  242    HA   GLU  38           HA       GLU  38  -6.788  -7.044   3.203
  243    HB2  GLU  38           HB2      GLU  38  -4.736  -7.909   1.344
  244    HB3  GLU  38           HB1      GLU  38  -4.816  -8.967   2.745
  245    HG2  GLU  38           HG2      GLU  38  -7.343  -9.018   2.313
  246    HG3  GLU  38           HG1      GLU  38  -6.940  -8.360   0.728
  247    H    ASP  39           HN       ASP  39  -5.543  -9.094   4.517
  248    HA   ASP  39           HA       ASP  39  -4.403  -7.682   6.798
  249    HB2  ASP  39           HB2      ASP  39  -6.191  -9.830   6.521
  250    HB3  ASP  39           HB1      ASP  39  -4.719 -10.531   7.186
  251    H    HIS  40           HN       HIS  40  -3.248 -10.434   7.588
  252    HA   HIS  40           HA       HIS  40  -1.228 -11.461   7.590
  253    HD1  HIS  40           HD1      HIS  40  -2.267 -13.375   6.950
  254    HD2  HIS  40           HD2      HIS  40   0.760 -13.270   4.105
  255    HE1  HIS  40           HE1      HIS  40  -1.530 -15.763   6.663
  256    HE2  HIS  40           HE2      HIS  40   0.290 -15.678   4.923
  257    HB2  HIS  40           HB2      HIS  40  -1.915 -11.141   4.838
  258    HB3  HIS  40           HB1      HIS  40  -0.184 -10.874   5.009
  259    H    ILE  41           HN       ILE  41   0.038  -9.295   5.170
  260    HA   ILE  41           HA       ILE  41   1.367  -7.696   7.244
  261    HB   ILE  41           HB       ILE  41   2.986  -8.394   4.856
  262   HG12  ILE  41          2HG1      ILE  41   3.706 -10.335   6.721
  263   HG13  ILE  41          1HG1      ILE  41   1.947 -10.401   6.689
  264   HG21  ILE  41          1HG2      ILE  41   4.221  -8.561   7.474
  265   HG22  ILE  41          2HG2      ILE  41   3.388  -7.027   7.224
  266   HG23  ILE  41          3HG2      ILE  41   4.634  -7.549   6.090
  267   HD11  ILE  41          3HD1      ILE  41   2.297 -10.428   4.101
  268   HD12  ILE  41          1HD1      ILE  41   2.483 -11.901   5.052
  269   HD13  ILE  41          2HD1      ILE  41   3.909 -10.999   4.537
  270    H    HIS  42           HN       HIS  42   0.499  -5.745   6.866
  271    HA   HIS  42           HA       HIS  42   0.332  -4.806   4.088
  272    HD1  HIS  42           HD1      HIS  42   0.284  -4.115   7.998
  273    HD2  HIS  42           HD2      HIS  42  -3.592  -4.909   6.731
  274    HE1  HIS  42           HE1      HIS  42  -0.956  -4.859  10.055
  275    HE2  HIS  42           HE2      HIS  42  -3.269  -5.439   9.242
  276    HB2  HIS  42           HB2      HIS  42  -0.993  -2.899   5.482
  277    HB3  HIS  42           HB1      HIS  42  -1.764  -4.329   4.807
  278    H    CYS  43           HN       CYS  43   1.434  -3.035   3.407
  279    HA   CYS  43           HA       CYS  43   3.663  -2.168   4.952
  280    HB2  CYS  43           HB2      CYS  43   3.052  -2.185   2.272
  281    HB3  CYS  43           HB1      CYS  43   2.951  -0.473   2.672
  282    H    CYS  44           HN       CYS  44   0.508  -1.403   5.230
  283    HA   CYS  44           HA       CYS  44   0.913   1.427   5.862
  284    HB2  CYS  44           HB2      CYS  44  -1.754   0.641   6.389
  285    HB3  CYS  44           HB1      CYS  44  -1.162   1.638   5.065
  286    HA   PRO  45           HA       PRO  45   1.176   0.646  10.211
  287    HB2  PRO  45           HB2      PRO  45  -0.137   3.229  10.683
  288    HB3  PRO  45           HB1      PRO  45   1.514   2.728  11.056
  289    HG2  PRO  45           HG2      PRO  45   0.969   4.498   9.102
  290    HG3  PRO  45           HG1      PRO  45   2.312   3.345   8.983
  291    HD2  PRO  45           HD2      PRO  45  -0.404   3.226   7.725
  292    HD3  PRO  45           HD1      PRO  45   1.178   2.829   7.024
  293    H    ALA  46           HN       ALA  46  -1.265  -0.301   8.848
  294    HA   ALA  46           HA       ALA  46  -3.250  -1.234   9.388
  295    HB1  ALA  46           HB1      ALA  46  -2.580  -2.173  11.353
  296    HB2  ALA  46           HB2      ALA  46  -3.830  -1.084  11.956
  297    HB3  ALA  46           HB3      ALA  46  -2.131  -0.626  12.071
  298    H    GLY  47           HN       GLY  47  -5.463  -0.756  10.073
  299    HA2  GLY  47           HA2      GLY  47  -7.270   0.650  10.410
  300    HA3  GLY  47           HA1      GLY  47  -6.146   1.949  10.780
  301    H    PHE  48           HN       PHE  48  -5.152   0.638   7.930
  302    HA   PHE  48           HA       PHE  48  -6.788   2.503   6.339
  303    HD1  PHE  48           HD1      PHE  48  -6.070   4.358   7.476
  304    HD2  PHE  48           HD2      PHE  48  -2.143   2.856   6.840
  305    HE1  PHE  48           HE1      PHE  48  -5.209   5.892   9.196
  306    HE2  PHE  48           HE2      PHE  48  -1.276   4.385   8.554
  307    HZ   PHE  48           HZ       PHE  48  -2.808   5.906   9.740
  308    HB2  PHE  48           HB2      PHE  48  -3.898   1.849   5.776
  309    HB3  PHE  48           HB1      PHE  48  -4.861   3.146   5.088
  310    H    THR  49           HN       THR  49  -7.479   1.824   4.349
  311    HA   THR  49           HA       THR  49  -6.906  -0.983   3.655
  312    HB   THR  49           HB       THR  49  -9.229   0.247   2.348
  313    HG1  THR  49           HG1      THR  49  -9.240   1.139   4.561
  314   HG21  THR  49          3HG2      THR  49  -8.681  -2.146   2.224
  315   HG22  THR  49          1HG2      THR  49 -10.265  -1.878   2.953
  316   HG23  THR  49          2HG2      THR  49  -8.881  -2.276   3.971
  317    H    CYS  50           HN       CYS  50  -6.921  -1.474   1.306
  318    HA   CYS  50           HA       CYS  50  -5.357   0.512  -0.096
  319    HB2  CYS  50           HB2      CYS  50  -4.902  -1.195  -1.706
  320    HB3  CYS  50           HB1      CYS  50  -4.808  -1.936  -0.114
  321    H    ASP  51           HN       ASP  51  -6.026   1.860  -1.597
  322    HA   ASP  51           HA       ASP  51  -8.698   1.466  -2.772
  323    HB2  ASP  51           HB2      ASP  51  -7.450   3.848  -1.505
  324    HB3  ASP  51           HB1      ASP  51  -8.431   4.133  -2.939
  325    H    THR  52           HN       THR  52  -8.864   3.145  -4.723
  326    HA   THR  52           HA       THR  52  -8.273   3.632  -6.859
  327    HB   THR  52           HB       THR  52  -5.359   3.364  -6.242
  328    HG1  THR  52           HG1      THR  52  -6.067   4.457  -4.432
  329   HG21  THR  52          3HG2      THR  52  -6.704   5.671  -7.589
  330   HG22  THR  52          1HG2      THR  52  -6.497   4.151  -8.460
  331   HG23  THR  52          2HG2      THR  52  -5.087   5.012  -7.842
  332    H    GLN  53           HN       GLN  53  -8.073   0.758  -5.593
  333    HA   GLN  53           HA       GLN  53  -7.759  -1.368  -6.342
  334    HB2  GLN  53           HB2      GLN  53  -9.096  -0.228  -8.262
  335    HB3  GLN  53           HB1      GLN  53  -7.577  -0.311  -9.143
  336    HG2  GLN  53           HG2      GLN  53  -7.658  -2.570  -9.354
  337    HG3  GLN  53           HG1      GLN  53  -8.540  -2.792  -7.844
  338   HE21  GLN  53          1HE2      GLN  53  -8.805  -3.227 -11.012
  339   HE22  GLN  53          2HE2      GLN  53 -10.505  -3.011 -11.231
  340    H    LYS  54           HN       LYS  54  -5.429   0.675  -6.128
  341    HA   LYS  54           HA       LYS  54  -3.431  -0.906  -7.600
  342    HB2  LYS  54           HB2      LYS  54  -3.625   1.582  -8.059
  343    HB3  LYS  54           HB1      LYS  54  -3.035   1.844  -6.424
  344    HG2  LYS  54           HG2      LYS  54  -1.169   0.125  -7.424
  345    HG3  LYS  54           HG1      LYS  54  -1.592   1.082  -8.845
  346    HD2  LYS  54           HD2      LYS  54  -0.935   2.347  -6.198
  347    HD3  LYS  54           HD1      LYS  54   0.310   1.948  -7.383
  348    HE2  LYS  54           HE2      LYS  54  -0.684   3.401  -9.009
  349    HE3  LYS  54           HE1      LYS  54  -2.090   3.671  -7.980
  350    HZ1  LYS  54           HZ1      LYS  54  -0.301   4.542  -6.329
  351    HZ2  LYS  54           HZ2      LYS  54  -0.855   5.540  -7.576
  352    HZ3  LYS  54           HZ3      LYS  54   0.632   4.747  -7.726
  353    H    GLY  55           HN       GLY  55  -4.257   0.495  -4.477
  354    HA2  GLY  55           HA2      GLY  55  -3.715  -1.110  -2.608
  355    HA3  GLY  55           HA1      GLY  55  -2.086  -1.097  -3.265
  356    H    THR  56           HN       THR  56  -4.300   1.650  -2.847
  357    HA   THR  56           HA       THR  56  -2.209   2.998  -1.307
  358    HB   THR  56           HB       THR  56  -4.451   4.699  -1.577
  359    HG1  THR  56           HG1      THR  56  -3.801   3.928  -4.169
  360   HG21  THR  56          3HG2      THR  56  -1.966   5.202  -1.637
  361   HG22  THR  56          1HG2      THR  56  -2.960   6.072  -2.805
  362   HG23  THR  56          2HG2      THR  56  -1.998   4.688  -3.324
  363    H    CYS  57           HN       CYS  57  -2.237   2.743   0.836
  364    HA   CYS  57           HA       CYS  57  -4.687   2.040   2.201
  365    HB2  CYS  57           HB2      CYS  57  -1.819   1.963   2.828
  366    HB3  CYS  57           HB1      CYS  57  -2.845   2.398   4.190
  367    H    GLU  58           HN       GLU  58  -6.081   3.501   2.864
  368    HA   GLU  58           HA       GLU  58  -5.189   5.812   4.338
  369    HB2  GLU  58           HB2      GLU  58  -6.811   7.215   2.739
  370    HB3  GLU  58           HB1      GLU  58  -5.082   7.076   2.448
  371    HG2  GLU  58           HG2      GLU  58  -5.622   5.110   0.958
  372    HG3  GLU  58           HG1      GLU  58  -7.312   5.590   1.095
  373    H    GLN  59           HN       GLN  59  -6.344   4.668   5.944
  374    HA   GLN  59           HA       GLN  59  -8.102   4.320   7.327
  375    HB2  GLN  59           HB2      GLN  59  -8.914   6.628   5.700
  376    HB3  GLN  59           HB1      GLN  59 -10.252   5.750   6.430
  377    HG2  GLN  59           HG2      GLN  59  -9.885   6.976   8.241
  378    HG3  GLN  59           HG1      GLN  59  -8.456   5.975   8.498
  379   HE21  GLN  59          1HE2      GLN  59  -6.687   6.814   6.707
  380   HE22  GLN  59          2HE2      GLN  59  -6.313   8.487   6.920
  381    H    LYS  60           HN       LYS  60 -10.326   3.427   7.459
  382    HA   LYS  60           HA       LYS  60 -10.598   1.201   5.780
  383    HB2  LYS  60           HB2      LYS  60 -12.808   0.902   6.878
  384    HB3  LYS  60           HB1      LYS  60 -11.491   1.157   8.015
  385    HG2  LYS  60           HG2      LYS  60 -12.191   3.606   8.023
  386    HG3  LYS  60           HG1      LYS  60 -13.665   3.063   7.218
  387    HD2  LYS  60           HD2      LYS  60 -12.694   1.870   9.804
  388    HD3  LYS  60           HD1      LYS  60 -13.761   3.273   9.747
  389    HE2  LYS  60           HE2      LYS  60 -14.296   0.455   8.883
  390    HE3  LYS  60           HE1      LYS  60 -15.224   1.474   9.982
  391    HZ1  LYS  60           HZ1      LYS  60 -16.438   1.375   7.988
  392    HZ2  LYS  60           HZ2      LYS  60 -15.072   1.656   7.030
  393    HZ3  LYS  60           HZ3      LYS  60 -15.705   2.901   7.984
  394    H    LEU  61           HN       LEU  61 -11.740   0.802   3.966
  395    HA   LEU  61           HA       LEU  61 -13.640   2.803   3.001
  396    HG   LEU  61           HG       LEU  61 -11.758   4.137   0.203
  397    HB2  LEU  61           HB2      LEU  61 -11.033   2.667   2.029
  398    HB3  LEU  61           HB1      LEU  61 -11.984   1.809   0.833
  399   HD11  LEU  61          1HD1      LEU  61 -13.795   3.163  -0.503
  400   HD12  LEU  61          2HD1      LEU  61 -14.196   4.761   0.127
  401   HD13  LEU  61          3HD1      LEU  61 -14.511   3.325   1.101
  402   HD21  LEU  61          3HD2      LEU  61 -11.523   5.602   1.873
  403   HD22  LEU  61          1HD2      LEU  61 -12.370   4.566   3.022
  404   HD23  LEU  61          2HD2      LEU  61 -13.286   5.613   1.937
  405    H    ALA  62           HN       ALA  62 -12.122   0.117   1.262
  406    HA   ALA  62           HA       ALA  62 -14.258  -1.717   1.724
  407    HB1  ALA  62           HB1      ALA  62 -14.464  -1.379  -1.076
  408    HB2  ALA  62           HB2      ALA  62 -14.655   0.210  -0.335
  409    HB3  ALA  62           HB3      ALA  62 -15.704  -1.122   0.152
  410    H    ALA  63           HN       ALA  63 -11.236  -0.859   0.533
  411    HA   ALA  63           HA       ALA  63  -9.439  -2.049  -0.191
  412    HB1  ALA  63           HB1      ALA  63  -9.232  -3.857   1.076
  413    HB2  ALA  63           HB2      ALA  63 -10.270  -4.744  -0.041
  414    HB3  ALA  63           HB3      ALA  63 -10.975  -3.902   1.339
  415    H    ALA  64           HN       ALA  64  -9.105  -1.793  -2.296
  416    HA   ALA  64           HA       ALA  64  -9.228  -2.029  -4.555
  417    HB1  ALA  64           HB1      ALA  64 -10.401  -4.628  -4.766
  418    HB2  ALA  64           HB2      ALA  64  -9.243  -4.612  -3.435
  419    HB3  ALA  64           HB3      ALA  64  -8.733  -4.133  -5.054
  420    H    LEU  65           HN       LEU  65 -10.996  -0.408  -4.362
  421    HA   LEU  65           HA       LEU  65 -13.709  -1.310  -4.608
  422    HG   LEU  65           HG       LEU  65 -11.561   1.423  -5.762
  423    HB2  LEU  65           HB2      LEU  65 -14.158   1.118  -5.108
  424    HB3  LEU  65           HB1      LEU  65 -13.424   0.780  -3.552
  425   HD11  LEU  65          1HD1      LEU  65 -12.066   3.920  -4.972
  426   HD12  LEU  65          2HD1      LEU  65 -13.692   3.252  -4.835
  427   HD13  LEU  65          3HD1      LEU  65 -12.839   3.188  -6.378
  428   HD21  LEU  65          3HD2      LEU  65 -10.335   2.487  -4.020
  429   HD22  LEU  65          1HD2      LEU  65 -10.909   0.943  -3.391
  430   HD23  LEU  65          2HD2      LEU  65 -11.722   2.439  -2.932
  431    H    GLU  66           HN       GLU  66 -14.652  -2.011  -6.386
  432    HA   GLU  66           HA       GLU  66 -13.575  -1.157  -8.993
  433    HB2  GLU  66           HB2      GLU  66 -13.190  -3.573  -8.394
  434    HB3  GLU  66           HB1      GLU  66 -14.934  -3.790  -8.401
  435    HG2  GLU  66           HG2      GLU  66 -13.869  -2.550 -10.827
  436    HG3  GLU  66           HG1      GLU  66 -13.291  -4.189 -10.529
  437    H    HIS  67           HN       HIS  67 -16.236  -1.194  -6.922
  438    HA   HIS  67           HA       HIS  67 -18.161  -0.829  -9.104
  439    HD1  HIS  67           HD1      HIS  67 -17.666   0.021  -5.041
  440    HD2  HIS  67           HD2      HIS  67 -18.447  -3.987  -5.810
  441    HE1  HIS  67           HE1      HIS  67 -16.761  -1.234  -3.057
  442    HE2  HIS  67           HE2      HIS  67 -17.305  -3.651  -3.514
  443    HB2  HIS  67           HB2      HIS  67 -19.713  -0.709  -6.917
  444    HB3  HIS  67           HB1      HIS  67 -19.260  -2.230  -7.679
  445    H    HIS  68           HN       HIS  68 -20.001   0.813  -8.246
  446    HA   HIS  68           HA       HIS  68 -18.588   3.303  -7.548
  447    HD1  HIS  68           HD1      HIS  68 -21.504   5.580 -10.202
  448    HD2  HIS  68           HD2      HIS  68 -17.797   5.271  -8.350
  449    HE1  HIS  68           HE1      HIS  68 -20.571   7.915 -10.171
  450    HE2  HIS  68           HE2      HIS  68 -18.290   7.688  -9.128
  451    HB2  HIS  68           HB2      HIS  68 -19.577   2.950  -9.952
  452    HB3  HIS  68           HB1      HIS  68 -21.109   3.312  -9.166
  453    H    HIS  69           HN       HIS  69 -21.900   1.979  -7.668
  454    HA   HIS  69           HA       HIS  69 -22.637   3.584  -5.360
  455    HD1  HIS  69           HD1      HIS  69 -24.053   5.389  -6.182
  456    HD2  HIS  69           HD2      HIS  69 -24.865   2.893  -9.403
  457    HE1  HIS  69           HE1      HIS  69 -24.530   6.923  -8.118
  458    HE2  HIS  69           HE2      HIS  69 -25.105   5.390 -10.033
  459    HB2  HIS  69           HB2      HIS  69 -24.251   1.687  -7.078
  460    HB3  HIS  69           HB1      HIS  69 -24.911   2.643  -5.755
  461    H    HIS  70           HN       HIS  70 -23.121   2.809  -3.347
  462    HA   HIS  70           HA       HIS  70 -23.321   0.002  -2.788
  463    HD1  HIS  70           HD1      HIS  70 -21.831  -1.626  -3.772
  464    HD2  HIS  70           HD2      HIS  70 -20.176  -1.126   0.007
  465    HE1  HIS  70           HE1      HIS  70 -21.171  -3.933  -3.016
  466    HE2  HIS  70           HE2      HIS  70 -20.242  -3.614  -0.696
  467    HB2  HIS  70           HB2      HIS  70 -20.743   0.963  -2.908
  468    HB3  HIS  70           HB1      HIS  70 -21.119   1.094  -1.193
  469    H    HIS  71           HN       HIS  71 -24.077  -0.430  -0.707
  470    HA   HIS  71           HA       HIS  71 -24.638   1.914   0.981
  471    HD1  HIS  71           HD1      HIS  71 -27.245  -0.691  -1.705
  472    HD2  HIS  71           HD2      HIS  71 -26.754   3.342  -0.835
  473    HE1  HIS  71           HE1      HIS  71 -27.943   0.535  -3.787
  474    HE2  HIS  71           HE2      HIS  71 -27.719   2.977  -3.207
  475    HB2  HIS  71           HB2      HIS  71 -26.636  -0.313   0.674
  476    HB3  HIS  71           HB1      HIS  71 -26.887   1.315   1.295
  477    H    HIS  72           HN       HIS  72 -23.537   1.601   2.799
  478    HA   HIS  72           HA       HIS  72 -23.640  -1.064   4.049
  479    HD1  HIS  72           HD1      HIS  72 -22.679  -1.982   2.163
  480    HD2  HIS  72           HD2      HIS  72 -19.320  -1.856   4.606
  481    HE1  HIS  72           HE1      HIS  72 -21.411  -4.097   1.671
  482    HE2  HIS  72           HE2      HIS  72 -19.369  -3.989   3.144
  483    HB2  HIS  72           HB2      HIS  72 -21.321   0.627   3.401
  484    HB3  HIS  72           HB1      HIS  72 -21.330   0.008   5.049
  Start of MODEL    2
    1    HA   ALA   1           HA       ALA   1  22.629  -3.517  -5.938
    2    H1   ALA   1           HT1      ALA   1  23.103  -5.661  -5.785
    3    H2   ALA   1           HT2      ALA   1  23.316  -5.850  -7.452
    4    H3   ALA   1           HT3      ALA   1  21.764  -5.925  -6.785
    5    HB1  ALA   1           HB1      ALA   1  24.613  -3.703  -7.359
    6    HB2  ALA   1           HB2      ALA   1  23.562  -2.385  -7.880
    7    HB3  ALA   1           HB3      ALA   1  23.579  -3.905  -8.774
    8    H    MET   2           HN       MET   2  20.345  -5.191  -6.534
    9    HA   MET   2           HA       MET   2  18.887  -3.585  -8.509
   10    HB2  MET   2           HB2      MET   2  17.125  -5.428  -8.156
   11    HB3  MET   2           HB1      MET   2  18.594  -5.846  -9.027
   12    HG2  MET   2           HG2      MET   2  19.180  -6.362  -6.360
   13    HG3  MET   2           HG1      MET   2  17.526  -6.929  -6.579
   14    HE1  MET   2           HE1      MET   2  20.958  -8.066  -9.332
   15    HE2  MET   2           HE2      MET   2  21.429  -8.006  -7.633
   16    HE3  MET   2           HE3      MET   2  20.748  -6.577  -8.410
   17    H    ASP   3           HN       ASP   3  19.460  -2.349  -6.069
   18    HA   ASP   3           HA       ASP   3  17.274  -2.568  -4.246
   19    HB2  ASP   3           HB2      ASP   3  19.405  -0.453  -4.605
   20    HB3  ASP   3           HB1      ASP   3  18.205  -0.417  -3.316
   21    H    VAL   4           HN       VAL   4  15.349  -1.581  -4.265
   22    HA   VAL   4           HA       VAL   4  14.731   0.158  -6.528
   23    HB   VAL   4           HB       VAL   4  12.877  -1.105  -4.503
   24   HG11  VAL   4          1HG1      VAL   4  11.121  -0.518  -6.187
   25   HG12  VAL   4          2HG1      VAL   4  12.329   0.465  -7.016
   26   HG13  VAL   4          3HG1      VAL   4  11.846   0.864  -5.367
   27   HG21  VAL   4          3HG2      VAL   4  13.941  -2.788  -5.872
   28   HG22  VAL   4          1HG2      VAL   4  13.547  -1.889  -7.337
   29   HG23  VAL   4          2HG2      VAL   4  12.259  -2.603  -6.367
   30    H    LYS   5           HN       LYS   5  15.047   2.260  -6.219
   31    HA   LYS   5           HA       LYS   5  14.571   3.421  -3.568
   32    HB2  LYS   5           HB2      LYS   5  16.231   4.173  -5.921
   33    HB3  LYS   5           HB1      LYS   5  15.581   5.483  -4.945
   34    HG2  LYS   5           HG2      LYS   5  16.610   4.420  -2.946
   35    HG3  LYS   5           HG1      LYS   5  17.369   3.246  -4.023
   36    HD2  LYS   5           HD2      LYS   5  17.732   6.233  -4.228
   37    HD3  LYS   5           HD1      LYS   5  18.852   5.147  -3.402
   38    HE2  LYS   5           HE2      LYS   5  18.143   4.383  -6.153
   39    HE3  LYS   5           HE1      LYS   5  19.067   5.876  -6.001
   40    HZ1  LYS   5           HZ1      LYS   5  20.369   4.185  -4.342
   41    HZ2  LYS   5           HZ2      LYS   5  20.829   4.533  -5.932
   42    HZ3  LYS   5           HZ3      LYS   5  19.905   3.156  -5.602
   43    H    CYS   6           HN       CYS   6  12.904   4.770  -3.183
   44    HA   CYS   6           HA       CYS   6  11.301   5.651  -5.492
   45    HB2  CYS   6           HB2      CYS   6  10.496   4.258  -3.003
   46    HB3  CYS   6           HB1      CYS   6   9.437   5.556  -3.543
   47    H    ASP   7           HN       ASP   7  13.424   6.925  -3.654
   48    HA   ASP   7           HA       ASP   7  12.346   9.531  -3.674
   49    HB2  ASP   7           HB2      ASP   7  11.142   8.474  -1.683
   50    HB3  ASP   7           HB1      ASP   7  12.706   8.464  -0.877
   51    H    MET   8           HN       MET   8  14.809   7.638  -3.972
   52    HA   MET   8           HA       MET   8  17.074   7.803  -3.868
   53    HB2  MET   8           HB2      MET   8  16.051  10.487  -4.312
   54    HB3  MET   8           HB1      MET   8  17.600  10.513  -3.482
   55    HG2  MET   8           HG2      MET   8  18.666   9.343  -5.239
   56    HG3  MET   8           HG1      MET   8  17.126   8.946  -6.000
   57    HE1  MET   8           HE1      MET   8  18.227   9.712  -8.244
   58    HE2  MET   8           HE2      MET   8  19.711  10.357  -7.542
   59    HE3  MET   8           HE3      MET   8  18.733  11.361  -8.612
   60    H    GLU   9           HN       GLU   9  15.663   7.360  -1.424
   61    HA   GLU   9           HA       GLU   9  17.776   8.100   0.437
   62    HB2  GLU   9           HB2      GLU   9  15.820   9.800   0.512
   63    HB3  GLU   9           HB1      GLU   9  14.921   8.503   1.288
   64    HG2  GLU   9           HG2      GLU   9  16.468   8.425   3.106
   65    HG3  GLU   9           HG1      GLU   9  17.552   9.554   2.295
   66    H    VAL  10           HN       VAL  10  14.767   6.352  -0.150
   67    HA   VAL  10           HA       VAL  10  15.311   4.430   1.951
   68    HB   VAL  10           HB       VAL  10  13.249   3.303   1.116
   69   HG11  VAL  10          1HG1      VAL  10  13.484   5.550   2.638
   70   HG12  VAL  10          2HG1      VAL  10  11.988   4.646   2.398
   71   HG13  VAL  10          3HG1      VAL  10  12.327   6.069   1.413
   72   HG21  VAL  10          3HG2      VAL  10  12.748   3.685  -1.034
   73   HG22  VAL  10          1HG2      VAL  10  13.653   5.198  -1.072
   74   HG23  VAL  10          2HG2      VAL  10  12.003   5.172  -0.450
   75    H    SER  11           HN       SER  11  14.949   2.030   1.239
   76    HA   SER  11           HA       SER  11  16.064   1.372  -1.343
   77    HG   SER  11           HG       SER  11  18.759  -0.539   0.560
   78    HB2  SER  11           HB2      SER  11  18.189   1.517  -0.539
   79    HB3  SER  11           HB1      SER  11  17.684   1.299   1.135
   80    H    CYS  12           HN       CYS  12  14.419   0.060  -1.845
   81    HA   CYS  12           HA       CYS  12  13.869  -2.206  -0.046
   82    HB2  CYS  12           HB2      CYS  12  12.019  -1.209  -2.213
   83    HB3  CYS  12           HB1      CYS  12  11.642  -2.297  -0.882
   84    HA   PRO  13           HA       PRO  13  16.043  -3.941  -3.715
   85    HB2  PRO  13           HB2      PRO  13  17.265  -5.946  -2.368
   86    HB3  PRO  13           HB1      PRO  13  17.901  -4.295  -2.415
   87    HG2  PRO  13           HG2      PRO  13  16.252  -5.623  -0.289
   88    HG3  PRO  13           HG1      PRO  13  17.718  -4.643  -0.110
   89    HD2  PRO  13           HD2      PRO  13  15.269  -3.609   0.296
   90    HD3  PRO  13           HD1      PRO  13  16.578  -2.651  -0.429
   91    H    ASP  14           HN       ASP  14  16.420  -6.642  -3.840
   92    HA   ASP  14           HA       ASP  14  14.070  -7.624  -4.843
   93    HB2  ASP  14           HB2      ASP  14  16.581  -8.546  -4.816
   94    HB3  ASP  14           HB1      ASP  14  15.888  -9.616  -3.602
   95    H    GLY  15           HN       GLY  15  12.302  -8.617  -4.114
   96    HA2  GLY  15           HA2      GLY  15  10.924  -9.785  -2.649
   97    HA3  GLY  15           HA1      GLY  15  12.220  -9.775  -1.460
   98    H    TYR  16           HN       TYR  16  11.965  -6.674  -2.529
   99    HA   TYR  16           HA       TYR  16  10.011  -5.990  -0.418
  100    HD1  TYR  16           HD2      TYR  16  11.102  -4.948   2.144
  101    HD2  TYR  16           HD1      TYR  16  14.057  -6.297  -0.600
  102    HE1  TYR  16           HE2      TYR  16  12.239  -6.134   3.965
  103    HE2  TYR  16           HE1      TYR  16  15.204  -7.494   1.208
  104    HH   TYR  16           HH       TYR  16  14.269  -8.499   3.635
  105    HB2  TYR  16           HB2      TYR  16  12.542  -4.522  -1.194
  106    HB3  TYR  16           HB1      TYR  16  11.345  -3.922  -0.051
  107    H    THR  17           HN       THR  17   9.090  -3.796  -0.663
  108    HA   THR  17           HA       THR  17   8.931  -2.784  -3.395
  109    HB   THR  17           HB       THR  17   7.045  -4.258  -3.401
  110    HG1  THR  17           HG1      THR  17   6.471  -2.305  -4.288
  111   HG21  THR  17          3HG2      THR  17   6.514  -4.888  -1.264
  112   HG22  THR  17          1HG2      THR  17   5.230  -3.713  -1.554
  113   HG23  THR  17          2HG2      THR  17   6.657  -3.249  -0.628
  114    H    CYS  18           HN       CYS  18   7.947  -0.594  -3.457
  115    HA   CYS  18           HA       CYS  18   8.454   0.764  -0.906
  116    HB2  CYS  18           HB2      CYS  18   9.311   2.548  -2.034
  117    HB3  CYS  18           HB1      CYS  18   9.650   1.295  -3.218
  118    H    CYS  19           HN       CYS  19   6.878   1.603   0.206
  119    HA   CYS  19           HA       CYS  19   4.402   2.422  -1.141
  120    HB2  CYS  19           HB2      CYS  19   4.617   0.145   0.466
  121    HB3  CYS  19           HB1      CYS  19   3.903   1.364   1.517
  122    H    ARG  20           HN       ARG  20   3.866   4.433  -0.633
  123    HA   ARG  20           HA       ARG  20   5.384   6.056   1.033
  124    HE   ARG  20           HE       ARG  20   4.434  10.291  -1.009
  125    HB2  ARG  20           HB2      ARG  20   2.846   6.299  -0.431
  126    HB3  ARG  20           HB1      ARG  20   3.033   7.409   0.921
  127    HG2  ARG  20           HG2      ARG  20   5.161   7.080  -1.162
  128    HG3  ARG  20           HG1      ARG  20   3.808   8.199  -1.372
  129    HD2  ARG  20           HD2      ARG  20   4.661   8.823   1.139
  130    HD3  ARG  20           HD1      ARG  20   6.175   8.384   0.351
  131   HH11  ARG  20          1HH1      ARG  20   7.311   9.673   0.855
  132   HH12  ARG  20          2HH1      ARG  20   8.044  11.193   0.471
  133   HH21  ARG  20          1HH2      ARG  20   5.392  12.296  -1.525
  134   HH22  ARG  20          2HH2      ARG  20   6.952  12.686  -0.882
  135    H    LEU  21           HN       LEU  21   4.910   7.106   2.993
  136    HA   LEU  21           HA       LEU  21   2.907   5.842   4.715
  137    HG   LEU  21           HG       LEU  21   4.758   3.882   4.415
  138    HB2  LEU  21           HB2      LEU  21   5.856   6.069   5.236
  139    HB3  LEU  21           HB1      LEU  21   4.710   5.984   6.560
  140   HD11  LEU  21          1HD1      LEU  21   6.378   2.642   5.506
  141   HD12  LEU  21          2HD1      LEU  21   6.223   3.564   7.002
  142   HD13  LEU  21          3HD1      LEU  21   7.022   4.282   5.604
  143   HD21  LEU  21          3HD2      LEU  21   4.079   2.691   6.749
  144   HD22  LEU  21          1HD2      LEU  21   2.920   3.364   5.603
  145   HD23  LEU  21          2HD2      LEU  21   3.430   4.311   7.001
  146    H    GLN  22           HN       GLN  22   1.607   7.560   5.026
  147    HA   GLN  22           HA       GLN  22   0.859   9.583   5.735
  148    HB2  GLN  22           HB2      GLN  22   2.962   8.842   7.511
  149    HB3  GLN  22           HB1      GLN  22   3.063  10.576   7.240
  150    HG2  GLN  22           HG2      GLN  22   0.348  10.012   7.640
  151    HG3  GLN  22           HG1      GLN  22   1.227   9.090   8.858
  152   HE21  GLN  22          1HE2      GLN  22   1.293  12.315   7.375
  153   HE22  GLN  22          2HE2      GLN  22   1.539  13.177   8.853
  154    H    SER  23           HN       SER  23   2.835   9.286   3.402
  155    HA   SER  23           HA       SER  23   3.692  10.623   1.780
  156    HG   SER  23           HG       SER  23   3.462  12.570   0.704
  157    HB2  SER  23           HB2      SER  23   1.535  11.837   2.092
  158    HB3  SER  23           HB1      SER  23   2.341  12.896   3.249
  159    H    GLY  24           HN       GLY  24   4.748  10.645   4.838
  160    HA2  GLY  24           HA2      GLY  24   6.584  12.892   4.645
  161    HA3  GLY  24           HA1      GLY  24   6.445  11.772   5.991
  162    H    ALA  25           HN       ALA  25   6.547   9.547   3.905
  163    HA   ALA  25           HA       ALA  25   9.064   9.605   2.638
  164    HB1  ALA  25           HB1      ALA  25   9.369   7.671   4.812
  165    HB2  ALA  25           HB2      ALA  25   9.370   9.353   5.344
  166    HB3  ALA  25           HB3      ALA  25  10.533   8.810   4.134
  167    H    TRP  26           HN       TRP  26   9.812   7.017   2.558
  168    HA   TRP  26           HA       TRP  26   7.367   5.626   1.679
  169    HD1  TRP  26           HD1      TRP  26   9.902   8.077  -0.271
  170    HE1  TRP  26           HE1      TRP  26   8.563   9.101  -2.216
  171    HE3  TRP  26           HE3      TRP  26   6.741   4.174  -1.226
  172    HZ2  TRP  26           HZ2      TRP  26   6.448   8.356  -3.926
  173    HZ3  TRP  26           HZ3      TRP  26   5.088   4.412  -3.032
  174    HH2  TRP  26           HH2      TRP  26   4.945   6.461  -4.351
  175    HB2  TRP  26           HB2      TRP  26  10.166   5.522   0.552
  176    HB3  TRP  26           HB1      TRP  26   8.894   4.397   0.094
  177    H    GLY  27           HN       GLY  27   7.594   3.211   1.654
  178    HA2  GLY  27           HA2      GLY  27   9.291   2.275   3.886
  179    HA3  GLY  27           HA1      GLY  27   7.583   1.871   3.833
  180    H    CYS  28           HN       CYS  28   9.847   0.059   3.884
  181    HA   CYS  28           HA       CYS  28   9.669  -1.169   1.219
  182    HB2  CYS  28           HB2      CYS  28  11.649  -1.641   3.450
  183    HB3  CYS  28           HB1      CYS  28  11.624  -2.527   1.933
  184    H    CYS  29           HN       CYS  29   8.090  -2.592   1.070
  185    HA   CYS  29           HA       CYS  29   7.469  -4.296   3.381
  186    HB2  CYS  29           HB2      CYS  29   5.825  -2.900   1.546
  187    HB3  CYS  29           HB1      CYS  29   5.614  -4.615   1.207
  188    HA   PRO  30           HA       PRO  30   9.360  -7.636   1.199
  189    HB2  PRO  30           HB2      PRO  30   8.362  -9.729   2.596
  190    HB3  PRO  30           HB1      PRO  30   9.617  -8.657   3.225
  191    HG2  PRO  30           HG2      PRO  30   6.701  -8.715   3.817
  192    HG3  PRO  30           HG1      PRO  30   8.065  -8.374   4.890
  193    HD2  PRO  30           HD2      PRO  30   6.439  -6.452   3.783
  194    HD3  PRO  30           HD1      PRO  30   8.097  -6.165   4.344
  195    H    PHE  31           HN       PHE  31   7.000  -6.589  -0.021
  196    HA   PHE  31           HA       PHE  31   5.522  -7.085  -1.660
  197    HD1  PHE  31           HD2      PHE  31   4.453  -9.432  -3.702
  198    HD2  PHE  31           HD1      PHE  31   8.154  -7.339  -3.808
  199    HE1  PHE  31           HE2      PHE  31   3.992  -8.749  -6.014
  200    HE2  PHE  31           HE1      PHE  31   7.704  -6.646  -6.121
  201    HZ   PHE  31           HZ       PHE  31   5.620  -7.353  -7.236
  202    HB2  PHE  31           HB2      PHE  31   7.671  -8.775  -2.022
  203    HB3  PHE  31           HB1      PHE  31   6.291  -9.867  -2.071
  204    H    THR  32           HN       THR  32   3.516  -7.942  -2.016
  205    HA   THR  32           HA       THR  32   2.475 -10.262  -0.837
  206    HB   THR  32           HB       THR  32   0.834  -8.469   0.561
  207    HG1  THR  32           HG1      THR  32   2.546  -7.580   2.000
  208   HG21  THR  32          3HG2      THR  32   1.061 -10.508   1.567
  209   HG22  THR  32          1HG2      THR  32   2.197  -9.582   2.548
  210   HG23  THR  32          2HG2      THR  32   2.791 -10.601   1.237
  211    H    GLN  33           HN       GLN  33   2.411  -9.081  -3.357
  212    HA   GLN  33           HA       GLN  33   1.007  -8.656  -5.090
  213    HB2  GLN  33           HB2      GLN  33  -1.297  -9.406  -3.302
  214    HB3  GLN  33           HB1      GLN  33  -1.164  -9.591  -5.045
  215    HG2  GLN  33           HG2      GLN  33   0.042 -11.508  -4.894
  216    HG3  GLN  33           HG1      GLN  33   0.797 -11.045  -3.370
  217   HE21  GLN  33          1HE2      GLN  33  -0.209 -11.527  -1.451
  218   HE22  GLN  33          2HE2      GLN  33  -1.583 -12.570  -1.343
  219    H    ALA  34           HN       ALA  34   1.688  -6.514  -3.335
  220    HA   ALA  34           HA       ALA  34   1.184  -4.333  -2.937
  221    HB1  ALA  34           HB1      ALA  34   0.100  -4.967  -5.456
  222    HB2  ALA  34           HB2      ALA  34   0.565  -3.380  -4.839
  223    HB3  ALA  34           HB3      ALA  34  -1.088  -3.958  -4.629
  224    H    VAL  35           HN       VAL  35   0.471  -4.500  -0.831
  225    HA   VAL  35           HA       VAL  35  -2.452  -4.631  -0.465
  226    HB   VAL  35           HB       VAL  35  -0.267  -5.398   1.476
  227   HG11  VAL  35          1HG1      VAL  35  -2.288  -4.251   2.484
  228   HG12  VAL  35          2HG1      VAL  35  -1.924  -5.866   3.094
  229   HG13  VAL  35          3HG1      VAL  35  -3.230  -5.635   1.931
  230   HG21  VAL  35          3HG2      VAL  35  -0.661  -7.558   0.971
  231   HG22  VAL  35          1HG2      VAL  35  -1.260  -6.887  -0.547
  232   HG23  VAL  35          2HG2      VAL  35  -2.391  -7.299   0.742
  233    H    CYS  36           HN       CYS  36   0.333  -3.415   1.409
  234    HA   CYS  36           HA       CYS  36   0.664  -1.478   2.554
  235    HB2  CYS  36           HB2      CYS  36   0.108  -0.780  -0.034
  236    HB3  CYS  36           HB1      CYS  36  -1.081   0.169   0.851
  237    H    CYS  37           HN       CYS  37  -1.558  -3.131   3.334
  238    HA   CYS  37           HA       CYS  37  -2.902  -1.262   5.046
  239    HB2  CYS  37           HB2      CYS  37  -4.432  -0.906   3.312
  240    HB3  CYS  37           HB1      CYS  37  -4.357  -2.579   2.773
  241    H    GLU  38           HN       GLU  38  -4.048  -4.389   3.838
  242    HA   GLU  38           HA       GLU  38  -2.947  -5.915   5.968
  243    HB2  GLU  38           HB2      GLU  38  -4.920  -6.390   7.243
  244    HB3  GLU  38           HB1      GLU  38  -4.735  -4.643   7.172
  245    HG2  GLU  38           HG2      GLU  38  -6.887  -4.627   6.608
  246    HG3  GLU  38           HG1      GLU  38  -6.324  -5.121   5.012
  247    H    ASP  39           HN       ASP  39  -3.142  -8.104   5.607
  248    HA   ASP  39           HA       ASP  39  -5.085  -9.219   3.839
  249    HB2  ASP  39           HB2      ASP  39  -2.911  -8.072   2.552
  250    HB3  ASP  39           HB1      ASP  39  -2.487  -9.780   2.636
  251    H    HIS  40           HN       HIS  40  -1.728  -9.775   4.923
  252    HA   HIS  40           HA       HIS  40  -2.605 -12.169   6.331
  253    HD1  HIS  40           HD1      HIS  40  -2.507 -15.192   5.064
  254    HD2  HIS  40           HD2      HIS  40   1.227 -13.713   6.133
  255    HE1  HIS  40           HE1      HIS  40  -1.318 -17.108   6.179
  256    HE2  HIS  40           HE2      HIS  40   0.974 -16.218   6.727
  257    HB2  HIS  40           HB2      HIS  40  -1.998 -12.926   4.043
  258    HB3  HIS  40           HB1      HIS  40  -0.383 -12.266   4.279
  259    H    ILE  41           HN       ILE  41   0.206 -10.199   5.396
  260    HA   ILE  41           HA       ILE  41   1.223 -10.515   8.144
  261    HB   ILE  41           HB       ILE  41   2.617 -11.511   6.264
  262   HG12  ILE  41          2HG1      ILE  41   4.669  -9.932   7.253
  263   HG13  ILE  41          1HG1      ILE  41   3.430  -9.815   8.499
  264   HG21  ILE  41          1HG2      ILE  41   3.410 -10.271   4.587
  265   HG22  ILE  41          2HG2      ILE  41   3.869  -8.953   5.663
  266   HG23  ILE  41          3HG2      ILE  41   2.212  -9.071   5.071
  267   HD11  ILE  41          3HD1      ILE  41   5.287 -11.798   8.283
  268   HD12  ILE  41          1HD1      ILE  41   3.863 -12.534   7.545
  269   HD13  ILE  41          2HD1      ILE  41   3.778 -11.902   9.190
  270    H    HIS  42           HN       HIS  42  -0.256  -8.391   6.126
  271    HA   HIS  42           HA       HIS  42  -0.622  -6.149   6.157
  272    HD1  HIS  42           HD1      HIS  42  -2.795  -5.832   8.218
  273    HD2  HIS  42           HD2      HIS  42  -0.011  -8.265  10.117
  274    HE1  HIS  42           HE1      HIS  42  -4.141  -7.422   9.626
  275    HE2  HIS  42           HE2      HIS  42  -2.434  -8.845  10.812
  276    HB2  HIS  42           HB2      HIS  42   0.933  -6.076   8.745
  277    HB3  HIS  42           HB1      HIS  42  -0.295  -4.940   8.197
  278    H    CYS  43           HN       CYS  43   0.495  -3.996   6.081
  279    HA   CYS  43           HA       CYS  43   3.253  -4.358   5.116
  280    HB2  CYS  43           HB2      CYS  43   0.987  -3.208   3.862
  281    HB3  CYS  43           HB1      CYS  43   2.108  -1.895   4.205
  282    H    CYS  44           HN       CYS  44   1.347  -2.926   7.498
  283    HA   CYS  44           HA       CYS  44   3.034  -0.638   7.986
  284    HB2  CYS  44           HB2      CYS  44   0.988  -1.797   9.875
  285    HB3  CYS  44           HB1      CYS  44   1.571  -0.138   9.794
  286    HA   PRO  45           HA       PRO  45   5.956  -2.566  10.680
  287    HB2  PRO  45           HB2      PRO  45   6.033  -0.236  12.429
  288    HB3  PRO  45           HB1      PRO  45   7.247  -0.805  11.283
  289    HG2  PRO  45           HG2      PRO  45   5.823   1.468  10.902
  290    HG3  PRO  45           HG1      PRO  45   6.410   0.465   9.564
  291    HD2  PRO  45           HD2      PRO  45   3.671   0.601  10.770
  292    HD3  PRO  45           HD1      PRO  45   4.144   0.499   9.061
  293    H    ALA  46           HN       ALA  46   3.152  -3.046  11.368
  294    HA   ALA  46           HA       ALA  46   1.965  -4.049  13.020
  295    HB1  ALA  46           HB1      ALA  46   3.962  -5.300  13.533
  296    HB2  ALA  46           HB2      ALA  46   3.152  -4.845  15.033
  297    HB3  ALA  46           HB3      ALA  46   4.587  -3.967  14.505
  298    H    GLY  47           HN       GLY  47   0.444  -3.158  14.242
  299    HA2  GLY  47           HA2      GLY  47  -0.161  -1.959  16.264
  300    HA3  GLY  47           HA1      GLY  47   1.189  -0.878  15.960
  301    H    PHE  48           HN       PHE  48   0.775  -0.359  13.247
  302    HA   PHE  48           HA       PHE  48  -1.454   1.485  13.444
  303    HD1  PHE  48           HD1      PHE  48   2.411   0.491  12.293
  304    HD2  PHE  48           HD2      PHE  48   0.353   4.085  13.268
  305    HE1  PHE  48           HE1      PHE  48   4.388   1.280  13.523
  306    HE2  PHE  48           HE2      PHE  48   2.330   4.884  14.503
  307    HZ   PHE  48           HZ       PHE  48   4.349   3.479  14.631
  308    HB2  PHE  48           HB2      PHE  48   0.394   1.192  11.083
  309    HB3  PHE  48           HB1      PHE  48  -0.505   2.615  11.600
  310    H    THR  49           HN       THR  49  -2.739   1.832  11.364
  311    HA   THR  49           HA       THR  49  -3.393  -0.709  10.047
  312    HB   THR  49           HB       THR  49  -4.985  -0.156  11.987
  313    HG1  THR  49           HG1      THR  49  -5.367  -1.460   9.908
  314   HG21  THR  49          3HG2      THR  49  -5.982   1.869   9.978
  315   HG22  THR  49          1HG2      THR  49  -5.183   2.254  11.502
  316   HG23  THR  49          2HG2      THR  49  -6.752   1.448  11.508
  317    H    CYS  50           HN       CYS  50  -5.161  -0.153   8.262
  318    HA   CYS  50           HA       CYS  50  -3.910   1.845   6.578
  319    HB2  CYS  50           HB2      CYS  50  -6.176   0.815   5.269
  320    HB3  CYS  50           HB1      CYS  50  -4.494   0.376   5.000
  321    H    ASP  51           HN       ASP  51  -4.690   3.806   6.094
  322    HA   ASP  51           HA       ASP  51  -7.452   4.457   6.849
  323    HB2  ASP  51           HB2      ASP  51  -4.968   5.611   7.929
  324    HB3  ASP  51           HB1      ASP  51  -6.152   6.800   7.395
  325    H    THR  52           HN       THR  52  -7.728   6.962   6.096
  326    HA   THR  52           HA       THR  52  -8.053   8.343   4.321
  327    HB   THR  52           HB       THR  52  -5.682   7.391   2.818
  328    HG1  THR  52           HG1      THR  52  -4.264   8.328   4.337
  329   HG21  THR  52          3HG2      THR  52  -5.339   9.700   2.432
  330   HG22  THR  52          1HG2      THR  52  -6.374  10.158   3.784
  331   HG23  THR  52          2HG2      THR  52  -7.082   9.454   2.330
  332    H    GLN  53           HN       GLN  53  -8.648   5.290   4.229
  333    HA   GLN  53           HA       GLN  53  -9.687   3.835   2.824
  334    HB2  GLN  53           HB2      GLN  53 -10.901   6.163   2.419
  335    HB3  GLN  53           HB1      GLN  53 -10.199   5.972   0.818
  336    HG2  GLN  53           HG2      GLN  53 -11.537   4.216   0.285
  337    HG3  GLN  53           HG1      GLN  53 -11.656   3.657   1.953
  338   HE21  GLN  53          1HE2      GLN  53 -12.781   6.084  -0.324
  339   HE22  GLN  53          2HE2      GLN  53 -14.269   6.425   0.486
  340    H    LYS  54           HN       LYS  54  -6.810   4.900   2.281
  341    HA   LYS  54           HA       LYS  54  -6.564   3.722  -0.409
  342    HB2  LYS  54           HB2      LYS  54  -5.943   6.184  -0.105
  343    HB3  LYS  54           HB1      LYS  54  -4.569   5.610   0.831
  344    HG2  LYS  54           HG2      LYS  54  -3.844   4.290  -1.139
  345    HG3  LYS  54           HG1      LYS  54  -5.157   5.023  -2.062
  346    HD2  LYS  54           HD2      LYS  54  -4.082   6.994  -2.267
  347    HD3  LYS  54           HD1      LYS  54  -3.434   6.924  -0.627
  348    HE2  LYS  54           HE2      LYS  54  -1.721   6.823  -2.458
  349    HE3  LYS  54           HE1      LYS  54  -1.659   5.495  -1.300
  350    HZ1  LYS  54           HZ1      LYS  54  -2.564   4.020  -2.832
  351    HZ2  LYS  54           HZ2      LYS  54  -1.495   4.937  -3.767
  352    HZ3  LYS  54           HZ3      LYS  54  -3.157   5.246  -3.834
  353    H    GLY  55           HN       GLY  55  -4.463   4.339   2.414
  354    HA2  GLY  55           HA2      GLY  55  -4.018   1.791   3.272
  355    HA3  GLY  55           HA1      GLY  55  -2.937   1.956   1.897
  356    H    THR  56           HN       THR  56  -3.815   4.487   4.194
  357    HA   THR  56           HA       THR  56  -1.008   4.977   4.720
  358    HB   THR  56           HB       THR  56  -3.435   6.400   5.836
  359    HG1  THR  56           HG1      THR  56  -1.794   6.936   3.570
  360   HG21  THR  56          3HG2      THR  56  -1.578   8.253   5.972
  361   HG22  THR  56          1HG2      THR  56  -0.491   6.865   6.018
  362   HG23  THR  56          2HG2      THR  56  -1.737   7.050   7.253
  363    H    CYS  57           HN       CYS  57   0.065   4.061   6.338
  364    HA   CYS  57           HA       CYS  57  -1.356   2.610   8.398
  365    HB2  CYS  57           HB2      CYS  57   1.597   2.949   7.850
  366    HB3  CYS  57           HB1      CYS  57   0.941   1.944   9.137
  367    H    GLU  58           HN       GLU  58  -2.103   3.656  10.119
  368    HA   GLU  58           HA       GLU  58  -0.323   5.518  11.507
  369    HB2  GLU  58           HB2      GLU  58  -3.223   6.124  10.899
  370    HB3  GLU  58           HB1      GLU  58  -2.139   7.125  11.854
  371    HG2  GLU  58           HG2      GLU  58  -0.790   6.801   9.471
  372    HG3  GLU  58           HG1      GLU  58  -2.476   6.962   8.982
  373    H    GLN  59           HN       GLN  59  -1.117   6.032  13.720
  374    HA   GLN  59           HA       GLN  59  -1.458   3.764  15.246
  375    HB2  GLN  59           HB2      GLN  59  -2.283   6.591  15.926
  376    HB3  GLN  59           HB1      GLN  59  -2.101   5.286  17.090
  377    HG2  GLN  59           HG2      GLN  59   0.131   5.454  17.126
  378    HG3  GLN  59           HG1      GLN  59   0.241   5.749  15.390
  379   HE21  GLN  59          1HE2      GLN  59  -0.262   7.905  14.635
  380   HE22  GLN  59          2HE2      GLN  59   0.059   9.260  15.658
  381    H    LYS  60           HN       LYS  60  -3.058   2.360  14.911
  382    HA   LYS  60           HA       LYS  60  -5.117   1.439  14.758
  383    HB2  LYS  60           HB2      LYS  60  -6.442   1.854  16.551
  384    HB3  LYS  60           HB1      LYS  60  -5.043   2.779  17.073
  385    HG2  LYS  60           HG2      LYS  60  -6.092   4.821  16.174
  386    HG3  LYS  60           HG1      LYS  60  -7.515   3.870  15.744
  387    HD2  LYS  60           HD2      LYS  60  -7.097   3.222  18.390
  388    HD3  LYS  60           HD1      LYS  60  -6.689   4.938  18.325
  389    HE2  LYS  60           HE2      LYS  60  -8.828   5.523  18.115
  390    HE3  LYS  60           HE1      LYS  60  -9.090   4.355  16.821
  391    HZ1  LYS  60           HZ1      LYS  60  -9.277   2.631  18.591
  392    HZ2  LYS  60           HZ2      LYS  60 -10.515   3.783  18.609
  393    HZ3  LYS  60           HZ3      LYS  60  -9.262   3.871  19.741
  394    H    LEU  61           HN       LEU  61  -7.606   2.076  14.385
  395    HA   LEU  61           HA       LEU  61  -7.596   3.461  11.847
  396    HG   LEU  61           HG       LEU  61  -8.820   1.187  14.195
  397    HB2  LEU  61           HB2      LEU  61 -10.243   2.786  12.582
  398    HB3  LEU  61           HB1      LEU  61  -9.224   2.028  11.376
  399   HD11  LEU  61          1HD1      LEU  61 -11.400   1.324  13.287
  400   HD12  LEU  61          2HD1      LEU  61 -10.805   0.220  14.528
  401   HD13  LEU  61          3HD1      LEU  61 -10.927  -0.318  12.852
  402   HD21  LEU  61          3HD2      LEU  61  -8.919  -0.268  11.554
  403   HD22  LEU  61          1HD2      LEU  61  -8.495  -0.986  13.107
  404   HD23  LEU  61          2HD2      LEU  61  -7.463   0.257  12.399
  405    H    ALA  62           HN       ALA  62  -8.750   5.301  11.319
  406    HA   ALA  62           HA       ALA  62  -9.811   6.849  13.593
  407    HB1  ALA  62           HB1      ALA  62  -8.755   8.789  12.889
  408    HB2  ALA  62           HB2      ALA  62  -8.498   8.176  11.254
  409    HB3  ALA  62           HB3      ALA  62  -7.533   7.552  12.593
  410    H    ALA  63           HN       ALA  63  -9.742   6.987  10.022
  411    HA   ALA  63           HA       ALA  63 -12.667   7.183  10.030
  412    HB1  ALA  63           HB1      ALA  63 -12.674   9.319   9.431
  413    HB2  ALA  63           HB2      ALA  63 -11.716   8.924   8.004
  414    HB3  ALA  63           HB3      ALA  63 -10.913   9.357   9.513
  415    H    ALA  64           HN       ALA  64 -12.851   7.748   7.241
  416    HA   ALA  64           HA       ALA  64 -13.004   6.674   5.249
  417    HB1  ALA  64           HB1      ALA  64 -10.301   6.664   5.941
  418    HB2  ALA  64           HB2      ALA  64 -10.995   6.422   4.338
  419    HB3  ALA  64           HB3      ALA  64 -10.641   5.033   5.365
  420    H    LEU  65           HN       LEU  65 -11.120   3.971   6.362
  421    HA   LEU  65           HA       LEU  65 -11.611   1.785   6.733
  422    HG   LEU  65           HG       LEU  65 -12.970   0.221   8.246
  423    HB2  LEU  65           HB2      LEU  65 -13.342   3.215   8.345
  424    HB3  LEU  65           HB1      LEU  65 -14.409   2.121   7.487
  425   HD11  LEU  65          1HD1      LEU  65 -11.104   0.493   9.453
  426   HD12  LEU  65          2HD1      LEU  65 -11.802   1.791  10.421
  427   HD13  LEU  65          3HD1      LEU  65 -11.130   2.142   8.828
  428   HD21  LEU  65          3HD2      LEU  65 -14.071   1.875  10.510
  429   HD22  LEU  65          1HD2      LEU  65 -13.904   0.121  10.443
  430   HD23  LEU  65          2HD2      LEU  65 -15.066   0.936   9.397
  431    H    GLU  66           HN       GLU  66 -13.209  -0.013   6.125
  432    HA   GLU  66           HA       GLU  66 -13.867   0.346   3.336
  433    HB2  GLU  66           HB2      GLU  66 -14.005  -2.039   5.182
  434    HB3  GLU  66           HB1      GLU  66 -14.491  -2.098   3.492
  435    HG2  GLU  66           HG2      GLU  66 -12.399  -2.432   2.872
  436    HG3  GLU  66           HG1      GLU  66 -11.896  -0.938   3.660
  437    H    HIS  67           HN       HIS  67 -15.963  -0.464   2.473
  438    HA   HIS  67           HA       HIS  67 -18.250  -0.534   4.185
  439    HD1  HIS  67           HD1      HIS  67 -15.681   2.159   2.515
  440    HD2  HIS  67           HD2      HIS  67 -19.474   2.763   0.930
  441    HE1  HIS  67           HE1      HIS  67 -15.326   3.483   0.406
  442    HE2  HIS  67           HE2      HIS  67 -17.628   3.772  -0.575
  443    HB2  HIS  67           HB2      HIS  67 -19.347   1.496   3.309
  444    HB3  HIS  67           HB1      HIS  67 -17.882   1.878   4.206
  445    H    HIS  68           HN       HIS  68 -17.031  -2.126   2.094
  446    HA   HIS  68           HA       HIS  68 -19.137  -2.027   0.038
  447    HD1  HIS  68           HD1      HIS  68 -14.747  -1.452  -1.050
  448    HD2  HIS  68           HD2      HIS  68 -15.985  -4.461   1.536
  449    HE1  HIS  68           HE1      HIS  68 -12.695  -2.115   0.244
  450    HE2  HIS  68           HE2      HIS  68 -13.492  -3.865   1.871
  451    HB2  HIS  68           HB2      HIS  68 -17.406  -3.584  -1.183
  452    HB3  HIS  68           HB1      HIS  68 -17.186  -1.837  -1.186
  453    H    HIS  69           HN       HIS  69 -18.968  -3.368   2.794
  454    HA   HIS  69           HA       HIS  69 -19.814  -6.031   1.865
  455    HD1  HIS  69           HD1      HIS  69 -20.065  -8.394   3.810
  456    HD2  HIS  69           HD2      HIS  69 -16.266  -7.573   2.342
  457    HE1  HIS  69           HE1      HIS  69 -19.156 -10.604   3.028
  458    HE2  HIS  69           HE2      HIS  69 -16.892 -10.067   2.062
  459    HB2  HIS  69           HB2      HIS  69 -17.599  -5.513   3.476
  460    HB3  HIS  69           HB1      HIS  69 -18.846  -6.032   4.606
  461    H    HIS  70           HN       HIS  70 -21.233  -7.150   3.504
  462    HA   HIS  70           HA       HIS  70 -23.356  -5.355   4.242
  463    HD1  HIS  70           HD1      HIS  70 -26.255  -7.098   5.282
  464    HD2  HIS  70           HD2      HIS  70 -24.513  -7.133   1.510
  465    HE1  HIS  70           HE1      HIS  70 -28.136  -6.672   3.669
  466    HE2  HIS  70           HE2      HIS  70 -27.041  -6.600   1.401
  467    HB2  HIS  70           HB2      HIS  70 -23.070  -8.167   3.741
  468    HB3  HIS  70           HB1      HIS  70 -23.859  -7.933   5.297
  469    H    HIS  71           HN       HIS  71 -24.432  -5.662   6.434
  470    HA   HIS  71           HA       HIS  71 -22.369  -5.765   8.538
  471    HD1  HIS  71           HD1      HIS  71 -21.305  -2.992   8.004
  472    HD2  HIS  71           HD2      HIS  71 -25.190  -2.546   6.601
  473    HE1  HIS  71           HE1      HIS  71 -21.164  -1.275   6.173
  474    HE2  HIS  71           HE2      HIS  71 -23.539  -0.966   5.390
  475    HB2  HIS  71           HB2      HIS  71 -24.839  -4.088   8.822
  476    HB3  HIS  71           HB1      HIS  71 -23.274  -3.905   9.608
  477    H    HIS  72           HN       HIS  72 -25.057  -7.245   7.327
  478    HA   HIS  72           HA       HIS  72 -26.407  -7.889   9.777
  479    HD1  HIS  72           HD1      HIS  72 -27.074  -5.949   7.523
  480    HD2  HIS  72           HD2      HIS  72 -30.039  -8.809   8.072
  481    HE1  HIS  72           HE1      HIS  72 -29.249  -4.688   7.446
  482    HE2  HIS  72           HE2      HIS  72 -31.030  -6.451   7.700
  483    HB2  HIS  72           HB2      HIS  72 -26.628  -8.838   6.934
  484    HB3  HIS  72           HB1      HIS  72 -27.484  -9.672   8.226
  Start of MODEL    3
    1    HA   ALA   1           HA       ALA   1  21.272  -7.073  -7.623
    2    H1   ALA   1           HT1      ALA   1  19.924  -9.075  -5.951
    3    H2   ALA   1           HT2      ALA   1  19.948  -7.454  -5.468
    4    H3   ALA   1           HT3      ALA   1  21.402  -8.286  -5.705
    5    HB1  ALA   1           HB1      ALA   1  20.999  -9.783  -7.803
    6    HB2  ALA   1           HB2      ALA   1  21.351  -8.704  -9.154
    7    HB3  ALA   1           HB3      ALA   1  19.692  -9.212  -8.839
    8    H    MET   2           HN       MET   2  20.184  -5.639  -8.853
    9    HA   MET   2           HA       MET   2  18.509  -4.245  -9.504
   10    HB2  MET   2           HB2      MET   2  17.910  -6.406 -10.698
   11    HB3  MET   2           HB1      MET   2  16.728  -6.679  -9.426
   12    HG2  MET   2           HG2      MET   2  15.287  -5.205 -10.279
   13    HG3  MET   2           HG1      MET   2  16.552  -4.036 -10.656
   14    HE1  MET   2           HE1      MET   2  14.175  -6.541 -13.332
   15    HE2  MET   2           HE2      MET   2  13.947  -4.813 -13.062
   16    HE3  MET   2           HE3      MET   2  13.935  -5.927 -11.696
   17    H    ASP   3           HN       ASP   3  18.504  -3.114  -7.503
   18    HA   ASP   3           HA       ASP   3  16.437  -3.868  -5.575
   19    HB2  ASP   3           HB2      ASP   3  17.462  -2.285  -4.069
   20    HB3  ASP   3           HB1      ASP   3  18.728  -3.291  -4.766
   21    H    VAL   4           HN       VAL   4  14.724  -2.543  -5.031
   22    HA   VAL   4           HA       VAL   4  13.883  -0.710  -7.107
   23    HB   VAL   4           HB       VAL   4  12.343  -1.186  -4.577
   24   HG11  VAL   4          1HG1      VAL   4  11.436   0.456  -6.072
   25   HG12  VAL   4          2HG1      VAL   4  10.429  -0.990  -6.153
   26   HG13  VAL   4          3HG1      VAL   4  11.581  -0.644  -7.443
   27   HG21  VAL   4          3HG2      VAL   4  12.416  -3.391  -4.957
   28   HG22  VAL   4          1HG2      VAL   4  13.087  -3.184  -6.574
   29   HG23  VAL   4          2HG2      VAL   4  11.348  -3.052  -6.317
   30    H    LYS   5           HN       LYS   5  14.303   1.388  -7.069
   31    HA   LYS   5           HA       LYS   5  14.877   2.679  -4.487
   32    HB2  LYS   5           HB2      LYS   5  15.763   3.298  -7.298
   33    HB3  LYS   5           HB1      LYS   5  15.913   4.472  -5.999
   34    HG2  LYS   5           HG2      LYS   5  17.002   2.017  -5.091
   35    HG3  LYS   5           HG1      LYS   5  17.664   2.357  -6.691
   36    HD2  LYS   5           HD2      LYS   5  19.001   3.919  -5.846
   37    HD3  LYS   5           HD1      LYS   5  17.620   4.765  -5.145
   38    HE2  LYS   5           HE2      LYS   5  18.181   2.426  -3.602
   39    HE3  LYS   5           HE1      LYS   5  19.666   3.354  -3.808
   40    HZ1  LYS   5           HZ1      LYS   5  18.557   4.121  -1.861
   41    HZ2  LYS   5           HZ2      LYS   5  17.096   4.326  -2.687
   42    HZ3  LYS   5           HZ3      LYS   5  18.412   5.329  -3.035
   43    H    CYS   6           HN       CYS   6  13.560   4.241  -3.753
   44    HA   CYS   6           HA       CYS   6  11.483   5.245  -5.587
   45    HB2  CYS   6           HB2      CYS   6  11.286   4.033  -2.994
   46    HB3  CYS   6           HB1      CYS   6  10.684   5.685  -2.907
   47    H    ASP   7           HN       ASP   7  13.537   6.126  -2.826
   48    HA   ASP   7           HA       ASP   7  13.511   8.896  -3.800
   49    HB2  ASP   7           HB2      ASP   7  11.968   8.406  -1.749
   50    HB3  ASP   7           HB1      ASP   7  13.481   8.358  -0.849
   51    H    MET   8           HN       MET   8  15.223  10.174  -2.351
   52    HA   MET   8           HA       MET   8  17.720   8.753  -2.759
   53    HB2  MET   8           HB2      MET   8  18.751  10.971  -2.235
   54    HB3  MET   8           HB1      MET   8  17.641  10.998  -3.598
   55    HG2  MET   8           HG2      MET   8  16.453  12.591  -2.640
   56    HG3  MET   8           HG1      MET   8  16.185  11.580  -1.221
   57    HE1  MET   8           HE1      MET   8  18.212  14.465  -2.834
   58    HE2  MET   8           HE2      MET   8  19.441  13.201  -2.778
   59    HE3  MET   8           HE3      MET   8  19.598  14.629  -1.756
   60    H    GLU   9           HN       GLU   9  16.144   7.750  -0.658
   61    HA   GLU   9           HA       GLU   9  18.066   7.818   1.471
   62    HB2  GLU   9           HB2      GLU   9  16.499   9.841   1.815
   63    HB3  GLU   9           HB1      GLU   9  15.276   8.649   2.235
   64    HG2  GLU   9           HG2      GLU   9  16.360   8.015   4.167
   65    HG3  GLU   9           HG1      GLU   9  17.927   8.592   3.600
   66    H    VAL  10           HN       VAL  10  14.946   6.799   0.235
   67    HA   VAL  10           HA       VAL  10  14.880   4.469   1.978
   68    HB   VAL  10           HB       VAL  10  12.960   5.193  -0.239
   69   HG11  VAL  10          1HG1      VAL  10  11.825   3.353   0.292
   70   HG12  VAL  10          2HG1      VAL  10  11.907   3.718   2.016
   71   HG13  VAL  10          3HG1      VAL  10  13.232   2.856   1.234
   72   HG21  VAL  10          3HG2      VAL  10  13.362   6.416   2.338
   73   HG22  VAL  10          1HG2      VAL  10  11.761   5.685   2.237
   74   HG23  VAL  10          2HG2      VAL  10  12.264   6.876   1.037
   75    H    SER  11           HN       SER  11  15.546   2.492   1.408
   76    HA   SER  11           HA       SER  11  16.017   1.930  -1.443
   77    HG   SER  11           HG       SER  11  18.543   1.875   1.542
   78    HB2  SER  11           HB2      SER  11  17.962   0.520   0.063
   79    HB3  SER  11           HB1      SER  11  18.223   1.813  -1.107
   80    H    CYS  12           HN       CYS  12  14.281   0.597  -1.691
   81    HA   CYS  12           HA       CYS  12  14.054  -1.726   0.091
   82    HB2  CYS  12           HB2      CYS  12  12.119  -0.901  -2.078
   83    HB3  CYS  12           HB1      CYS  12  11.832  -2.021  -0.751
   84    HA   PRO  13           HA       PRO  13  16.149  -3.622  -3.469
   85    HB2  PRO  13           HB2      PRO  13  17.508  -5.481  -2.125
   86    HB3  PRO  13           HB1      PRO  13  17.980  -3.774  -2.066
   87    HG2  PRO  13           HG2      PRO  13  16.397  -5.363  -0.074
   88    HG3  PRO  13           HG1      PRO  13  17.745  -4.247   0.211
   89    HD2  PRO  13           HD2      PRO  13  15.119  -3.541   0.488
   90    HD3  PRO  13           HD1      PRO  13  16.403  -2.392   0.062
   91    H    ASP  14           HN       ASP  14  16.669  -6.366  -3.328
   92    HA   ASP  14           HA       ASP  14  14.424  -7.495  -4.421
   93    HB2  ASP  14           HB2      ASP  14  17.021  -8.337  -3.815
   94    HB3  ASP  14           HB1      ASP  14  15.967  -9.510  -3.032
   95    H    GLY  15           HN       GLY  15  12.572  -8.290  -3.720
   96    HA2  GLY  15           HA2      GLY  15  11.051  -9.337  -2.323
   97    HA3  GLY  15           HA1      GLY  15  12.311  -9.483  -1.107
   98    H    TYR  16           HN       TYR  16  12.130  -6.320  -2.219
   99    HA   TYR  16           HA       TYR  16  10.340  -5.578   0.008
  100    HD1  TYR  16           HD2      TYR  16  14.210  -6.167  -0.238
  101    HD2  TYR  16           HD1      TYR  16  11.594  -4.194   2.472
  102    HE1  TYR  16           HE2      TYR  16  15.339  -7.272   1.640
  103    HE2  TYR  16           HE1      TYR  16  12.715  -5.286   4.362
  104    HH   TYR  16           HH       TYR  16  15.260  -6.317   4.649
  105    HB2  TYR  16           HB2      TYR  16  12.879  -4.231  -0.930
  106    HB3  TYR  16           HB1      TYR  16  11.736  -3.487   0.183
  107    H    THR  17           HN       THR  17   9.183  -3.609  -0.223
  108    HA   THR  17           HA       THR  17   8.841  -2.695  -3.004
  109    HB   THR  17           HB       THR  17   6.653  -3.173  -0.967
  110    HG1  THR  17           HG1      THR  17   6.224  -4.947  -2.094
  111   HG21  THR  17          3HG2      THR  17   5.188  -2.038  -2.258
  112   HG22  THR  17          1HG2      THR  17   5.959  -2.548  -3.760
  113   HG23  THR  17          2HG2      THR  17   6.633  -1.208  -2.834
  114    H    CYS  18           HN       CYS  18   8.663  -0.493  -3.277
  115    HA   CYS  18           HA       CYS  18   8.980   1.104  -0.834
  116    HB2  CYS  18           HB2      CYS  18  10.112   2.743  -2.110
  117    HB3  CYS  18           HB1      CYS  18  10.742   1.199  -2.668
  118    H    CYS  19           HN       CYS  19   7.210   2.027  -0.107
  119    HA   CYS  19           HA       CYS  19   5.451   3.434  -1.951
  120    HB2  CYS  19           HB2      CYS  19   4.746   0.911  -1.386
  121    HB3  CYS  19           HB1      CYS  19   4.049   1.708   0.020
  122    H    ARG  20           HN       ARG  20   4.483   5.191  -1.068
  123    HA   ARG  20           HA       ARG  20   5.516   6.384   1.200
  124    HE   ARG  20           HE       ARG  20   5.376  10.376  -1.479
  125    HB2  ARG  20           HB2      ARG  20   2.954   6.824  -0.313
  126    HB3  ARG  20           HB1      ARG  20   3.370   7.805   1.084
  127    HG2  ARG  20           HG2      ARG  20   5.317   7.505  -1.154
  128    HG3  ARG  20           HG1      ARG  20   3.966   8.633  -1.294
  129    HD2  ARG  20           HD2      ARG  20   4.816   9.371   1.101
  130    HD3  ARG  20           HD1      ARG  20   6.334   8.701   0.502
  131   HH11  ARG  20          1HH1      ARG  20   6.401  10.656   1.841
  132   HH12  ARG  20          2HH1      ARG  20   6.954  12.288   1.666
  133   HH21  ARG  20          1HH2      ARG  20   6.105  12.524  -1.716
  134   HH22  ARG  20          2HH2      ARG  20   6.788  13.348  -0.354
  135    H    LEU  21           HN       LEU  21   4.769   6.703   3.297
  136    HA   LEU  21           HA       LEU  21   2.956   4.605   4.271
  137    HG   LEU  21           HG       LEU  21   5.414   3.797   4.330
  138    HB2  LEU  21           HB2      LEU  21   5.171   6.159   5.594
  139    HB3  LEU  21           HB1      LEU  21   4.011   5.223   6.518
  140   HD11  LEU  21          1HD1      LEU  21   7.195   5.171   5.355
  141   HD12  LEU  21          2HD1      LEU  21   7.413   3.443   5.629
  142   HD13  LEU  21          3HD1      LEU  21   6.795   4.470   6.923
  143   HD21  LEU  21          3HD2      LEU  21   4.231   3.230   6.992
  144   HD22  LEU  21          1HD2      LEU  21   5.551   2.198   6.441
  145   HD23  LEU  21          2HD2      LEU  21   4.084   2.345   5.473
  146    H    GLN  22           HN       GLN  22   3.857   7.533   5.985
  147    HA   GLN  22           HA       GLN  22   1.027   8.189   6.283
  148    HB2  GLN  22           HB2      GLN  22   2.007   9.903   7.945
  149    HB3  GLN  22           HB1      GLN  22   2.062   8.199   8.377
  150    HG2  GLN  22           HG2      GLN  22   4.322   8.083   8.214
  151    HG3  GLN  22           HG1      GLN  22   4.408   9.320   6.960
  152   HE21  GLN  22          1HE2      GLN  22   3.179   9.173  10.291
  153   HE22  GLN  22          2HE2      GLN  22   4.016  10.581  10.842
  154    H    SER  23           HN       SER  23   2.517   8.638   3.798
  155    HA   SER  23           HA       SER  23   2.624  10.182   2.138
  156    HG   SER  23           HG       SER  23   0.253  11.212   1.316
  157    HB2  SER  23           HB2      SER  23   0.336  10.789   3.400
  158    HB3  SER  23           HB1      SER  23   1.222  12.287   3.685
  159    H    GLY  24           HN       GLY  24   4.280  10.329   4.828
  160    HA2  GLY  24           HA2      GLY  24   5.475  12.973   4.302
  161    HA3  GLY  24           HA1      GLY  24   5.603  12.096   5.821
  162    H    ALA  25           HN       ALA  25   5.976   9.635   3.946
  163    HA   ALA  25           HA       ALA  25   8.498  10.007   2.686
  164    HB1  ALA  25           HB1      ALA  25   8.603   8.488   5.287
  165    HB2  ALA  25           HB2      ALA  25   9.170  10.145   5.084
  166    HB3  ALA  25           HB3      ALA  25   9.943   8.834   4.193
  167    H    TRP  26           HN       TRP  26   9.561   7.692   2.373
  168    HA   TRP  26           HA       TRP  26   7.370   5.961   1.475
  169    HD1  TRP  26           HD1      TRP  26  10.354   8.535   0.004
  170    HE1  TRP  26           HE1      TRP  26   9.277   9.855  -1.928
  171    HE3  TRP  26           HE3      TRP  26   6.922   5.072  -1.525
  172    HZ2  TRP  26           HZ2      TRP  26   7.237   9.475  -3.844
  173    HZ3  TRP  26           HZ3      TRP  26   5.445   5.626  -3.412
  174    HH2  TRP  26           HH2      TRP  26   5.598   7.784  -4.542
  175    HB2  TRP  26           HB2      TRP  26  10.281   5.939   0.652
  176    HB3  TRP  26           HB1      TRP  26   8.996   4.964  -0.051
  177    H    GLY  27           HN       GLY  27   7.647   3.630   1.639
  178    HA2  GLY  27           HA2      GLY  27   9.359   2.819   3.896
  179    HA3  GLY  27           HA1      GLY  27   7.654   2.392   3.877
  180    H    CYS  28           HN       CYS  28   9.853   0.583   4.016
  181    HA   CYS  28           HA       CYS  28   9.763  -0.734   1.392
  182    HB2  CYS  28           HB2      CYS  28  11.661  -1.030   3.717
  183    HB3  CYS  28           HB1      CYS  28  11.657  -2.118   2.335
  184    H    CYS  29           HN       CYS  29   8.252  -2.229   1.196
  185    HA   CYS  29           HA       CYS  29   7.429  -3.765   3.559
  186    HB2  CYS  29           HB2      CYS  29   5.784  -2.418   2.017
  187    HB3  CYS  29           HB1      CYS  29   5.945  -3.807   0.950
  188    HA   PRO  30           HA       PRO  30   9.759  -7.095   1.651
  189    HB2  PRO  30           HB2      PRO  30   9.441  -8.902   3.605
  190    HB3  PRO  30           HB1      PRO  30  10.486  -7.488   3.818
  191    HG2  PRO  30           HG2      PRO  30   7.638  -7.872   4.686
  192    HG3  PRO  30           HG1      PRO  30   9.017  -7.289   5.643
  193    HD2  PRO  30           HD2      PRO  30   7.243  -5.597   4.531
  194    HD3  PRO  30           HD1      PRO  30   8.968  -5.191   4.652
  195    H    PHE  31           HN       PHE  31   7.679  -6.936   0.182
  196    HA   PHE  31           HA       PHE  31   6.684  -9.611  -0.065
  197    HD1  PHE  31           HD1      PHE  31   5.859  -5.883   0.105
  198    HD2  PHE  31           HD2      PHE  31   2.372  -8.326   0.091
  199    HE1  PHE  31           HE1      PHE  31   4.516  -3.957  -0.625
  200    HE2  PHE  31           HE2      PHE  31   1.025  -6.401  -0.640
  201    HZ   PHE  31           HZ       PHE  31   2.097  -4.215  -1.000
  202    HB2  PHE  31           HB2      PHE  31   4.437  -9.314   0.423
  203    HB3  PHE  31           HB1      PHE  31   5.204  -8.322   1.656
  204    H    THR  32           HN       THR  32   4.644  -9.316  -1.812
  205    HA   THR  32           HA       THR  32   5.995  -8.303  -4.154
  206    HB   THR  32           HB       THR  32   3.208  -9.124  -4.516
  207    HG1  THR  32           HG1      THR  32   3.983 -11.422  -4.106
  208   HG21  THR  32          3HG2      THR  32   4.965 -10.881  -5.807
  209   HG22  THR  32          1HG2      THR  32   5.761  -9.307  -5.844
  210   HG23  THR  32          2HG2      THR  32   4.139  -9.491  -6.509
  211    H    GLN  33           HN       GLN  33   5.646  -6.399  -5.130
  212    HA   GLN  33           HA       GLN  33   4.418  -4.257  -3.975
  213    HB2  GLN  33           HB2      GLN  33   5.939  -4.182  -5.947
  214    HB3  GLN  33           HB1      GLN  33   4.599  -4.708  -6.955
  215    HG2  GLN  33           HG2      GLN  33   3.378  -2.700  -6.485
  216    HG3  GLN  33           HG1      GLN  33   4.588  -2.192  -5.309
  217   HE21  GLN  33          1HE2      GLN  33   6.909  -2.740  -6.650
  218   HE22  GLN  33          2HE2      GLN  33   7.030  -1.724  -8.042
  219    H    ALA  34           HN       ALA  34   2.399  -4.052  -3.301
  220    HA   ALA  34           HA       ALA  34   0.210  -4.283  -5.154
  221    HB1  ALA  34           HB1      ALA  34  -0.012  -5.959  -2.680
  222    HB2  ALA  34           HB2      ALA  34   0.624  -6.619  -4.188
  223    HB3  ALA  34           HB3      ALA  34  -1.020  -5.983  -4.128
  224    H    VAL  35           HN       VAL  35   0.710  -4.305  -1.655
  225    HA   VAL  35           HA       VAL  35  -1.017  -1.928  -1.449
  226    HB   VAL  35           HB       VAL  35  -0.464  -3.421   1.030
  227   HG11  VAL  35          1HG1      VAL  35  -3.228  -3.096   0.395
  228   HG12  VAL  35          2HG1      VAL  35  -2.368  -1.605   0.010
  229   HG13  VAL  35          3HG1      VAL  35  -2.272  -2.285   1.634
  230   HG21  VAL  35          3HG2      VAL  35  -2.482  -4.684  -0.763
  231   HG22  VAL  35          1HG2      VAL  35  -1.593  -5.370   0.598
  232   HG23  VAL  35          2HG2      VAL  35  -0.784  -5.122  -0.949
  233    H    CYS  36           HN       CYS  36  -0.463  -0.863   0.894
  234    HA   CYS  36           HA       CYS  36   2.413  -0.671   1.280
  235    HB2  CYS  36           HB2      CYS  36   0.984   1.933   0.932
  236    HB3  CYS  36           HB1      CYS  36   2.687   1.557   0.731
  237    H    CYS  37           HN       CYS  37  -0.294   1.466   2.162
  238    HA   CYS  37           HA       CYS  37  -0.942   2.285   4.191
  239    HB2  CYS  37           HB2      CYS  37  -0.715  -0.266   5.592
  240    HB3  CYS  37           HB1      CYS  37  -2.144   0.700   5.233
  241    H    GLU  38           HN       GLU  38  -0.303   1.074   6.796
  242    HA   GLU  38           HA       GLU  38   2.152   2.500   7.274
  243    HB2  GLU  38           HB2      GLU  38  -0.007   1.323   8.904
  244    HB3  GLU  38           HB1      GLU  38   1.585   1.311   9.650
  245    HG2  GLU  38           HG2      GLU  38   0.205   3.748   8.548
  246    HG3  GLU  38           HG1      GLU  38   0.267   3.290  10.249
  247    H    ASP  39           HN       ASP  39   3.362   1.092   9.283
  248    HA   ASP  39           HA       ASP  39   4.133  -1.468   8.062
  249    HB2  ASP  39           HB2      ASP  39   5.751   0.901   8.289
  250    HB3  ASP  39           HB1      ASP  39   6.445  -0.384   9.273
  251    H    HIS  40           HN       HIS  40   3.530  -2.947   9.505
  252    HA   HIS  40           HA       HIS  40   4.429  -2.621  12.276
  253    HD1  HIS  40           HD1      HIS  40   0.749  -0.851  11.367
  254    HD2  HIS  40           HD2      HIS  40   1.086  -4.790  10.089
  255    HE1  HIS  40           HE1      HIS  40  -0.916  -1.096   9.499
  256    HE2  HIS  40           HE2      HIS  40  -0.646  -3.468   8.695
  257    HB2  HIS  40           HB2      HIS  40   2.107  -3.924  12.715
  258    HB3  HIS  40           HB1      HIS  40   2.271  -2.174  12.814
  259    H    ILE  41           HN       ILE  41   3.373  -4.732   9.678
  260    HA   ILE  41           HA       ILE  41   5.229  -6.748  10.454
  261    HB   ILE  41           HB       ILE  41   2.821  -6.939  11.778
  262   HG12  ILE  41          2HG1      ILE  41   4.899  -8.022  12.431
  263   HG13  ILE  41          1HG1      ILE  41   3.591  -9.198  12.400
  264   HG21  ILE  41          1HG2      ILE  41   1.750  -7.564   9.602
  265   HG22  ILE  41          2HG2      ILE  41   1.558  -8.750  10.894
  266   HG23  ILE  41          3HG2      ILE  41   2.737  -9.026   9.611
  267   HD11  ILE  41          3HD1      ILE  41   4.873  -9.156   9.851
  268   HD12  ILE  41          1HD1      ILE  41   4.742 -10.476  11.014
  269   HD13  ILE  41          2HD1      ILE  41   6.085  -9.338  11.119
  270    H    HIS  42           HN       HIS  42   2.578  -5.674   8.443
  271    HA   HIS  42           HA       HIS  42   3.845  -6.618   6.082
  272    HD1  HIS  42           HD1      HIS  42   4.660  -9.519   6.568
  273    HD2  HIS  42           HD2      HIS  42   1.835  -8.873   3.589
  274    HE1  HIS  42           HE1      HIS  42   5.464 -10.835   4.581
  275    HE2  HIS  42           HE2      HIS  42   3.749 -10.415   2.785
  276    HB2  HIS  42           HB2      HIS  42   2.301  -8.545   7.375
  277    HB3  HIS  42           HB1      HIS  42   1.256  -7.937   6.096
  278    H    CYS  43           HN       CYS  43   2.376  -6.333   4.134
  279    HA   CYS  43           HA       CYS  43   0.891  -3.837   4.478
  280    HB2  CYS  43           HB2      CYS  43   2.084  -5.240   2.092
  281    HB3  CYS  43           HB1      CYS  43   0.961  -3.898   1.907
  282    H    CYS  44           HN       CYS  44  -0.825  -5.140   5.553
  283    HA   CYS  44           HA       CYS  44  -2.952  -5.925   5.572
  284    HB2  CYS  44           HB2      CYS  44  -2.864  -5.423   2.591
  285    HB3  CYS  44           HB1      CYS  44  -4.313  -5.794   3.517
  286    HA   PRO  45           HA       PRO  45  -2.493 -10.268   4.962
  287    HB2  PRO  45           HB2      PRO  45  -5.446 -10.409   4.888
  288    HB3  PRO  45           HB1      PRO  45  -4.310 -11.169   6.006
  289    HG2  PRO  45           HG2      PRO  45  -5.835  -9.112   6.772
  290    HG3  PRO  45           HG1      PRO  45  -4.168  -9.292   7.351
  291    HD2  PRO  45           HD2      PRO  45  -5.250  -7.488   5.221
  292    HD3  PRO  45           HD1      PRO  45  -4.031  -7.154   6.467
  293    H    ALA  46           HN       ALA  46  -4.845 -11.663   3.711
  294    HA   ALA  46           HA       ALA  46  -3.874 -12.054   1.166
  295    HB1  ALA  46           HB1      ALA  46  -6.522 -12.646   0.854
  296    HB2  ALA  46           HB2      ALA  46  -6.322 -12.738   2.605
  297    HB3  ALA  46           HB3      ALA  46  -5.311 -13.723   1.547
  298    H    GLY  47           HN       GLY  47  -7.140 -10.715   1.421
  299    HA2  GLY  47           HA2      GLY  47  -6.359  -8.703  -0.599
  300    HA3  GLY  47           HA1      GLY  47  -7.879  -9.581  -0.673
  301    H    PHE  48           HN       PHE  48  -6.286  -8.076   2.117
  302    HA   PHE  48           HA       PHE  48  -8.755  -6.636   2.689
  303    HD1  PHE  48           HD1      PHE  48  -7.356  -9.398   3.096
  304    HD2  PHE  48           HD2      PHE  48  -8.563  -7.306   6.600
  305    HE1  PHE  48           HE1      PHE  48  -8.314 -11.474   4.002
  306    HE2  PHE  48           HE2      PHE  48  -9.527  -9.378   7.509
  307    HZ   PHE  48           HZ       PHE  48  -9.402 -11.466   6.210
  308    HB2  PHE  48           HB2      PHE  48  -6.230  -7.008   4.315
  309    HB3  PHE  48           HB1      PHE  48  -7.643  -6.117   4.860
  310    H    THR  49           HN       THR  49  -8.948  -4.441   2.624
  311    HA   THR  49           HA       THR  49  -6.680  -2.979   1.468
  312    HB   THR  49           HB       THR  49  -9.429  -1.809   1.639
  313    HG1  THR  49           HG1      THR  49  -8.687  -4.059   0.202
  314   HG21  THR  49          3HG2      THR  49  -8.522  -1.160  -0.776
  315   HG22  THR  49          1HG2      THR  49  -6.971  -1.470   0.004
  316   HG23  THR  49          2HG2      THR  49  -8.064  -0.255   0.666
  317    H    CYS  50           HN       CYS  50  -5.688  -1.378   2.524
  318    HA   CYS  50           HA       CYS  50  -6.435  -0.850   5.275
  319    HB2  CYS  50           HB2      CYS  50  -4.318   0.702   5.005
  320    HB3  CYS  50           HB1      CYS  50  -4.152  -1.041   5.177
  321    H    ASP  51           HN       ASP  51  -7.519   0.829   5.983
  322    HA   ASP  51           HA       ASP  51  -8.383   2.858   4.110
  323    HB2  ASP  51           HB2      ASP  51 -10.208   2.849   5.401
  324    HB3  ASP  51           HB1      ASP  51  -9.442   1.667   6.455
  325    H    THR  52           HN       THR  52  -7.696   4.904   4.028
  326    HA   THR  52           HA       THR  52  -5.210   5.679   4.838
  327    HB   THR  52           HB       THR  52  -6.471   6.873   3.129
  328    HG1  THR  52           HG1      THR  52  -4.727   7.936   4.284
  329   HG21  THR  52          3HG2      THR  52  -8.552   7.577   3.501
  330   HG22  THR  52          1HG2      THR  52  -7.947   8.723   4.699
  331   HG23  THR  52          2HG2      THR  52  -8.423   7.098   5.194
  332    H    GLN  53           HN       GLN  53  -8.100   5.759   6.795
  333    HA   GLN  53           HA       GLN  53  -7.467   7.734   8.623
  334    HB2  GLN  53           HB2      GLN  53  -9.564   6.226   8.481
  335    HB3  GLN  53           HB1      GLN  53  -8.667   5.136   9.531
  336    HG2  GLN  53           HG2      GLN  53  -8.720   6.586  11.313
  337    HG3  GLN  53           HG1      GLN  53  -8.944   8.004  10.289
  338   HE21  GLN  53          1HE2      GLN  53 -10.791   8.875  10.936
  339   HE22  GLN  53          2HE2      GLN  53 -12.299   8.045  11.077
  340    H    LYS  54           HN       LYS  54  -6.221   4.436   8.411
  341    HA   LYS  54           HA       LYS  54  -3.875   5.096   9.850
  342    HB2  LYS  54           HB2      LYS  54  -5.880   4.802  11.600
  343    HB3  LYS  54           HB1      LYS  54  -5.430   3.111  11.421
  344    HG2  LYS  54           HG2      LYS  54  -3.131   4.844  11.814
  345    HG3  LYS  54           HG1      LYS  54  -4.288   4.926  13.143
  346    HD2  LYS  54           HD2      LYS  54  -4.069   2.663  13.638
  347    HD3  LYS  54           HD1      LYS  54  -3.426   2.279  12.040
  348    HE2  LYS  54           HE2      LYS  54  -1.637   2.145  13.630
  349    HE3  LYS  54           HE1      LYS  54  -1.381   3.567  12.620
  350    HZ1  LYS  54           HZ1      LYS  54  -2.694   3.700  15.272
  351    HZ2  LYS  54           HZ2      LYS  54  -2.093   4.982  14.346
  352    HZ3  LYS  54           HZ3      LYS  54  -1.025   3.885  15.066
  353    H    GLY  55           HN       GLY  55  -4.613   3.803   7.410
  354    HA2  GLY  55           HA2      GLY  55  -4.110   1.941   6.159
  355    HA3  GLY  55           HA1      GLY  55  -2.819   1.687   7.329
  356    H    THR  56           HN       THR  56  -6.348   1.600   7.680
  357    HA   THR  56           HA       THR  56  -6.149  -0.871   9.176
  358    HB   THR  56           HB       THR  56  -8.703   0.501   8.348
  359    HG1  THR  56           HG1      THR  56  -6.920   1.758   9.593
  360   HG21  THR  56          3HG2      THR  56  -8.674  -1.827   9.397
  361   HG22  THR  56          1HG2      THR  56  -9.685  -0.611  10.178
  362   HG23  THR  56          2HG2      THR  56  -8.118  -1.031  10.868
  363    H    CYS  57           HN       CYS  57  -5.760  -2.637   7.979
  364    HA   CYS  57           HA       CYS  57  -6.988  -3.008   5.388
  365    HB2  CYS  57           HB2      CYS  57  -5.369  -5.033   6.931
  366    HB3  CYS  57           HB1      CYS  57  -5.647  -4.974   5.195
  367    H    GLU  58           HN       GLU  58  -8.917  -3.875   5.094
  368    HA   GLU  58           HA       GLU  58  -9.842  -5.967   6.920
  369    HB2  GLU  58           HB2      GLU  58 -11.512  -3.582   6.101
  370    HB3  GLU  58           HB1      GLU  58 -12.087  -4.961   7.026
  371    HG2  GLU  58           HG2      GLU  58  -9.838  -3.214   7.971
  372    HG3  GLU  58           HG1      GLU  58 -11.529  -2.860   8.319
  373    H    GLN  59           HN       GLN  59 -11.750  -7.143   6.035
  374    HA   GLN  59           HA       GLN  59 -11.263  -8.260   3.593
  375    HB2  GLN  59           HB2      GLN  59 -14.059  -7.922   4.678
  376    HB3  GLN  59           HB1      GLN  59 -13.443  -9.232   3.683
  377    HG2  GLN  59           HG2      GLN  59 -11.841  -9.154   5.994
  378    HG3  GLN  59           HG1      GLN  59 -13.515  -9.003   6.525
  379   HE21  GLN  59          1HE2      GLN  59 -11.839 -11.207   7.056
  380   HE22  GLN  59          2HE2      GLN  59 -12.511 -12.591   6.271
  381    H    LYS  60           HN       LYS  60 -11.264  -7.513   1.603
  382    HA   LYS  60           HA       LYS  60 -11.720  -6.309  -0.263
  383    HB2  LYS  60           HB2      LYS  60 -14.338  -6.459   1.117
  384    HB3  LYS  60           HB1      LYS  60 -14.190  -5.236  -0.137
  385    HG2  LYS  60           HG2      LYS  60 -14.794  -6.873  -1.526
  386    HG3  LYS  60           HG1      LYS  60 -13.122  -7.416  -1.368
  387    HD2  LYS  60           HD2      LYS  60 -13.827  -8.851   0.536
  388    HD3  LYS  60           HD1      LYS  60 -15.498  -8.377   0.223
  389    HE2  LYS  60           HE2      LYS  60 -14.647  -9.183  -2.250
  390    HE3  LYS  60           HE1      LYS  60 -13.786 -10.290  -1.182
  391    HZ1  LYS  60           HZ1      LYS  60 -15.833 -10.999  -0.227
  392    HZ2  LYS  60           HZ2      LYS  60 -16.004 -11.087  -1.907
  393    HZ3  LYS  60           HZ3      LYS  60 -16.712  -9.810  -1.052
  394    H    LEU  61           HN       LEU  61 -12.825  -3.978  -0.882
  395    HA   LEU  61           HA       LEU  61 -11.189  -2.096   0.559
  396    HG   LEU  61           HG       LEU  61 -14.195  -2.082  -1.456
  397    HB2  LEU  61           HB2      LEU  61 -11.800  -0.513  -1.137
  398    HB3  LEU  61           HB1      LEU  61 -11.416  -2.043  -1.902
  399   HD11  LEU  61          1HD1      LEU  61 -14.376   0.237  -1.156
  400   HD12  LEU  61          2HD1      LEU  61 -14.787  -0.037  -2.849
  401   HD13  LEU  61          3HD1      LEU  61 -13.192   0.579  -2.418
  402   HD21  LEU  61          3HD2      LEU  61 -14.166  -2.790  -3.575
  403   HD22  LEU  61          1HD2      LEU  61 -12.409  -2.679  -3.449
  404   HD23  LEU  61          2HD2      LEU  61 -13.330  -1.343  -4.141
  405    H    ALA  62           HN       ALA  62 -11.939  -0.142   1.521
  406    HA   ALA  62           HA       ALA  62 -14.736  -0.253   2.445
  407    HB1  ALA  62           HB1      ALA  62 -12.348   0.608   4.074
  408    HB2  ALA  62           HB2      ALA  62 -13.190  -0.934   4.226
  409    HB3  ALA  62           HB3      ALA  62 -14.025   0.568   4.617
  410    H    ALA  63           HN       ALA  63 -12.860   1.348   0.446
  411    HA   ALA  63           HA       ALA  63 -12.797   3.438  -0.445
  412    HB1  ALA  63           HB1      ALA  63 -15.265   4.285   0.957
  413    HB2  ALA  63           HB2      ALA  63 -15.379   2.885  -0.110
  414    HB3  ALA  63           HB3      ALA  63 -14.817   4.433  -0.743
  415    H    ALA  64           HN       ALA  64 -11.550   2.984   2.160
  416    HA   ALA  64           HA       ALA  64 -10.442   4.149   3.766
  417    HB1  ALA  64           HB1      ALA  64  -9.693   6.290   3.259
  418    HB2  ALA  64           HB2      ALA  64 -11.173   6.711   2.397
  419    HB3  ALA  64           HB3      ALA  64 -10.020   5.591   1.673
  420    H    LEU  65           HN       LEU  65 -11.489   3.960   5.647
  421    HA   LEU  65           HA       LEU  65 -14.053   4.997   6.200
  422    HG   LEU  65           HG       LEU  65 -13.270   2.446   6.484
  423    HB2  LEU  65           HB2      LEU  65 -11.832   4.072   8.017
  424    HB3  LEU  65           HB1      LEU  65 -13.419   4.536   8.599
  425   HD11  LEU  65          1HD1      LEU  65 -13.222   0.939   8.738
  426   HD12  LEU  65          2HD1      LEU  65 -12.080   2.217   9.154
  427   HD13  LEU  65          3HD1      LEU  65 -11.825   1.243   7.707
  428   HD21  LEU  65          3HD2      LEU  65 -15.044   1.647   8.378
  429   HD22  LEU  65          1HD2      LEU  65 -15.451   2.640   6.978
  430   HD23  LEU  65          2HD2      LEU  65 -15.134   3.401   8.537
  431    H    GLU  66           HN       GLU  66 -14.723   6.806   7.314
  432    HA   GLU  66           HA       GLU  66 -12.681   8.786   8.039
  433    HB2  GLU  66           HB2      GLU  66 -15.069   9.225   6.253
  434    HB3  GLU  66           HB1      GLU  66 -14.241  10.548   7.062
  435    HG2  GLU  66           HG2      GLU  66 -12.495  10.489   5.658
  436    HG3  GLU  66           HG1      GLU  66 -12.497   8.729   5.559
  437    H    HIS  67           HN       HIS  67 -13.232  10.184   9.704
  438    HA   HIS  67           HA       HIS  67 -14.219  10.846  11.638
  439    HD1  HIS  67           HD1      HIS  67 -14.829  13.006  11.665
  440    HD2  HIS  67           HD2      HIS  67 -17.328  12.170   8.451
  441    HE1  HIS  67           HE1      HIS  67 -15.022  15.162  10.383
  442    HE2  HIS  67           HE2      HIS  67 -16.504  14.622   8.419
  443    HB2  HIS  67           HB2      HIS  67 -16.661  10.090  10.044
  444    HB3  HIS  67           HB1      HIS  67 -16.779  10.724  11.682
  445    H    HIS  68           HN       HIS  68 -13.518   9.548  13.224
  446    HA   HIS  68           HA       HIS  68 -14.406   6.818  13.470
  447    HD1  HIS  68           HD1      HIS  68 -11.674   6.972  17.228
  448    HD2  HIS  68           HD2      HIS  68 -13.800   4.771  14.418
  449    HE1  HIS  68           HE1      HIS  68 -11.730   4.621  18.119
  450    HE2  HIS  68           HE2      HIS  68 -13.106   3.329  16.450
  451    HB2  HIS  68           HB2      HIS  68 -12.094   7.649  14.085
  452    HB3  HIS  68           HB1      HIS  68 -12.827   8.419  15.489
  453    H    HIS  69           HN       HIS  69 -15.758   5.959  15.017
  454    HA   HIS  69           HA       HIS  69 -17.721   7.774  16.100
  455    HD1  HIS  69           HD1      HIS  69 -19.228   4.792  18.522
  456    HD2  HIS  69           HD2      HIS  69 -20.594   7.016  15.288
  457    HE1  HIS  69           HE1      HIS  69 -21.619   5.356  19.057
  458    HE2  HIS  69           HE2      HIS  69 -22.387   6.799  17.139
  459    HB2  HIS  69           HB2      HIS  69 -18.179   5.470  15.063
  460    HB3  HIS  69           HB1      HIS  69 -17.610   4.803  16.590
  461    H    HIS  70           HN       HIS  70 -18.131   8.216  18.222
  462    HA   HIS  70           HA       HIS  70 -16.037   7.416  20.127
  463    HD1  HIS  70           HD1      HIS  70 -18.064  11.341  18.740
  464    HD2  HIS  70           HD2      HIS  70 -14.260   9.703  19.077
  465    HE1  HIS  70           HE1      HIS  70 -16.661  12.541  17.032
  466    HE2  HIS  70           HE2      HIS  70 -14.352  11.567  17.286
  467    HB2  HIS  70           HB2      HIS  70 -17.929   9.705  20.583
  468    HB3  HIS  70           HB1      HIS  70 -16.314   9.457  21.239
  469    H    HIS  71           HN       HIS  71 -17.774   8.484  22.329
  470    HA   HIS  71           HA       HIS  71 -19.750   6.308  22.456
  471    HD1  HIS  71           HD1      HIS  71 -20.787   4.892  24.531
  472    HD2  HIS  71           HD2      HIS  71 -16.757   3.980  24.088
  473    HE1  HIS  71           HE1      HIS  71 -20.648   2.384  24.652
  474    HE2  HIS  71           HE2      HIS  71 -18.214   1.852  24.281
  475    HB2  HIS  71           HB2      HIS  71 -17.406   6.591  24.046
  476    HB3  HIS  71           HB1      HIS  71 -18.797   6.887  25.084
  477    H    HIS  72           HN       HIS  72 -21.731   6.917  23.051
  478    HA   HIS  72           HA       HIS  72 -22.107   9.683  23.945
  479    HD1  HIS  72           HD1      HIS  72 -23.052   8.555  20.158
  480    HD2  HIS  72           HD2      HIS  72 -23.958  11.678  22.747
  481    HE1  HIS  72           HE1      HIS  72 -22.944  10.642  18.758
  482    HE2  HIS  72           HE2      HIS  72 -23.501  12.520  20.344
  483    HB2  HIS  72           HB2      HIS  72 -23.751   7.743  22.403
  484    HB3  HIS  72           HB1      HIS  72 -24.612   8.894  23.421
  Start of MODEL    4
    1    HA   ALA   1           HA       ALA   1  21.678  -7.169 -10.818
    2    H1   ALA   1           HT1      ALA   1  20.370  -8.346  -8.514
    3    H2   ALA   1           HT2      ALA   1  20.906  -6.753  -8.329
    4    H3   ALA   1           HT3      ALA   1  21.999  -7.966  -8.767
    5    HB1  ALA   1           HB1      ALA   1  19.698  -9.228 -10.194
    6    HB2  ALA   1           HB2      ALA   1  20.858  -9.128 -11.519
    7    HB3  ALA   1           HB3      ALA   1  19.318  -8.276 -11.630
    8    H    MET   2           HN       MET   2  18.358  -7.075  -9.503
    9    HA   MET   2           HA       MET   2  18.181  -4.273 -10.381
   10    HB2  MET   2           HB2      MET   2  16.192  -6.488 -10.865
   11    HB3  MET   2           HB1      MET   2  15.744  -4.789 -10.943
   12    HG2  MET   2           HG2      MET   2  16.681  -4.509 -12.948
   13    HG3  MET   2           HG1      MET   2  18.108  -5.451 -12.519
   14    HE1  MET   2           HE1      MET   2  15.933  -5.969 -15.668
   15    HE2  MET   2           HE2      MET   2  15.301  -4.913 -14.405
   16    HE3  MET   2           HE3      MET   2  14.463  -6.414 -14.799
   17    H    ASP   3           HN       ASP   3  17.553  -2.942  -8.816
   18    HA   ASP   3           HA       ASP   3  15.984  -4.035  -6.577
   19    HB2  ASP   3           HB2      ASP   3  17.726  -1.801  -5.851
   20    HB3  ASP   3           HB1      ASP   3  17.473  -3.341  -5.036
   21    H    VAL   4           HN       VAL   4  14.726  -2.429  -5.395
   22    HA   VAL   4           HA       VAL   4  13.742  -0.341  -7.204
   23    HB   VAL   4           HB       VAL   4  12.434  -1.347  -4.674
   24   HG11  VAL   4          1HG1      VAL   4  10.690  -0.302  -6.716
   25   HG12  VAL   4          2HG1      VAL   4  11.916   0.884  -6.269
   26   HG13  VAL   4          3HG1      VAL   4  10.868   0.190  -5.031
   27   HG21  VAL   4          3HG2      VAL   4  11.929  -3.216  -5.770
   28   HG22  VAL   4          1HG2      VAL   4  12.683  -2.613  -7.247
   29   HG23  VAL   4          2HG2      VAL   4  10.994  -2.239  -6.903
   30    H    LYS   5           HN       LYS   5  14.490   1.644  -6.888
   31    HA   LYS   5           HA       LYS   5  15.216   2.461  -4.154
   32    HB2  LYS   5           HB2      LYS   5  16.684   2.594  -6.552
   33    HB3  LYS   5           HB1      LYS   5  16.214   4.247  -6.181
   34    HG2  LYS   5           HG2      LYS   5  17.196   2.837  -3.844
   35    HG3  LYS   5           HG1      LYS   5  18.379   2.884  -5.153
   36    HD2  LYS   5           HD2      LYS   5  16.902   5.321  -4.176
   37    HD3  LYS   5           HD1      LYS   5  18.463   4.815  -3.528
   38    HE2  LYS   5           HE2      LYS   5  18.446   4.891  -6.430
   39    HE3  LYS   5           HE1      LYS   5  18.038   6.453  -5.720
   40    HZ1  LYS   5           HZ1      LYS   5  20.462   6.041  -6.116
   41    HZ2  LYS   5           HZ2      LYS   5  20.407   4.877  -4.890
   42    HZ3  LYS   5           HZ3      LYS   5  20.063   6.494  -4.536
   43    H    CYS   6           HN       CYS   6  14.278   4.203  -3.252
   44    HA   CYS   6           HA       CYS   6  12.670   5.993  -4.919
   45    HB2  CYS   6           HB2      CYS   6  11.625   4.610  -2.439
   46    HB3  CYS   6           HB1      CYS   6  10.778   5.861  -3.343
   47    H    ASP   7           HN       ASP   7  13.298   7.991  -4.499
   48    HA   ASP   7           HA       ASP   7  14.044   9.854  -3.439
   49    HB2  ASP   7           HB2      ASP   7  12.068   8.966  -1.861
   50    HB3  ASP   7           HB1      ASP   7  13.407   8.814  -0.728
   51    H    MET   8           HN       MET   8  15.627  10.651  -1.742
   52    HA   MET   8           HA       MET   8  17.883   8.806  -1.709
   53    HB2  MET   8           HB2      MET   8  17.553  11.756  -1.526
   54    HB3  MET   8           HB1      MET   8  18.954  11.048  -0.734
   55    HG2  MET   8           HG2      MET   8  19.991  10.631  -2.666
   56    HG3  MET   8           HG1      MET   8  18.513  10.085  -3.458
   57    HE1  MET   8           HE1      MET   8  17.554  10.916  -5.047
   58    HE2  MET   8           HE2      MET   8  18.481  12.022  -6.061
   59    HE3  MET   8           HE3      MET   8  17.021  12.585  -5.249
   60    H    GLU   9           HN       GLU   9  16.235   7.770   0.013
   61    HA   GLU   9           HA       GLU   9  17.590   7.900   2.492
   62    HB2  GLU   9           HB2      GLU   9  15.859   9.958   2.315
   63    HB3  GLU   9           HB1      GLU   9  14.777   8.719   2.939
   64    HG2  GLU   9           HG2      GLU   9  16.168   8.387   4.860
   65    HG3  GLU   9           HG1      GLU   9  17.401   9.464   4.206
   66    H    VAL  10           HN       VAL  10  15.451   6.548   0.317
   67    HA   VAL  10           HA       VAL  10  14.826   4.363   2.195
   68    HB   VAL  10           HB       VAL  10  13.026   4.703  -0.127
   69   HG11  VAL  10          1HG1      VAL  10  12.626   2.924   1.422
   70   HG12  VAL  10          2HG1      VAL  10  11.344   4.119   1.618
   71   HG13  VAL  10          3HG1      VAL  10  12.661   4.038   2.789
   72   HG21  VAL  10          3HG2      VAL  10  12.482   6.826   0.258
   73   HG22  VAL  10          1HG2      VAL  10  13.528   6.894   1.677
   74   HG23  VAL  10          2HG2      VAL  10  11.866   6.323   1.833
   75    H    SER  11           HN       SER  11  15.321   2.342   1.557
   76    HA   SER  11           HA       SER  11  16.025   1.876  -1.256
   77    HG   SER  11           HG       SER  11  17.749  -0.026  -1.296
   78    HB2  SER  11           HB2      SER  11  18.062   2.318   0.251
   79    HB3  SER  11           HB1      SER  11  17.706   0.751   0.977
   80    H    CYS  12           HN       CYS  12  14.325   0.583  -1.733
   81    HA   CYS  12           HA       CYS  12  13.852  -1.762  -0.020
   82    HB2  CYS  12           HB2      CYS  12  12.014  -0.943  -2.244
   83    HB3  CYS  12           HB1      CYS  12  11.643  -1.822  -0.767
   84    HA   PRO  13           HA       PRO  13  15.956  -3.610  -3.642
   85    HB2  PRO  13           HB2      PRO  13  17.321  -5.488  -2.318
   86    HB3  PRO  13           HB1      PRO  13  17.833  -3.794  -2.296
   87    HG2  PRO  13           HG2      PRO  13  16.276  -5.322  -0.238
   88    HG3  PRO  13           HG1      PRO  13  17.655  -4.232  -0.007
   89    HD2  PRO  13           HD2      PRO  13  15.064  -3.462   0.352
   90    HD3  PRO  13           HD1      PRO  13  16.349  -2.347  -0.154
   91    H    ASP  14           HN       ASP  14  16.444  -6.393  -3.436
   92    HA   ASP  14           HA       ASP  14  14.065  -7.464  -4.387
   93    HB2  ASP  14           HB2      ASP  14  16.677  -8.574  -3.519
   94    HB3  ASP  14           HB1      ASP  14  15.335  -9.707  -3.642
   95    H    GLY  15           HN       GLY  15  12.334  -8.416  -3.510
   96    HA2  GLY  15           HA2      GLY  15  11.045  -9.530  -1.916
   97    HA3  GLY  15           HA1      GLY  15  12.398  -9.440  -0.797
   98    H    TYR  16           HN       TYR  16  12.358  -6.425  -1.730
   99    HA   TYR  16           HA       TYR  16  10.467  -5.623   0.371
  100    HD1  TYR  16           HD1      TYR  16  14.131  -6.250  -0.201
  101    HD2  TYR  16           HD2      TYR  16  12.114  -3.829   2.652
  102    HE1  TYR  16           HE1      TYR  16  15.528  -7.202   1.577
  103    HE2  TYR  16           HE2      TYR  16  13.503  -4.768   4.443
  104    HH   TYR  16           HH       TYR  16  16.303  -6.573   3.846
  105    HB2  TYR  16           HB2      TYR  16  12.822  -4.156  -0.827
  106    HB3  TYR  16           HB1      TYR  16  11.731  -3.478   0.377
  107    H    THR  17           HN       THR  17   9.142  -3.795   0.072
  108    HA   THR  17           HA       THR  17   8.633  -3.106  -2.747
  109    HB   THR  17           HB       THR  17   6.834  -4.552  -1.728
  110    HG1  THR  17           HG1      THR  17   6.329  -3.193  -3.469
  111   HG21  THR  17          3HG2      THR  17   6.606  -2.160   0.071
  112   HG22  THR  17          1HG2      THR  17   6.646  -3.870   0.499
  113   HG23  THR  17          2HG2      THR  17   5.212  -3.186  -0.267
  114    H    CYS  18           HN       CYS  18   8.315  -0.968  -3.212
  115    HA   CYS  18           HA       CYS  18   8.877   0.896  -1.014
  116    HB2  CYS  18           HB2      CYS  18  10.484   1.398  -2.564
  117    HB3  CYS  18           HB1      CYS  18   9.501   0.854  -3.918
  118    H    CYS  19           HN       CYS  19   7.114   1.762  -0.161
  119    HA   CYS  19           HA       CYS  19   5.181   3.024  -1.931
  120    HB2  CYS  19           HB2      CYS  19   4.568   0.537  -1.122
  121    HB3  CYS  19           HB1      CYS  19   3.958   1.445   0.259
  122    H    ARG  20           HN       ARG  20   4.169   4.779  -1.063
  123    HA   ARG  20           HA       ARG  20   5.397   6.161   1.019
  124    HE   ARG  20           HE       ARG  20   3.675  10.650   0.551
  125    HB2  ARG  20           HB2      ARG  20   2.812   6.460  -0.450
  126    HB3  ARG  20           HB1      ARG  20   3.103   7.457   0.966
  127    HG2  ARG  20           HG2      ARG  20   5.199   7.342  -1.134
  128    HG3  ARG  20           HG1      ARG  20   3.737   8.278  -1.445
  129    HD2  ARG  20           HD2      ARG  20   4.800   8.781   1.202
  130    HD3  ARG  20           HD1      ARG  20   5.990   9.115  -0.056
  131   HH11  ARG  20          1HH1      ARG  20   5.715   9.625  -2.082
  132   HH12  ARG  20          2HH1      ARG  20   5.339  10.992  -3.075
  133   HH21  ARG  20          1HH2      ARG  20   3.172  12.452  -0.751
  134   HH22  ARG  20          2HH2      ARG  20   3.895  12.601  -2.319
  135    H    LEU  21           HN       LEU  21   4.654   6.723   3.122
  136    HA   LEU  21           HA       LEU  21   3.009   4.619   4.360
  137    HG   LEU  21           HG       LEU  21   5.555   3.844   4.509
  138    HB2  LEU  21           HB2      LEU  21   5.306   6.269   5.343
  139    HB3  LEU  21           HB1      LEU  21   4.156   5.615   6.494
  140   HD11  LEU  21          1HD1      LEU  21   7.183   3.341   6.298
  141   HD12  LEU  21          2HD1      LEU  21   6.526   4.681   7.237
  142   HD13  LEU  21          3HD1      LEU  21   7.315   4.992   5.690
  143   HD21  LEU  21          3HD2      LEU  21   3.750   3.514   6.792
  144   HD22  LEU  21          1HD2      LEU  21   5.156   2.448   6.815
  145   HD23  LEU  21          2HD2      LEU  21   4.067   2.441   5.428
  146    H    GLN  22           HN       GLN  22   3.897   7.858   5.478
  147    HA   GLN  22           HA       GLN  22   1.045   8.410   5.925
  148    HB2  GLN  22           HB2      GLN  22   3.548   9.330   7.310
  149    HB3  GLN  22           HB1      GLN  22   2.057  10.254   7.448
  150    HG2  GLN  22           HG2      GLN  22   0.992   8.039   8.186
  151    HG3  GLN  22           HG1      GLN  22   2.651   7.487   8.422
  152   HE21  GLN  22          1HE2      GLN  22   1.407  10.734   8.946
  153   HE22  GLN  22          2HE2      GLN  22   1.683  10.765  10.650
  154    H    SER  23           HN       SER  23   2.459   8.723   3.388
  155    HA   SER  23           HA       SER  23   2.541  10.178   1.645
  156    HG   SER  23           HG       SER  23   1.247  11.658   0.582
  157    HB2  SER  23           HB2      SER  23   0.247  10.774   2.571
  158    HB3  SER  23           HB1      SER  23   1.032  12.142   3.361
  159    H    GLY  24           HN       GLY  24   4.265  10.440   4.266
  160    HA2  GLY  24           HA2      GLY  24   5.496  13.019   3.518
  161    HA3  GLY  24           HA1      GLY  24   5.514  12.360   5.146
  162    H    ALA  25           HN       ALA  25   5.921   9.676   3.543
  163    HA   ALA  25           HA       ALA  25   8.568   9.878   2.505
  164    HB1  ALA  25           HB1      ALA  25   8.258   9.450   5.364
  165    HB2  ALA  25           HB2      ALA  25   9.697   9.857   4.428
  166    HB3  ALA  25           HB3      ALA  25   9.190   8.174   4.580
  167    H    TRP  26           HN       TRP  26   9.482   7.763   1.943
  168    HA   TRP  26           HA       TRP  26   7.357   5.923   1.194
  169    HD1  TRP  26           HD1      TRP  26  10.415   8.368  -0.593
  170    HE1  TRP  26           HE1      TRP  26   9.229   9.508  -2.574
  171    HE3  TRP  26           HE3      TRP  26   6.771   4.893  -1.460
  172    HZ2  TRP  26           HZ2      TRP  26   7.034   8.998  -4.277
  173    HZ3  TRP  26           HZ3      TRP  26   5.168   5.294  -3.281
  174    HH2  TRP  26           HH2      TRP  26   5.295   7.304  -4.657
  175    HB2  TRP  26           HB2      TRP  26  10.291   5.964   0.450
  176    HB3  TRP  26           HB1      TRP  26   9.095   4.851  -0.204
  177    H    GLY  27           HN       GLY  27   7.762   3.562   1.380
  178    HA2  GLY  27           HA2      GLY  27   9.365   2.868   3.748
  179    HA3  GLY  27           HA1      GLY  27   7.671   2.411   3.686
  180    H    CYS  28           HN       CYS  28  10.198   0.825   3.814
  181    HA   CYS  28           HA       CYS  28   9.907  -0.749   1.345
  182    HB2  CYS  28           HB2      CYS  28  12.178  -0.714   3.340
  183    HB3  CYS  28           HB1      CYS  28  12.113  -1.701   1.884
  184    H    CYS  29           HN       CYS  29   8.482  -2.347   1.624
  185    HA   CYS  29           HA       CYS  29   8.471  -3.771   4.201
  186    HB2  CYS  29           HB2      CYS  29   6.354  -2.747   2.879
  187    HB3  CYS  29           HB1      CYS  29   6.381  -4.365   2.185
  188    HA   PRO  30           HA       PRO  30  10.602  -7.006   1.925
  189    HB2  PRO  30           HB2      PRO  30  11.236  -8.539   4.010
  190    HB3  PRO  30           HB1      PRO  30  11.998  -6.957   3.787
  191    HG2  PRO  30           HG2      PRO  30   9.648  -7.685   5.511
  192    HG3  PRO  30           HG1      PRO  30  11.111  -6.786   5.967
  193    HD2  PRO  30           HD2      PRO  30   8.802  -5.544   5.315
  194    HD3  PRO  30           HD1      PRO  30  10.388  -4.849   4.919
  195    H    PHE  31           HN       PHE  31   8.226  -7.387   1.142
  196    HA   PHE  31           HA       PHE  31   7.683 -10.169   1.542
  197    HD1  PHE  31           HD2      PHE  31   6.457  -6.597   1.597
  198    HD2  PHE  31           HD1      PHE  31   3.399  -9.298   2.818
  199    HE1  PHE  31           HE2      PHE  31   4.757  -4.869   1.173
  200    HE2  PHE  31           HE1      PHE  31   1.699  -7.573   2.392
  201    HZ   PHE  31           HZ       PHE  31   2.377  -5.354   1.569
  202    HB2  PHE  31           HB2      PHE  31   5.565 -10.081   2.545
  203    HB3  PHE  31           HB1      PHE  31   6.517  -8.928   3.471
  204    H    THR  32           HN       THR  32   5.428 -10.655   0.356
  205    HA   THR  32           HA       THR  32   5.802  -9.643  -2.327
  206    HB   THR  32           HB       THR  32   5.310 -12.070  -1.790
  207    HG1  THR  32           HG1      THR  32   3.289 -11.276  -3.525
  208   HG21  THR  32          3HG2      THR  32   2.469 -11.877  -1.871
  209   HG22  THR  32          1HG2      THR  32   3.055 -10.909  -0.518
  210   HG23  THR  32          2HG2      THR  32   3.487 -12.614  -0.635
  211    H    GLN  33           HN       GLN  33   3.417  -9.500  -3.489
  212    HA   GLN  33           HA       GLN  33   1.685  -8.083  -3.903
  213    HB2  GLN  33           HB2      GLN  33   1.265  -9.222  -1.330
  214    HB3  GLN  33           HB1      GLN  33   0.745  -7.544  -1.259
  215    HG2  GLN  33           HG2      GLN  33  -1.187  -8.508  -1.948
  216    HG3  GLN  33           HG1      GLN  33  -0.453  -8.186  -3.519
  217   HE21  GLN  33          1HE2      GLN  33  -0.794  -9.803  -4.850
  218   HE22  GLN  33          2HE2      GLN  33  -0.735 -11.484  -4.455
  219    H    ALA  34           HN       ALA  34   0.594  -5.990  -2.326
  220    HA   ALA  34           HA       ALA  34   2.811  -4.204  -1.715
  221    HB1  ALA  34           HB1      ALA  34   1.159  -4.009  -4.145
  222    HB2  ALA  34           HB2      ALA  34   2.791  -3.421  -3.826
  223    HB3  ALA  34           HB3      ALA  34   1.396  -2.504  -3.257
  224    H    VAL  35           HN       VAL  35   2.305  -3.352   0.185
  225    HA   VAL  35           HA       VAL  35  -0.468  -2.469   0.641
  226    HB   VAL  35           HB       VAL  35   1.322  -3.682   2.752
  227   HG11  VAL  35          1HG1      VAL  35  -0.208  -3.109   4.290
  228   HG12  VAL  35          2HG1      VAL  35  -1.563  -3.456   3.216
  229   HG13  VAL  35          3HG1      VAL  35  -0.717  -1.913   3.097
  230   HG21  VAL  35          3HG2      VAL  35  -1.060  -5.176   2.324
  231   HG22  VAL  35          1HG2      VAL  35   0.615  -5.691   2.125
  232   HG23  VAL  35          2HG2      VAL  35  -0.251  -4.963   0.772
  233    H    CYS  36           HN       CYS  36  -0.725  -0.493   1.564
  234    HA   CYS  36           HA       CYS  36   1.218   0.894   3.061
  235    HB2  CYS  36           HB2      CYS  36   1.387   2.714   1.087
  236    HB3  CYS  36           HB1      CYS  36   2.576   1.435   1.312
  237    H    CYS  37           HN       CYS  37  -1.531   0.368   3.250
  238    HA   CYS  37           HA       CYS  37  -3.164   2.505   2.412
  239    HB2  CYS  37           HB2      CYS  37  -4.417   1.590   4.662
  240    HB3  CYS  37           HB1      CYS  37  -4.576   0.873   3.062
  241    H    GLU  38           HN       GLU  38  -4.352   3.938   4.010
  242    HA   GLU  38           HA       GLU  38  -2.476   5.656   5.263
  243    HB2  GLU  38           HB2      GLU  38  -5.290   5.681   4.617
  244    HB3  GLU  38           HB1      GLU  38  -5.032   6.289   6.246
  245    HG2  GLU  38           HG2      GLU  38  -3.211   7.759   5.170
  246    HG3  GLU  38           HG1      GLU  38  -4.014   7.366   3.650
  247    H    ASP  39           HN       ASP  39  -2.813   6.436   7.562
  248    HA   ASP  39           HA       ASP  39  -2.569   6.017   9.785
  249    HB2  ASP  39           HB2      ASP  39  -4.843   4.146   9.124
  250    HB3  ASP  39           HB1      ASP  39  -4.274   4.413  10.768
  251    H    HIS  40           HN       HIS  40  -2.848   3.639  11.271
  252    HA   HIS  40           HA       HIS  40  -1.600   1.873  11.976
  253    HD1  HIS  40           HD1      HIS  40  -3.965  -0.554   9.869
  254    HD2  HIS  40           HD2      HIS  40  -0.432  -0.822  12.039
  255    HE1  HIS  40           HE1      HIS  40  -4.192  -2.632  11.267
  256    HE2  HIS  40           HE2      HIS  40  -2.082  -2.721  12.641
  257    HB2  HIS  40           HB2      HIS  40  -2.435   1.299   9.344
  258    HB3  HIS  40           HB1      HIS  40  -0.751   0.797   9.441
  259    H    ILE  41           HN       ILE  41   0.631   0.599  11.036
  260    HA   ILE  41           HA       ILE  41   2.616   2.660  10.448
  261    HB   ILE  41           HB       ILE  41   2.460   2.473  12.933
  262   HG12  ILE  41          2HG1      ILE  41   4.966   1.981  13.237
  263   HG13  ILE  41          1HG1      ILE  41   4.994   1.692  11.502
  264   HG21  ILE  41          1HG2      ILE  41   2.007   0.368  13.613
  265   HG22  ILE  41          2HG2      ILE  41   3.766   0.252  13.674
  266   HG23  ILE  41          3HG2      ILE  41   2.890  -0.372  12.277
  267   HD11  ILE  41          3HD1      ILE  41   4.820   4.205  12.996
  268   HD12  ILE  41          1HD1      ILE  41   3.757   4.092  11.594
  269   HD13  ILE  41          2HD1      ILE  41   5.496   3.868  11.402
  270    H    HIS  42           HN       HIS  42   1.520  -0.586  10.387
  271    HA   HIS  42           HA       HIS  42   3.961  -1.432   8.971
  272    HD1  HIS  42           HD1      HIS  42   2.504  -2.980  12.883
  273    HD2  HIS  42           HD2      HIS  42   5.874  -2.706  10.469
  274    HE1  HIS  42           HE1      HIS  42   4.456  -2.866  14.464
  275    HE2  HIS  42           HE2      HIS  42   6.490  -2.813  12.979
  276    HB2  HIS  42           HB2      HIS  42   1.920  -3.060  10.495
  277    HB3  HIS  42           HB1      HIS  42   3.188  -3.767   9.500
  278    H    CYS  43           HN       CYS  43   3.559  -3.102   7.258
  279    HA   CYS  43           HA       CYS  43   1.341  -2.203   5.581
  280    HB2  CYS  43           HB2      CYS  43   3.015  -4.127   4.271
  281    HB3  CYS  43           HB1      CYS  43   2.799  -2.421   3.900
  282    H    CYS  44           HN       CYS  44   0.991  -4.024   7.887
  283    HA   CYS  44           HA       CYS  44  -0.257  -5.842   8.439
  284    HB2  CYS  44           HB2      CYS  44  -1.000  -5.825   5.506
  285    HB3  CYS  44           HB1      CYS  44  -1.818  -6.751   6.759
  286    HA   PRO  45           HA       PRO  45   2.186  -9.455   7.855
  287    HB2  PRO  45           HB2      PRO  45   0.238 -11.425   7.686
  288    HB3  PRO  45           HB1      PRO  45   0.899 -10.770   9.186
  289    HG2  PRO  45           HG2      PRO  45  -1.639 -10.087   7.773
  290    HG3  PRO  45           HG1      PRO  45  -1.321 -10.220   9.512
  291    HD2  PRO  45           HD2      PRO  45  -1.520  -7.837   8.292
  292    HD3  PRO  45           HD1      PRO  45  -0.376  -8.107   9.624
  293    H    ALA  46           HN       ALA  46   2.195 -11.580   6.435
  294    HA   ALA  46           HA       ALA  46   2.284 -10.698   3.730
  295    HB1  ALA  46           HB1      ALA  46   3.359 -12.836   5.242
  296    HB2  ALA  46           HB2      ALA  46   3.786 -12.318   3.612
  297    HB3  ALA  46           HB3      ALA  46   2.520 -13.522   3.852
  298    H    GLY  47           HN       GLY  47   0.830 -10.844   2.162
  299    HA2  GLY  47           HA2      GLY  47  -0.844 -11.929   0.899
  300    HA3  GLY  47           HA1      GLY  47  -1.272 -12.873   2.316
  301    H    PHE  48           HN       PHE  48  -1.235 -10.219   3.874
  302    HA   PHE  48           HA       PHE  48  -4.037  -9.683   3.465
  303    HD1  PHE  48           HD2      PHE  48  -1.922 -11.398   4.993
  304    HD2  PHE  48           HD1      PHE  48  -4.677  -9.143   7.324
  305    HE1  PHE  48           HE2      PHE  48  -2.300 -13.356   6.425
  306    HE2  PHE  48           HE1      PHE  48  -5.065 -11.098   8.762
  307    HZ   PHE  48           HZ       PHE  48  -3.878 -13.212   8.315
  308    HB2  PHE  48           HB2      PHE  48  -2.053  -8.542   5.440
  309    HB3  PHE  48           HB1      PHE  48  -3.778  -8.191   5.439
  310    H    THR  49           HN       THR  49  -4.633  -8.375   1.898
  311    HA   THR  49           HA       THR  49  -2.997  -6.012   1.287
  312    HB   THR  49           HB       THR  49  -5.280  -6.963  -0.417
  313    HG1  THR  49           HG1      THR  49  -2.683  -7.807  -1.028
  314   HG21  THR  49          3HG2      THR  49  -4.608  -5.265  -1.692
  315   HG22  THR  49          1HG2      THR  49  -3.041  -6.050  -1.887
  316   HG23  THR  49          2HG2      THR  49  -3.298  -4.912  -0.565
  317    H    CYS  50           HN       CYS  50  -3.892  -3.972   1.283
  318    HA   CYS  50           HA       CYS  50  -6.245  -3.616   2.944
  319    HB2  CYS  50           HB2      CYS  50  -3.960  -1.996   2.081
  320    HB3  CYS  50           HB1      CYS  50  -5.479  -1.107   2.110
  321    H    ASP  51           HN       ASP  51  -8.211  -3.140   2.293
  322    HA   ASP  51           HA       ASP  51  -8.758  -2.988  -0.544
  323    HB2  ASP  51           HB2      ASP  51 -10.196  -3.816   1.773
  324    HB3  ASP  51           HB1      ASP  51 -11.092  -2.491   1.040
  325    H    THR  52           HN       THR  52  -9.343  -1.204  -1.640
  326    HA   THR  52           HA       THR  52  -8.741   1.343  -0.511
  327    HB   THR  52           HB       THR  52  -8.198   0.931  -2.823
  328    HG1  THR  52           HG1      THR  52  -9.064   2.825  -3.671
  329   HG21  THR  52          3HG2      THR  52 -11.071   0.913  -3.630
  330   HG22  THR  52          1HG2      THR  52 -10.327  -0.585  -3.070
  331   HG23  THR  52          2HG2      THR  52  -9.663   0.260  -4.467
  332    H    GLN  53           HN       GLN  53 -10.724   0.379   1.027
  333    HA   GLN  53           HA       GLN  53 -12.944   2.193   0.422
  334    HB2  GLN  53           HB2      GLN  53 -14.573   0.610   1.107
  335    HB3  GLN  53           HB1      GLN  53 -13.511  -0.251   0.005
  336    HG2  GLN  53           HG2      GLN  53 -12.638  -1.574   1.640
  337    HG3  GLN  53           HG1      GLN  53 -12.914  -0.381   2.907
  338   HE21  GLN  53          1HE2      GLN  53 -14.767  -0.436   4.057
  339   HE22  GLN  53          2HE2      GLN  53 -16.012  -1.615   3.838
  340    H    LYS  54           HN       LYS  54 -10.808   0.622   2.635
  341    HA   LYS  54           HA       LYS  54 -10.910   2.718   4.527
  342    HB2  LYS  54           HB2      LYS  54 -13.113   1.317   4.886
  343    HB3  LYS  54           HB1      LYS  54 -12.025   0.193   5.692
  344    HG2  LYS  54           HG2      LYS  54 -13.074   1.691   7.288
  345    HG3  LYS  54           HG1      LYS  54 -11.332   1.963   7.228
  346    HD2  LYS  54           HD2      LYS  54 -11.619   4.091   6.639
  347    HD3  LYS  54           HD1      LYS  54 -12.696   3.636   5.318
  348    HE2  LYS  54           HE2      LYS  54 -14.343   3.257   7.408
  349    HE3  LYS  54           HE1      LYS  54 -13.321   4.538   8.060
  350    HZ1  LYS  54           HZ1      LYS  54 -14.431   4.838   5.358
  351    HZ2  LYS  54           HZ2      LYS  54 -14.030   6.027   6.493
  352    HZ3  LYS  54           HZ3      LYS  54 -15.439   5.112   6.690
  353    H    GLY  55           HN       GLY  55  -9.052   1.082   3.015
  354    HA2  GLY  55           HA2      GLY  55  -7.054  -0.029   3.289
  355    HA3  GLY  55           HA1      GLY  55  -7.015   0.722   4.882
  356    H    THR  56           HN       THR  56  -9.134  -1.704   3.386
  357    HA   THR  56           HA       THR  56  -9.099  -3.253   5.832
  358    HB   THR  56           HB       THR  56 -10.384  -4.223   3.307
  359    HG1  THR  56           HG1      THR  56 -11.402  -2.189   5.030
  360   HG21  THR  56          3HG2      THR  56 -11.811  -4.272   5.869
  361   HG22  THR  56          1HG2      THR  56 -10.312  -5.200   5.853
  362   HG23  THR  56          2HG2      THR  56 -11.578  -5.551   4.677
  363    H    CYS  57           HN       CYS  57  -7.287  -4.387   6.208
  364    HA   CYS  57           HA       CYS  57  -5.900  -5.776   4.071
  365    HB2  CYS  57           HB2      CYS  57  -5.369  -5.230   6.957
  366    HB3  CYS  57           HB1      CYS  57  -4.580  -6.617   6.219
  367    H    GLU  58           HN       GLU  58  -6.434  -7.784   3.444
  368    HA   GLU  58           HA       GLU  58  -7.368  -9.674   5.469
  369    HB2  GLU  58           HB2      GLU  58  -8.846  -9.167   2.883
  370    HB3  GLU  58           HB1      GLU  58  -9.220 -10.438   4.039
  371    HG2  GLU  58           HG2      GLU  58  -9.447  -8.456   5.715
  372    HG3  GLU  58           HG1      GLU  58  -9.653  -7.499   4.248
  373    H    GLN  59           HN       GLN  59  -7.261 -11.888   4.861
  374    HA   GLN  59           HA       GLN  59  -4.897 -12.642   3.633
  375    HB2  GLN  59           HB2      GLN  59  -7.403 -14.098   4.369
  376    HB3  GLN  59           HB1      GLN  59  -6.176 -14.931   3.425
  377    HG2  GLN  59           HG2      GLN  59  -4.894 -13.630   5.598
  378    HG3  GLN  59           HG1      GLN  59  -6.282 -14.524   6.219
  379   HE21  GLN  59          1HE2      GLN  59  -5.877 -16.533   6.765
  380   HE22  GLN  59          2HE2      GLN  59  -4.647 -17.547   6.101
  381    H    LYS  60           HN       LYS  60  -4.337 -12.341   1.611
  382    HA   LYS  60           HA       LYS  60  -4.293 -12.376  -0.646
  383    HB2  LYS  60           HB2      LYS  60  -6.592 -14.279  -0.217
  384    HB3  LYS  60           HB1      LYS  60  -5.946 -13.908  -1.811
  385    HG2  LYS  60           HG2      LYS  60  -3.902 -14.935  -1.355
  386    HG3  LYS  60           HG1      LYS  60  -4.175 -14.907   0.388
  387    HD2  LYS  60           HD2      LYS  60  -5.279 -16.852   0.348
  388    HD3  LYS  60           HD1      LYS  60  -6.232 -16.376  -1.059
  389    HE2  LYS  60           HE2      LYS  60  -4.705 -17.232  -2.552
  390    HE3  LYS  60           HE1      LYS  60  -3.357 -17.075  -1.426
  391    HZ1  LYS  60           HZ1      LYS  60  -5.174 -18.868  -0.312
  392    HZ2  LYS  60           HZ2      LYS  60  -3.624 -19.196  -0.906
  393    HZ3  LYS  60           HZ3      LYS  60  -4.965 -19.324  -1.928
  394    H    LEU  61           HN       LEU  61  -7.818 -12.576  -0.154
  395    HA   LEU  61           HA       LEU  61  -8.493 -10.745  -2.134
  396    HG   LEU  61           HG       LEU  61 -10.571 -11.593  -2.726
  397    HB2  LEU  61           HB2      LEU  61  -9.856 -11.978   0.176
  398    HB3  LEU  61           HB1      LEU  61 -10.576 -10.496  -0.424
  399   HD11  LEU  61          1HD1      LEU  61 -10.022 -14.014  -1.017
  400   HD12  LEU  61          2HD1      LEU  61  -9.012 -13.378  -2.315
  401   HD13  LEU  61          3HD1      LEU  61 -10.592 -14.069  -2.685
  402   HD21  LEU  61          3HD2      LEU  61 -12.728 -12.005  -2.346
  403   HD22  LEU  61          1HD2      LEU  61 -12.404 -11.605  -0.659
  404   HD23  LEU  61          2HD2      LEU  61 -12.362 -13.285  -1.191
  405    H    ALA  62           HN       ALA  62 -10.073  -8.796  -1.286
  406    HA   ALA  62           HA       ALA  62 -10.186  -6.677  -0.478
  407    HB1  ALA  62           HB1      ALA  62  -9.025  -6.121   1.626
  408    HB2  ALA  62           HB2      ALA  62  -8.201  -7.679   1.560
  409    HB3  ALA  62           HB3      ALA  62  -9.954  -7.616   1.736
  410    H    ALA  63           HN       ALA  63  -8.746  -6.967  -2.704
  411    HA   ALA  63           HA       ALA  63  -6.176  -5.630  -2.350
  412    HB1  ALA  63           HB1      ALA  63  -5.553  -6.622  -4.252
  413    HB2  ALA  63           HB2      ALA  63  -7.018  -6.118  -5.095
  414    HB3  ALA  63           HB3      ALA  63  -7.028  -7.575  -4.101
  415    H    ALA  64           HN       ALA  64  -9.359  -5.090  -3.760
  416    HA   ALA  64           HA       ALA  64  -9.081  -2.256  -3.541
  417    HB1  ALA  64           HB1      ALA  64  -8.782  -3.549  -6.217
  418    HB2  ALA  64           HB2      ALA  64  -7.894  -2.194  -5.520
  419    HB3  ALA  64           HB3      ALA  64  -9.551  -1.967  -6.085
  420    H    LEU  65           HN       LEU  65 -10.952  -2.893  -2.252
  421    HA   LEU  65           HA       LEU  65 -13.187  -2.864  -1.864
  422    HG   LEU  65           HG       LEU  65 -13.595  -0.704  -2.061
  423    HB2  LEU  65           HB2      LEU  65 -12.934  -1.685  -4.528
  424    HB3  LEU  65           HB1      LEU  65 -14.491  -2.444  -4.252
  425   HD11  LEU  65          1HD1      LEU  65 -14.409   1.314  -3.458
  426   HD12  LEU  65          2HD1      LEU  65 -13.942   0.329  -4.845
  427   HD13  LEU  65          3HD1      LEU  65 -12.742   0.768  -3.630
  428   HD21  LEU  65          3HD2      LEU  65 -16.147  -0.569  -3.630
  429   HD22  LEU  65          1HD2      LEU  65 -15.859  -0.150  -1.941
  430   HD23  LEU  65          2HD2      LEU  65 -15.862  -1.841  -2.441
  431    H    GLU  66           HN       GLU  66 -14.957  -4.258  -1.900
  432    HA   GLU  66           HA       GLU  66 -14.712  -6.588  -3.687
  433    HB2  GLU  66           HB2      GLU  66 -14.239  -6.611  -0.954
  434    HB3  GLU  66           HB1      GLU  66 -15.890  -7.197  -1.090
  435    HG2  GLU  66           HG2      GLU  66 -14.293  -8.488  -3.062
  436    HG3  GLU  66           HG1      GLU  66 -13.489  -8.612  -1.499
  437    H    HIS  67           HN       HIS  67 -16.925  -7.992  -2.946
  438    HA   HIS  67           HA       HIS  67 -19.178  -6.129  -3.226
  439    HD1  HIS  67           HD1      HIS  67 -19.174  -4.919  -5.616
  440    HD2  HIS  67           HD2      HIS  67 -21.887  -8.061  -5.798
  441    HE1  HIS  67           HE1      HIS  67 -21.214  -3.981  -6.748
  442    HE2  HIS  67           HE2      HIS  67 -22.803  -5.927  -6.937
  443    HB2  HIS  67           HB2      HIS  67 -18.211  -7.542  -5.364
  444    HB3  HIS  67           HB1      HIS  67 -19.462  -8.622  -4.757
  445    H    HIS  68           HN       HIS  68 -17.903  -8.176  -1.225
  446    HA   HIS  68           HA       HIS  68 -20.417  -9.581  -0.606
  447    HD1  HIS  68           HD1      HIS  68 -17.901 -13.123  -1.186
  448    HD2  HIS  68           HD2      HIS  68 -21.429 -11.459   0.247
  449    HE1  HIS  68           HE1      HIS  68 -19.630 -14.938  -1.383
  450    HE2  HIS  68           HE2      HIS  68 -21.776 -13.880  -0.594
  451    HB2  HIS  68           HB2      HIS  68 -17.787 -10.584  -0.872
  452    HB3  HIS  68           HB1      HIS  68 -18.179 -10.655   0.842
  453    H    HIS  69           HN       HIS  69 -19.111 -10.296   2.041
  454    HA   HIS  69           HA       HIS  69 -19.128  -9.562   4.187
  455    HD1  HIS  69           HD1      HIS  69 -16.193  -8.354   1.938
  456    HD2  HIS  69           HD2      HIS  69 -16.696  -8.348   6.062
  457    HE1  HIS  69           HE1      HIS  69 -14.016  -9.184   2.881
  458    HE2  HIS  69           HE2      HIS  69 -14.325  -9.125   5.382
  459    HB2  HIS  69           HB2      HIS  69 -18.282  -7.073   2.741
  460    HB3  HIS  69           HB1      HIS  69 -18.592  -7.027   4.474
  461    H    HIS  70           HN       HIS  70 -20.078  -7.408   5.495
  462    HA   HIS  70           HA       HIS  70 -22.923  -7.474   4.792
  463    HD1  HIS  70           HD1      HIS  70 -19.992  -5.733   6.578
  464    HD2  HIS  70           HD2      HIS  70 -21.366  -8.544   9.312
  465    HE1  HIS  70           HE1      HIS  70 -18.130  -6.016   8.243
  466    HE2  HIS  70           HE2      HIS  70 -18.954  -7.776   9.846
  467    HB2  HIS  70           HB2      HIS  70 -23.040  -6.442   7.218
  468    HB3  HIS  70           HB1      HIS  70 -22.822  -8.173   6.982
  469    H    HIS  71           HN       HIS  71 -20.301  -5.473   4.443
  470    HA   HIS  71           HA       HIS  71 -21.985  -3.057   4.513
  471    HD1  HIS  71           HD1      HIS  71 -18.540  -3.881   2.804
  472    HD2  HIS  71           HD2      HIS  71 -17.705  -3.572   6.861
  473    HE1  HIS  71           HE1      HIS  71 -16.278  -4.936   3.106
  474    HE2  HIS  71           HE2      HIS  71 -15.758  -4.663   5.556
  475    HB2  HIS  71           HB2      HIS  71 -19.807  -1.800   4.645
  476    HB3  HIS  71           HB1      HIS  71 -20.176  -2.788   6.054
  477    H    HIS  72           HN       HIS  72 -21.085  -1.327   2.929
  478    HA   HIS  72           HA       HIS  72 -21.439  -2.316   0.312
  479    HD1  HIS  72           HD1      HIS  72 -18.400   0.752   0.702
  480    HD2  HIS  72           HD2      HIS  72 -21.733   1.235   3.135
  481    HE1  HIS  72           HE1      HIS  72 -17.667   2.293   2.548
  482    HE2  HIS  72           HE2      HIS  72 -19.723   2.637   3.962
  483    HB2  HIS  72           HB2      HIS  72 -20.721   0.020  -0.366
  484    HB3  HIS  72           HB1      HIS  72 -22.087  -0.067   0.742
  Start of MODEL    5
    1    HA   ALA   1           HA       ALA   1  24.110  -3.549  -7.602
    2    H1   ALA   1           HT1      ALA   1  25.045  -2.308  -5.974
    3    H2   ALA   1           HT2      ALA   1  24.060  -2.929  -4.748
    4    H3   ALA   1           HT3      ALA   1  23.442  -1.783  -5.828
    5    HB1  ALA   1           HB1      ALA   1  23.255  -5.743  -6.166
    6    HB2  ALA   1           HB2      ALA   1  24.370  -4.935  -5.064
    7    HB3  ALA   1           HB3      ALA   1  24.912  -5.410  -6.673
    8    H    MET   2           HN       MET   2  22.335  -2.740  -8.592
    9    HA   MET   2           HA       MET   2  20.161  -2.429  -9.171
   10    HB2  MET   2           HB2      MET   2  20.268  -5.132  -7.968
   11    HB3  MET   2           HB1      MET   2  18.666  -4.435  -8.157
   12    HG2  MET   2           HG2      MET   2  20.656  -4.612 -10.400
   13    HG3  MET   2           HG1      MET   2  19.475  -5.873 -10.049
   14    HE1  MET   2           HE1      MET   2  16.893  -4.208  -9.164
   15    HE2  MET   2           HE2      MET   2  16.903  -5.597 -10.250
   16    HE3  MET   2           HE3      MET   2  16.083  -4.110 -10.727
   17    H    ASP   3           HN       ASP   3  18.508  -3.989  -6.693
   18    HA   ASP   3           HA       ASP   3  17.254  -3.302  -4.937
   19    HB2  ASP   3           HB2      ASP   3  18.543  -2.437  -3.332
   20    HB3  ASP   3           HB1      ASP   3  19.785  -2.126  -4.540
   21    H    VAL   4           HN       VAL   4  15.455  -2.067  -4.601
   22    HA   VAL   4           HA       VAL   4  14.867  -0.101  -6.679
   23    HB   VAL   4           HB       VAL   4  12.972  -1.213  -4.606
   24   HG11  VAL   4          1HG1      VAL   4  12.669   0.915  -6.311
   25   HG12  VAL   4          2HG1      VAL   4  11.358  -0.022  -5.595
   26   HG13  VAL   4          3HG1      VAL   4  11.938  -0.412  -7.214
   27   HG21  VAL   4          3HG2      VAL   4  12.857  -2.211  -7.381
   28   HG22  VAL   4          1HG2      VAL   4  12.564  -3.050  -5.858
   29   HG23  VAL   4          2HG2      VAL   4  14.217  -2.775  -6.409
   30    H    LYS   5           HN       LYS   5  15.695   1.843  -6.124
   31    HA   LYS   5           HA       LYS   5  15.345   2.830  -3.395
   32    HB2  LYS   5           HB2      LYS   5  16.935   3.842  -5.752
   33    HB3  LYS   5           HB1      LYS   5  16.753   4.760  -4.264
   34    HG2  LYS   5           HG2      LYS   5  17.577   2.114  -3.607
   35    HG3  LYS   5           HG1      LYS   5  18.638   2.751  -4.866
   36    HD2  LYS   5           HD2      LYS   5  19.713   3.572  -3.029
   37    HD3  LYS   5           HD1      LYS   5  18.579   4.896  -3.307
   38    HE2  LYS   5           HE2      LYS   5  17.055   3.947  -1.658
   39    HE3  LYS   5           HE1      LYS   5  18.156   2.596  -1.402
   40    HZ1  LYS   5           HZ1      LYS   5  19.792   4.619  -0.934
   41    HZ2  LYS   5           HZ2      LYS   5  18.849   3.910   0.278
   42    HZ3  LYS   5           HZ3      LYS   5  18.338   5.343  -0.461
   43    H    CYS   6           HN       CYS   6  13.280   3.513  -3.148
   44    HA   CYS   6           HA       CYS   6  11.953   5.048  -5.208
   45    HB2  CYS   6           HB2      CYS   6  11.177   3.633  -2.787
   46    HB3  CYS   6           HB1      CYS   6  10.404   5.210  -2.900
   47    H    ASP   7           HN       ASP   7  12.054   7.173  -5.407
   48    HA   ASP   7           HA       ASP   7  12.414   9.376  -4.995
   49    HB2  ASP   7           HB2      ASP   7  10.732   8.616  -3.050
   50    HB3  ASP   7           HB1      ASP   7  12.106   9.083  -2.054
   51    H    MET   8           HN       MET   8  14.525   7.175  -4.438
   52    HA   MET   8           HA       MET   8  16.700   7.033  -3.779
   53    HB2  MET   8           HB2      MET   8  16.865  10.021  -4.010
   54    HB3  MET   8           HB1      MET   8  18.071   8.813  -4.432
   55    HG2  MET   8           HG2      MET   8  16.978   8.243  -6.415
   56    HG3  MET   8           HG1      MET   8  15.473   9.010  -5.909
   57    HE1  MET   8           HE1      MET   8  15.182  10.842  -8.197
   58    HE2  MET   8           HE2      MET   8  16.094   9.371  -8.535
   59    HE3  MET   8           HE3      MET   8  16.714  10.934  -9.066
   60    H    GLU   9           HN       GLU   9  14.878   7.185  -1.648
   61    HA   GLU   9           HA       GLU   9  16.618   8.335   0.408
   62    HB2  GLU   9           HB2      GLU   9  14.525   9.787  -0.246
   63    HB3  GLU   9           HB1      GLU   9  13.654   8.608   0.725
   64    HG2  GLU   9           HG2      GLU   9  14.361  10.696   1.918
   65    HG3  GLU   9           HG1      GLU   9  14.850   9.182   2.675
   66    H    VAL  10           HN       VAL  10  14.342   5.980  -0.655
   67    HA   VAL  10           HA       VAL  10  14.679   4.499   1.872
   68    HB   VAL  10           HB       VAL  10  12.366   4.389  -0.071
   69   HG11  VAL  10          1HG1      VAL  10  13.279   2.513   1.943
   70   HG12  VAL  10          2HG1      VAL  10  12.032   2.328   0.710
   71   HG13  VAL  10          3HG1      VAL  10  11.639   3.079   2.256
   72   HG21  VAL  10          3HG2      VAL  10  11.303   5.039   2.325
   73   HG22  VAL  10          1HG2      VAL  10  11.786   6.220   1.108
   74   HG23  VAL  10          2HG2      VAL  10  12.872   5.835   2.442
   75    H    SER  11           HN       SER  11  15.263   2.345   1.773
   76    HA   SER  11           HA       SER  11  16.108   1.399  -0.885
   77    HG   SER  11           HG       SER  11  17.346  -0.932   0.190
   78    HB2  SER  11           HB2      SER  11  18.004   1.793   0.570
   79    HB3  SER  11           HB1      SER  11  17.279   0.806   1.839
   80    H    CYS  12           HN       CYS  12  14.362   0.216  -1.514
   81    HA   CYS  12           HA       CYS  12  13.624  -2.069   0.199
   82    HB2  CYS  12           HB2      CYS  12  11.981  -0.795  -2.002
   83    HB3  CYS  12           HB1      CYS  12  11.481  -2.135  -0.984
   84    HA   PRO  13           HA       PRO  13  16.005  -3.765  -3.372
   85    HB2  PRO  13           HB2      PRO  13  16.972  -5.907  -2.001
   86    HB3  PRO  13           HB1      PRO  13  17.734  -4.312  -1.978
   87    HG2  PRO  13           HG2      PRO  13  15.871  -5.545   0.021
   88    HG3  PRO  13           HG1      PRO  13  17.380  -4.657   0.302
   89    HD2  PRO  13           HD2      PRO  13  14.985  -3.477   0.584
   90    HD3  PRO  13           HD1      PRO  13  16.383  -2.596  -0.064
   91    H    ASP  14           HN       ASP  14  16.220  -6.427  -3.691
   92    HA   ASP  14           HA       ASP  14  13.858  -7.217  -4.844
   93    HB2  ASP  14           HB2      ASP  14  16.352  -8.252  -4.763
   94    HB3  ASP  14           HB1      ASP  14  15.509  -9.409  -3.737
   95    H    GLY  15           HN       GLY  15  12.006  -8.126  -4.203
   96    HA2  GLY  15           HA2      GLY  15  10.541  -9.342  -2.864
   97    HA3  GLY  15           HA1      GLY  15  11.822  -9.534  -1.677
   98    H    TYR  16           HN       TYR  16  11.760  -6.327  -2.433
   99    HA   TYR  16           HA       TYR  16   9.901  -5.753  -0.214
  100    HD1  TYR  16           HD1      TYR  16  13.774  -6.307  -0.579
  101    HD2  TYR  16           HD2      TYR  16  11.217  -4.631   2.376
  102    HE1  TYR  16           HE1      TYR  16  14.943  -7.598   1.154
  103    HE2  TYR  16           HE2      TYR  16  12.377  -5.911   4.120
  104    HH   TYR  16           HH       TYR  16  14.371  -8.488   3.490
  105    HB2  TYR  16           HB2      TYR  16  12.418  -4.285  -1.027
  106    HB3  TYR  16           HB1      TYR  16  11.275  -3.708   0.181
  107    H    THR  17           HN       THR  17   8.690  -3.831  -0.302
  108    HA   THR  17           HA       THR  17   8.367  -2.690  -3.005
  109    HB   THR  17           HB       THR  17   6.202  -3.239  -0.962
  110    HG1  THR  17           HG1      THR  17   6.634  -5.107  -2.065
  111   HG21  THR  17          3HG2      THR  17   6.003  -1.100  -2.352
  112   HG22  THR  17          1HG2      THR  17   4.646  -2.225  -2.404
  113   HG23  THR  17          2HG2      THR  17   5.794  -2.166  -3.741
  114    H    CYS  18           HN       CYS  18   8.370  -0.483  -3.137
  115    HA   CYS  18           HA       CYS  18   8.683   0.957  -0.597
  116    HB2  CYS  18           HB2      CYS  18   9.701   2.760  -1.992
  117    HB3  CYS  18           HB1      CYS  18  10.582   1.238  -2.043
  118    H    CYS  19           HN       CYS  19   6.777   1.672   0.092
  119    HA   CYS  19           HA       CYS  19   5.198   3.332  -1.754
  120    HB2  CYS  19           HB2      CYS  19   4.275   0.918  -1.243
  121    HB3  CYS  19           HB1      CYS  19   3.780   1.665   0.278
  122    H    ARG  20           HN       ARG  20   4.347   5.160  -0.894
  123    HA   ARG  20           HA       ARG  20   5.448   6.291   1.388
  124    HE   ARG  20           HE       ARG  20   6.256  10.676  -0.869
  125    HB2  ARG  20           HB2      ARG  20   2.944   6.909  -0.163
  126    HB3  ARG  20           HB1      ARG  20   3.417   7.863   1.234
  127    HG2  ARG  20           HG2      ARG  20   5.490   7.439  -0.821
  128    HG3  ARG  20           HG1      ARG  20   4.125   8.462  -1.273
  129    HD2  ARG  20           HD2      ARG  20   4.708   9.423   1.198
  130    HD3  ARG  20           HD1      ARG  20   6.308   8.948   0.632
  131   HH11  ARG  20          1HH1      ARG  20   3.039  10.126   0.355
  132   HH12  ARG  20          2HH1      ARG  20   2.376  11.543  -0.388
  133   HH21  ARG  20          1HH2      ARG  20   5.389  12.541  -1.854
  134   HH22  ARG  20          2HH2      ARG  20   3.711  12.915  -1.644
  135    H    LEU  21           HN       LEU  21   4.376   6.928   3.381
  136    HA   LEU  21           HA       LEU  21   2.524   4.840   4.345
  137    HG   LEU  21           HG       LEU  21   4.007   3.418   5.098
  138    HB2  LEU  21           HB2      LEU  21   4.934   6.090   5.548
  139    HB3  LEU  21           HB1      LEU  21   3.594   5.766   6.631
  140   HD11  LEU  21          1HD1      LEU  21   6.497   4.832   5.854
  141   HD12  LEU  21          2HD1      LEU  21   6.185   3.706   4.532
  142   HD13  LEU  21          3HD1      LEU  21   6.420   3.099   6.172
  143   HD21  LEU  21          3HD2      LEU  21   3.099   3.380   7.302
  144   HD22  LEU  21          1HD2      LEU  21   4.535   4.155   7.970
  145   HD23  LEU  21          2HD2      LEU  21   4.631   2.508   7.345
  146    H    GLN  22           HN       GLN  22   3.264   8.168   4.051
  147    HA   GLN  22           HA       GLN  22   0.619   9.017   4.513
  148    HB2  GLN  22           HB2      GLN  22   1.674   8.568   6.888
  149    HB3  GLN  22           HB1      GLN  22   2.460  10.116   6.604
  150    HG2  GLN  22           HG2      GLN  22   0.522  11.292   6.761
  151    HG3  GLN  22           HG1      GLN  22  -0.466   9.959   6.165
  152   HE21  GLN  22          1HE2      GLN  22   1.851  10.124   8.834
  153   HE22  GLN  22          2HE2      GLN  22   0.732   9.666  10.068
  154    H    SER  23           HN       SER  23   4.028   9.965   4.701
  155    HA   SER  23           HA       SER  23   4.143  11.515   2.439
  156    HG   SER  23           HG       SER  23   4.001  14.501   2.653
  157    HB2  SER  23           HB2      SER  23   2.457  12.775   4.155
  158    HB3  SER  23           HB1      SER  23   3.986  13.560   4.551
  159    H    GLY  24           HN       GLY  24   5.145  11.139   5.772
  160    HA2  GLY  24           HA2      GLY  24   7.501  12.553   5.875
  161    HA3  GLY  24           HA1      GLY  24   7.242  11.028   6.708
  162    H    ALA  25           HN       ALA  25   7.144   9.191   4.754
  163    HA   ALA  25           HA       ALA  25   9.160   9.510   2.764
  164    HB1  ALA  25           HB1      ALA  25  10.775   7.884   3.702
  165    HB2  ALA  25           HB2      ALA  25   9.875   7.909   5.219
  166    HB3  ALA  25           HB3      ALA  25  10.669   9.374   4.640
  167    H    TRP  26           HN       TRP  26   9.950   6.884   2.429
  168    HA   TRP  26           HA       TRP  26   7.377   5.600   1.824
  169    HD1  TRP  26           HD1      TRP  26  10.361   7.807   0.251
  170    HE1  TRP  26           HE1      TRP  26   9.430   9.336  -1.599
  171    HE3  TRP  26           HE3      TRP  26   6.663   4.763  -1.531
  172    HZ2  TRP  26           HZ2      TRP  26   7.396   9.259  -3.556
  173    HZ3  TRP  26           HZ3      TRP  26   5.269   5.564  -3.393
  174    HH2  TRP  26           HH2      TRP  26   5.627   7.767  -4.381
  175    HB2  TRP  26           HB2      TRP  26  10.069   5.064   0.557
  176    HB3  TRP  26           HB1      TRP  26   8.518   4.414   0.040
  177    H    GLY  27           HN       GLY  27   7.221   3.291   2.013
  178    HA2  GLY  27           HA2      GLY  27   8.971   2.222   4.138
  179    HA3  GLY  27           HA1      GLY  27   7.258   1.852   4.007
  180    H    CYS  28           HN       CYS  28   9.436  -0.021   4.123
  181    HA   CYS  28           HA       CYS  28   9.425  -1.166   1.418
  182    HB2  CYS  28           HB2      CYS  28  11.212  -1.645   3.799
  183    HB3  CYS  28           HB1      CYS  28  11.236  -2.668   2.368
  184    H    CYS  29           HN       CYS  29   7.972  -2.684   1.030
  185    HA   CYS  29           HA       CYS  29   6.973  -4.316   3.257
  186    HB2  CYS  29           HB2      CYS  29   5.502  -2.931   1.505
  187    HB3  CYS  29           HB1      CYS  29   5.694  -4.405   0.564
  188    HA   PRO  30           HA       PRO  30   9.590  -7.500   1.429
  189    HB2  PRO  30           HB2      PRO  30   9.312  -9.307   3.386
  190    HB3  PRO  30           HB1      PRO  30  10.267  -7.834   3.623
  191    HG2  PRO  30           HG2      PRO  30   7.405  -8.355   4.369
  192    HG3  PRO  30           HG1      PRO  30   8.715  -7.732   5.395
  193    HD2  PRO  30           HD2      PRO  30   6.950  -6.081   4.243
  194    HD3  PRO  30           HD1      PRO  30   8.664  -5.635   4.387
  195    H    PHE  31           HN       PHE  31   7.718  -7.567  -0.186
  196    HA   PHE  31           HA       PHE  31   6.838 -10.265  -0.407
  197    HD1  PHE  31           HD2      PHE  31   5.479  -6.491   0.196
  198    HD2  PHE  31           HD1      PHE  31   2.788  -9.421  -1.314
  199    HE1  PHE  31           HE2      PHE  31   4.105  -4.711  -0.801
  200    HE2  PHE  31           HE1      PHE  31   1.414  -7.645  -2.317
  201    HZ   PHE  31           HZ       PHE  31   2.072  -5.290  -2.058
  202    HB2  PHE  31           HB2      PHE  31   4.562 -10.102  -0.052
  203    HB3  PHE  31           HB1      PHE  31   5.155  -8.977   1.165
  204    H    THR  32           HN       THR  32   4.891 -10.081  -2.305
  205    HA   THR  32           HA       THR  32   6.333  -9.328  -4.619
  206    HB   THR  32           HB       THR  32   3.412  -9.552  -4.931
  207    HG1  THR  32           HG1      THR  32   3.204 -11.539  -4.094
  208   HG21  THR  32          3HG2      THR  32   5.765 -10.081  -6.408
  209   HG22  THR  32          1HG2      THR  32   4.090 -10.263  -6.930
  210   HG23  THR  32          2HG2      THR  32   4.935 -11.622  -6.186
  211    H    GLN  33           HN       GLN  33   4.252  -8.136  -6.197
  212    HA   GLN  33           HA       GLN  33   4.344  -5.401  -5.112
  213    HB2  GLN  33           HB2      GLN  33   4.070  -6.283  -7.988
  214    HB3  GLN  33           HB1      GLN  33   4.236  -4.627  -7.424
  215    HG2  GLN  33           HG2      GLN  33   6.419  -5.973  -6.347
  216    HG3  GLN  33           HG1      GLN  33   6.263  -6.586  -7.993
  217   HE21  GLN  33          1HE2      GLN  33   5.337  -4.416  -9.337
  218   HE22  GLN  33          2HE2      GLN  33   6.513  -3.152  -9.310
  219    H    ALA  34           HN       ALA  34   2.532  -4.198  -6.819
  220    HA   ALA  34           HA       ALA  34   0.335  -3.750  -7.160
  221    HB1  ALA  34           HB1      ALA  34  -0.569  -5.511  -8.164
  222    HB2  ALA  34           HB2      ALA  34  -1.077  -6.080  -6.573
  223    HB3  ALA  34           HB3      ALA  34   0.453  -6.625  -7.258
  224    H    VAL  35           HN       VAL  35   0.348  -2.382  -5.347
  225    HA   VAL  35           HA       VAL  35  -1.554  -3.116  -3.328
  226    HB   VAL  35           HB       VAL  35   0.237  -2.220  -1.541
  227   HG11  VAL  35          1HG1      VAL  35   0.112  -4.303  -0.633
  228   HG12  VAL  35          2HG1      VAL  35   0.424  -5.115  -2.166
  229   HG13  VAL  35          3HG1      VAL  35  -1.171  -4.442  -1.834
  230   HG21  VAL  35          3HG2      VAL  35   1.902  -3.873  -3.437
  231   HG22  VAL  35          1HG2      VAL  35   2.417  -3.162  -1.907
  232   HG23  VAL  35          2HG2      VAL  35   2.020  -2.122  -3.275
  233    H    CYS  36           HN       CYS  36  -1.439  -1.181  -1.553
  234    HA   CYS  36           HA       CYS  36  -1.948   1.004  -1.189
  235    HB2  CYS  36           HB2      CYS  36   0.025   1.617  -3.396
  236    HB3  CYS  36           HB1      CYS  36  -0.460   2.673  -2.076
  237    H    CYS  37           HN       CYS  37  -3.330  -0.589  -3.278
  238    HA   CYS  37           HA       CYS  37  -4.005   0.861  -5.537
  239    HB2  CYS  37           HB2      CYS  37  -5.933  -0.849  -3.957
  240    HB3  CYS  37           HB1      CYS  37  -5.970  -0.515  -5.685
  241    H    GLU  38           HN       GLU  38  -6.004   0.669  -2.586
  242    HA   GLU  38           HA       GLU  38  -6.947   3.398  -3.174
  243    HB2  GLU  38           HB2      GLU  38  -8.382   1.042  -1.960
  244    HB3  GLU  38           HB1      GLU  38  -8.981   2.687  -1.796
  245    HG2  GLU  38           HG2      GLU  38  -8.453   1.340  -4.432
  246    HG3  GLU  38           HG1      GLU  38 -10.024   1.384  -3.635
  247    H    ASP  39           HN       ASP  39  -5.188   1.488  -1.057
  248    HA   ASP  39           HA       ASP  39  -5.572   3.391   1.158
  249    HB2  ASP  39           HB2      ASP  39  -4.109   0.916   1.759
  250    HB3  ASP  39           HB1      ASP  39  -5.419   1.695   2.641
  251    H    HIS  40           HN       HIS  40  -3.423   3.270   2.610
  252    HA   HIS  40           HA       HIS  40  -0.981   3.192   1.094
  253    HD1  HIS  40           HD1      HIS  40  -3.225   7.040   0.147
  254    HD2  HIS  40           HD2      HIS  40  -2.671   5.768   4.063
  255    HE1  HIS  40           HE1      HIS  40  -4.965   8.250   1.498
  256    HE2  HIS  40           HE2      HIS  40  -4.540   7.547   3.880
  257    HB2  HIS  40           HB2      HIS  40  -0.513   5.673   1.755
  258    HB3  HIS  40           HB1      HIS  40  -1.454   5.329   0.309
  259    H    ILE  41           HN       ILE  41  -1.608   1.714   3.245
  260    HA   ILE  41           HA       ILE  41   0.414   2.466   5.124
  261    HB   ILE  41           HB       ILE  41  -2.046   3.525   5.701
  262   HG12  ILE  41          2HG1      ILE  41   0.143   4.124   6.686
  263   HG13  ILE  41          1HG1      ILE  41  -1.129   4.009   7.896
  264   HG21  ILE  41          1HG2      ILE  41  -3.051   1.360   6.123
  265   HG22  ILE  41          2HG2      ILE  41  -2.946   2.289   7.618
  266   HG23  ILE  41          3HG2      ILE  41  -1.798   0.988   7.308
  267   HD11  ILE  41          3HD1      ILE  41   1.343   2.500   7.621
  268   HD12  ILE  41          1HD1      ILE  41  -0.072   1.486   7.910
  269   HD13  ILE  41          2HD1      ILE  41   0.332   2.780   9.039
  270    H    HIS  42           HN       HIS  42  -1.718   0.282   3.684
  271    HA   HIS  42           HA       HIS  42  -0.489  -1.933   5.168
  272    HD1  HIS  42           HD1      HIS  42  -3.856  -1.916   7.614
  273    HD2  HIS  42           HD2      HIS  42  -1.021  -4.449   5.933
  274    HE1  HIS  42           HE1      HIS  42  -3.280  -3.573   9.417
  275    HE2  HIS  42           HE2      HIS  42  -1.614  -5.135   8.356
  276    HB2  HIS  42           HB2      HIS  42  -3.212  -1.196   5.340
  277    HB3  HIS  42           HB1      HIS  42  -3.152  -2.658   4.363
  278    H    CYS  43           HN       CYS  43   0.853  -2.601   3.561
  279    HA   CYS  43           HA       CYS  43  -0.061  -2.841   0.835
  280    HB2  CYS  43           HB2      CYS  43   2.307  -4.019   0.696
  281    HB3  CYS  43           HB1      CYS  43   2.164  -2.269   0.813
  282    H    CYS  44           HN       CYS  44  -1.339  -4.469   2.958
  283    HA   CYS  44           HA       CYS  44  -2.234  -6.546   3.187
  284    HB2  CYS  44           HB2      CYS  44  -1.063  -6.856   0.424
  285    HB3  CYS  44           HB1      CYS  44  -2.023  -8.108   1.205
  286    HA   PRO  45           HA       PRO  45   0.896  -8.900   5.216
  287    HB2  PRO  45           HB2      PRO  45  -0.856 -11.243   4.706
  288    HB3  PRO  45           HB1      PRO  45  -0.211 -10.631   6.232
  289    HG2  PRO  45           HG2      PRO  45  -2.774 -10.282   5.601
  290    HG3  PRO  45           HG1      PRO  45  -1.856  -9.010   6.431
  291    HD2  PRO  45           HD2      PRO  45  -2.652  -9.207   3.553
  292    HD3  PRO  45           HD1      PRO  45  -2.598  -7.784   4.614
  293    H    ALA  46           HN       ALA  46   2.357 -10.718   4.876
  294    HA   ALA  46           HA       ALA  46   3.294 -10.857   2.224
  295    HB1  ALA  46           HB1      ALA  46   5.102 -11.905   3.088
  296    HB2  ALA  46           HB2      ALA  46   4.132 -12.985   4.091
  297    HB3  ALA  46           HB3      ALA  46   4.422 -11.324   4.609
  298    H    GLY  47           HN       GLY  47   2.609 -12.037   0.573
  299    HA2  GLY  47           HA2      GLY  47   2.225 -14.299  -0.284
  300    HA3  GLY  47           HA1      GLY  47   1.275 -14.604   1.164
  301    H    PHE  48           HN       PHE  48   0.112 -11.824   0.874
  302    HA   PHE  48           HA       PHE  48  -1.848 -12.521  -1.204
  303    HD1  PHE  48           HD1      PHE  48  -3.857 -14.012   0.371
  304    HD2  PHE  48           HD2      PHE  48  -1.327 -11.809   2.981
  305    HE1  PHE  48           HE1      PHE  48  -3.888 -15.882   1.975
  306    HE2  PHE  48           HE2      PHE  48  -1.348 -13.668   4.590
  307    HZ   PHE  48           HZ       PHE  48  -2.632 -15.711   4.089
  308    HB2  PHE  48           HB2      PHE  48  -2.391 -10.737   1.156
  309    HB3  PHE  48           HB1      PHE  48  -3.549 -11.585   0.136
  310    H    THR  49           HN       THR  49  -2.922 -10.747  -2.269
  311    HA   THR  49           HA       THR  49  -1.375  -8.250  -2.347
  312    HB   THR  49           HB       THR  49  -0.650  -9.575  -4.266
  313    HG1  THR  49           HG1      THR  49  -1.813  -8.012  -5.907
  314   HG21  THR  49          3HG2      THR  49  -3.239 -10.538  -4.300
  315   HG22  THR  49          1HG2      THR  49  -2.010 -10.824  -5.532
  316   HG23  THR  49          2HG2      THR  49  -3.169  -9.507  -5.729
  317    H    CYS  50           HN       CYS  50  -2.655  -6.573  -3.715
  318    HA   CYS  50           HA       CYS  50  -5.305  -6.429  -2.561
  319    HB2  CYS  50           HB2      CYS  50  -4.463  -4.321  -2.432
  320    HB3  CYS  50           HB1      CYS  50  -3.404  -4.546  -3.817
  321    H    ASP  51           HN       ASP  51  -6.988  -7.305  -3.537
  322    HA   ASP  51           HA       ASP  51  -6.994  -7.491  -6.472
  323    HB2  ASP  51           HB2      ASP  51  -8.422  -9.170  -4.402
  324    HB3  ASP  51           HB1      ASP  51  -8.665  -9.323  -6.139
  325    H    THR  52           HN       THR  52  -9.226  -7.521  -7.433
  326    HA   THR  52           HA       THR  52 -11.158  -6.459  -7.957
  327    HB   THR  52           HB       THR  52 -11.843  -5.520  -5.263
  328    HG1  THR  52           HG1      THR  52 -12.142  -8.218  -5.302
  329   HG21  THR  52          3HG2      THR  52 -13.095  -6.624  -7.619
  330   HG22  THR  52          1HG2      THR  52 -13.815  -5.709  -6.294
  331   HG23  THR  52          2HG2      THR  52 -13.643  -7.459  -6.166
  332    H    GLN  53           HN       GLN  53  -8.511  -4.957  -7.158
  333    HA   GLN  53           HA       GLN  53  -7.717  -2.831  -7.276
  334    HB2  GLN  53           HB2      GLN  53  -9.767  -3.023  -9.169
  335    HB3  GLN  53           HB1      GLN  53 -10.061  -1.506  -8.331
  336    HG2  GLN  53           HG2      GLN  53  -7.482  -2.316  -9.655
  337    HG3  GLN  53           HG1      GLN  53  -8.675  -1.194 -10.309
  338   HE21  GLN  53          1HE2      GLN  53  -5.976  -1.586  -8.283
  339   HE22  GLN  53          2HE2      GLN  53  -5.891   0.033  -7.684
  340    H    LYS  54           HN       LYS  54  -9.968  -3.720  -5.203
  341    HA   LYS  54           HA       LYS  54 -10.587  -1.066  -4.140
  342    HB2  LYS  54           HB2      LYS  54 -12.540  -2.304  -4.083
  343    HB3  LYS  54           HB1      LYS  54 -11.702  -3.811  -3.744
  344    HG2  LYS  54           HG2      LYS  54 -12.906  -3.275  -1.796
  345    HG3  LYS  54           HG1      LYS  54 -11.221  -2.886  -1.445
  346    HD2  LYS  54           HD2      LYS  54 -11.866  -0.836  -0.879
  347    HD3  LYS  54           HD1      LYS  54 -12.342  -0.563  -2.556
  348    HE2  LYS  54           HE2      LYS  54 -14.041  -1.521  -0.268
  349    HE3  LYS  54           HE1      LYS  54 -14.247  -0.070  -1.249
  350    HZ1  LYS  54           HZ1      LYS  54 -14.414  -1.906  -3.133
  351    HZ2  LYS  54           HZ2      LYS  54 -15.763  -1.388  -2.254
  352    HZ3  LYS  54           HZ3      LYS  54 -14.982  -2.829  -1.833
  353    H    GLY  55           HN       GLY  55  -8.916  -4.060  -3.333
  354    HA2  GLY  55           HA2      GLY  55  -6.772  -3.567  -2.084
  355    HA3  GLY  55           HA1      GLY  55  -7.810  -2.731  -0.941
  356    H    THR  56           HN       THR  56  -8.648  -5.754  -2.538
  357    HA   THR  56           HA       THR  56  -9.004  -6.994   0.062
  358    HB   THR  56           HB       THR  56  -9.362  -8.790  -2.192
  359    HG1  THR  56           HG1      THR  56 -10.577  -6.228  -2.264
  360   HG21  THR  56          3HG2      THR  56 -11.369  -9.296  -1.123
  361   HG22  THR  56          1HG2      THR  56 -11.529  -7.676  -0.443
  362   HG23  THR  56          2HG2      THR  56 -10.331  -8.793   0.212
  363    H    CYS  57           HN       CYS  57  -7.300  -7.864   1.045
  364    HA   CYS  57           HA       CYS  57  -5.019  -8.794  -0.467
  365    HB2  CYS  57           HB2      CYS  57  -5.427  -9.015   2.514
  366    HB3  CYS  57           HB1      CYS  57  -3.905  -9.015   1.629
  367    H    GLU  58           HN       GLU  58  -5.311 -10.676  -1.488
  368    HA   GLU  58           HA       GLU  58  -6.040 -12.990   0.171
  369    HB2  GLU  58           HB2      GLU  58  -7.004 -12.664  -2.670
  370    HB3  GLU  58           HB1      GLU  58  -7.462 -13.911  -1.519
  371    HG2  GLU  58           HG2      GLU  58  -8.325 -11.881  -0.117
  372    HG3  GLU  58           HG1      GLU  58  -8.326 -11.066  -1.680
  373    H    GLN  59           HN       GLN  59  -5.419 -15.082  -0.851
  374    HA   GLN  59           HA       GLN  59  -2.689 -14.948  -1.684
  375    HB2  GLN  59           HB2      GLN  59  -3.078 -17.510  -1.947
  376    HB3  GLN  59           HB1      GLN  59  -3.091 -16.793  -0.342
  377    HG2  GLN  59           HG2      GLN  59  -5.731 -16.653  -1.256
  378    HG3  GLN  59           HG1      GLN  59  -5.146 -18.255  -1.708
  379   HE21  GLN  59          1HE2      GLN  59  -3.496 -18.928   0.294
  380   HE22  GLN  59          2HE2      GLN  59  -4.348 -19.010   1.794
  381    H    LYS  60           HN       LYS  60  -3.433 -13.587  -3.602
  382    HA   LYS  60           HA       LYS  60  -3.791 -13.301  -5.814
  383    HB2  LYS  60           HB2      LYS  60  -2.587 -16.017  -6.246
  384    HB3  LYS  60           HB1      LYS  60  -2.394 -14.560  -7.212
  385    HG2  LYS  60           HG2      LYS  60  -1.400 -14.506  -4.418
  386    HG3  LYS  60           HG1      LYS  60  -0.493 -15.446  -5.606
  387    HD2  LYS  60           HD2      LYS  60  -0.567 -13.363  -7.071
  388    HD3  LYS  60           HD1      LYS  60  -1.111 -12.503  -5.628
  389    HE2  LYS  60           HE2      LYS  60   1.148 -14.080  -4.930
  390    HE3  LYS  60           HE1      LYS  60   1.537 -13.181  -6.396
  391    HZ1  LYS  60           HZ1      LYS  60   1.122 -12.225  -3.703
  392    HZ2  LYS  60           HZ2      LYS  60   0.340 -11.307  -4.889
  393    HZ3  LYS  60           HZ3      LYS  60   2.012 -11.543  -4.969
  394    H    LEU  61           HN       LEU  61  -6.079 -13.425  -5.720
  395    HA   LEU  61           HA       LEU  61  -7.163 -15.918  -6.857
  396    HG   LEU  61           HG       LEU  61  -8.974 -17.016  -5.814
  397    HB2  LEU  61           HB2      LEU  61  -7.876 -14.571  -4.438
  398    HB3  LEU  61           HB1      LEU  61  -9.233 -14.493  -5.546
  399   HD11  LEU  61          1HD1      LEU  61  -7.537 -18.203  -4.555
  400   HD12  LEU  61          2HD1      LEU  61  -7.715 -17.140  -3.160
  401   HD13  LEU  61          3HD1      LEU  61  -6.647 -16.682  -4.486
  402   HD21  LEU  61          3HD2      LEU  61  -9.770 -17.061  -3.146
  403   HD22  LEU  61          1HD2      LEU  61 -10.803 -16.857  -4.561
  404   HD23  LEU  61          2HD2      LEU  61 -10.175 -15.442  -3.716
  405    H    ALA  62           HN       ALA  62  -6.583 -12.687  -7.384
  406    HA   ALA  62           HA       ALA  62  -8.205 -12.676  -9.759
  407    HB1  ALA  62           HB1      ALA  62 -10.007 -11.811  -8.726
  408    HB2  ALA  62           HB2      ALA  62  -9.103 -10.301  -8.844
  409    HB3  ALA  62           HB3      ALA  62  -9.072 -11.232  -7.347
  410    H    ALA  63           HN       ALA  63  -5.474 -11.931  -8.184
  411    HA   ALA  63           HA       ALA  63  -3.633 -10.682  -8.647
  412    HB1  ALA  63           HB1      ALA  63  -3.343  -9.877 -10.963
  413    HB2  ALA  63           HB2      ALA  63  -5.019 -10.307 -11.298
  414    HB3  ALA  63           HB3      ALA  63  -3.854 -11.563 -10.884
  415    H    ALA  64           HN       ALA  64  -5.656  -8.652 -10.694
  416    HA   ALA  64           HA       ALA  64  -6.058  -6.667  -8.640
  417    HB1  ALA  64           HB1      ALA  64  -3.659  -6.402  -9.499
  418    HB2  ALA  64           HB2      ALA  64  -4.680  -4.965  -9.455
  419    HB3  ALA  64           HB3      ALA  64  -4.396  -5.798 -10.983
  420    H    LEU  65           HN       LEU  65  -8.194  -7.465  -9.500
  421    HA   LEU  65           HA       LEU  65 -10.107  -7.151 -10.691
  422    HG   LEU  65           HG       LEU  65 -11.422  -5.516 -12.032
  423    HB2  LEU  65           HB2      LEU  65  -9.659  -4.832  -9.860
  424    HB3  LEU  65           HB1      LEU  65  -8.878  -4.486 -11.391
  425   HD11  LEU  65          1HD1      LEU  65 -12.635  -3.494 -10.795
  426   HD12  LEU  65          2HD1      LEU  65 -11.416  -3.866  -9.576
  427   HD13  LEU  65          3HD1      LEU  65 -12.544  -5.115 -10.105
  428   HD21  LEU  65          3HD2      LEU  65 -11.784  -3.139 -12.789
  429   HD22  LEU  65          1HD2      LEU  65 -10.327  -3.922 -13.403
  430   HD23  LEU  65          2HD2      LEU  65 -10.213  -2.760 -12.081
  431    H    GLU  66           HN       GLU  66  -9.500  -8.812 -12.192
  432    HA   GLU  66           HA       GLU  66  -9.468  -7.851 -14.908
  433    HB2  GLU  66           HB2      GLU  66  -7.006  -8.398 -13.752
  434    HB3  GLU  66           HB1      GLU  66  -7.384  -9.871 -14.635
  435    HG2  GLU  66           HG2      GLU  66  -7.377  -7.100 -15.808
  436    HG3  GLU  66           HG1      GLU  66  -6.073  -8.277 -15.960
  437    H    HIS  67           HN       HIS  67  -8.785 -10.833 -13.068
  438    HA   HIS  67           HA       HIS  67 -10.093 -12.530 -14.914
  439    HD1  HIS  67           HD1      HIS  67  -6.708 -12.560 -12.824
  440    HD2  HIS  67           HD2      HIS  67  -8.761 -15.431 -15.017
  441    HE1  HIS  67           HE1      HIS  67  -4.953 -13.767 -14.160
  442    HE2  HIS  67           HE2      HIS  67  -6.224 -15.466 -15.519
  443    HB2  HIS  67           HB2      HIS  67  -9.129 -12.855 -12.089
  444    HB3  HIS  67           HB1      HIS  67 -10.069 -14.129 -12.861
  445    H    HIS  68           HN       HIS  68 -12.020 -13.819 -14.504
  446    HA   HIS  68           HA       HIS  68 -14.126 -12.185 -13.290
  447    HD1  HIS  68           HD1      HIS  68 -14.972 -11.684 -16.885
  448    HD2  HIS  68           HD2      HIS  68 -17.298 -12.906 -13.666
  449    HE1  HIS  68           HE1      HIS  68 -17.067 -10.301 -17.007
  450    HE2  HIS  68           HE2      HIS  68 -18.503 -11.130 -15.109
  451    HB2  HIS  68           HB2      HIS  68 -13.973 -13.617 -15.692
  452    HB3  HIS  68           HB1      HIS  68 -15.065 -14.549 -14.674
  453    H    HIS  69           HN       HIS  69 -15.962 -13.468 -12.276
  454    HA   HIS  69           HA       HIS  69 -14.940 -15.768 -10.754
  455    HD1  HIS  69           HD1      HIS  69 -14.047 -12.043  -9.945
  456    HD2  HIS  69           HD2      HIS  69 -13.850 -15.457  -7.586
  457    HE1  HIS  69           HE1      HIS  69 -11.840 -11.905  -8.746
  458    HE2  HIS  69           HE2      HIS  69 -11.789 -13.931  -7.250
  459    HB2  HIS  69           HB2      HIS  69 -16.307 -13.306  -9.678
  460    HB3  HIS  69           HB1      HIS  69 -16.280 -14.822  -8.785
  461    H    HIS  70           HN       HIS  70 -17.061 -16.474  -9.297
  462    HA   HIS  70           HA       HIS  70 -19.014 -17.225 -11.338
  463    HD1  HIS  70           HD1      HIS  70 -19.779 -18.763 -12.197
  464    HD2  HIS  70           HD2      HIS  70 -20.232 -20.877  -8.647
  465    HE1  HIS  70           HE1      HIS  70 -21.302 -20.686 -12.750
  466    HE2  HIS  70           HE2      HIS  70 -21.628 -21.903 -10.567
  467    HB2  HIS  70           HB2      HIS  70 -17.775 -18.823  -9.635
  468    HB3  HIS  70           HB1      HIS  70 -19.074 -18.323  -8.558
  469    H    HIS  71           HN       HIS  71 -19.929 -15.029 -11.293
  470    HA   HIS  71           HA       HIS  71 -21.821 -14.707  -9.055
  471    HD1  HIS  71           HD1      HIS  71 -22.379 -11.385  -7.928
  472    HD2  HIS  71           HD2      HIS  71 -18.815 -13.511  -7.742
  473    HE1  HIS  71           HE1      HIS  71 -21.547 -11.098  -5.572
  474    HE2  HIS  71           HE2      HIS  71 -19.352 -12.332  -5.504
  475    HB2  HIS  71           HB2      HIS  71 -19.979 -12.797 -10.301
  476    HB3  HIS  71           HB1      HIS  71 -21.631 -12.201 -10.176
  477    H    HIS  72           HN       HIS  72 -23.642 -13.072  -9.846
  478    HA   HIS  72           HA       HIS  72 -24.431 -13.371 -12.589
  479    HD1  HIS  72           HD1      HIS  72 -27.435 -13.774 -13.429
  480    HD2  HIS  72           HD2      HIS  72 -25.025 -17.142 -13.098
  481    HE1  HIS  72           HE1      HIS  72 -27.818 -15.084 -15.541
  482    HE2  HIS  72           HE2      HIS  72 -26.283 -17.073 -15.357
  483    HB2  HIS  72           HB2      HIS  72 -25.102 -15.489 -10.959
  484    HB3  HIS  72           HB1      HIS  72 -26.550 -14.489 -10.905
  Start of MODEL    6
    1    HA   ALA   1           HA       ALA   1  21.552  -5.587  -3.217
    2    H1   ALA   1           HT1      ALA   1  23.121  -5.296  -5.358
    3    H2   ALA   1           HT2      ALA   1  23.208  -6.594  -4.278
    4    H3   ALA   1           HT3      ALA   1  24.272  -5.290  -4.117
    5    HB1  ALA   1           HB1      ALA   1  22.271  -4.201  -1.446
    6    HB2  ALA   1           HB2      ALA   1  23.636  -3.589  -2.378
    7    HB3  ALA   1           HB3      ALA   1  23.630  -5.261  -1.817
    8    H    MET   2           HN       MET   2  20.361  -3.499  -2.684
    9    HA   MET   2           HA       MET   2  19.142  -1.729  -3.422
   10    HB2  MET   2           HB2      MET   2  21.808  -1.057  -4.664
   11    HB3  MET   2           HB1      MET   2  20.420   0.019  -4.743
   12    HG2  MET   2           HG2      MET   2  20.425  -0.298  -2.141
   13    HG3  MET   2           HG1      MET   2  22.112  -0.730  -2.416
   14    HE1  MET   2           HE1      MET   2  23.833   0.691  -3.485
   15    HE2  MET   2           HE2      MET   2  23.741   2.431  -3.758
   16    HE3  MET   2           HE3      MET   2  22.971   1.318  -4.889
   17    H    ASP   3           HN       ASP   3  17.612  -2.730  -4.677
   18    HA   ASP   3           HA       ASP   3  18.211  -2.937  -7.554
   19    HB2  ASP   3           HB2      ASP   3  17.038  -4.810  -5.738
   20    HB3  ASP   3           HB1      ASP   3  15.833  -4.363  -6.942
   21    H    VAL   4           HN       VAL   4  15.367  -2.477  -5.429
   22    HA   VAL   4           HA       VAL   4  14.272  -0.654  -7.457
   23    HB   VAL   4           HB       VAL   4  12.730  -1.743  -5.114
   24   HG11  VAL   4          1HG1      VAL   4  11.754   0.139  -6.323
   25   HG12  VAL   4          2HG1      VAL   4  10.811  -1.329  -6.575
   26   HG13  VAL   4          3HG1      VAL   4  11.896  -0.750  -7.839
   27   HG21  VAL   4          3HG2      VAL   4  12.619  -3.037  -7.806
   28   HG22  VAL   4          1HG2      VAL   4  12.165  -3.685  -6.230
   29   HG23  VAL   4          2HG2      VAL   4  13.868  -3.511  -6.655
   30    H    LYS   5           HN       LYS   5  14.154   1.450  -7.093
   31    HA   LYS   5           HA       LYS   5  14.365   2.434  -4.325
   32    HB2  LYS   5           HB2      LYS   5  16.462   3.007  -5.106
   33    HB3  LYS   5           HB1      LYS   5  15.909   3.207  -6.763
   34    HG2  LYS   5           HG2      LYS   5  14.987   5.339  -6.290
   35    HG3  LYS   5           HG1      LYS   5  15.188   5.113  -4.552
   36    HD2  LYS   5           HD2      LYS   5  17.110   6.231  -4.789
   37    HD3  LYS   5           HD1      LYS   5  17.737   4.754  -5.522
   38    HE2  LYS   5           HE2      LYS   5  17.026   5.585  -7.733
   39    HE3  LYS   5           HE1      LYS   5  16.479   7.080  -6.973
   40    HZ1  LYS   5           HZ1      LYS   5  18.782   7.049  -8.029
   41    HZ2  LYS   5           HZ2      LYS   5  19.267   6.147  -6.683
   42    HZ3  LYS   5           HZ3      LYS   5  18.647   7.707  -6.477
   43    H    CYS   6           HN       CYS   6  12.901   3.943  -3.741
   44    HA   CYS   6           HA       CYS   6  11.048   4.883  -5.824
   45    HB2  CYS   6           HB2      CYS   6  10.625   3.720  -3.253
   46    HB3  CYS   6           HB1      CYS   6  10.002   5.366  -3.220
   47    H    ASP   7           HN       ASP   7  13.510   5.924  -3.764
   48    HA   ASP   7           HA       ASP   7  13.216   8.636  -4.571
   49    HB2  ASP   7           HB2      ASP   7  11.530   8.305  -2.626
   50    HB3  ASP   7           HB1      ASP   7  12.961   8.279  -1.598
   51    H    MET   8           HN       MET   8  14.838  10.057  -3.248
   52    HA   MET   8           HA       MET   8  17.361   8.642  -3.324
   53    HB2  MET   8           HB2      MET   8  16.551  11.241  -3.912
   54    HB3  MET   8           HB1      MET   8  17.507  11.408  -2.446
   55    HG2  MET   8           HG2      MET   8  19.272  10.009  -3.642
   56    HG3  MET   8           HG1      MET   8  18.347  10.325  -5.109
   57    HE1  MET   8           HE1      MET   8  17.788  13.550  -5.497
   58    HE2  MET   8           HE2      MET   8  18.258  12.091  -6.369
   59    HE3  MET   8           HE3      MET   8  19.330  13.493  -6.352
   60    H    GLU   9           HN       GLU   9  15.893   7.650  -1.246
   61    HA   GLU   9           HA       GLU   9  17.636   8.093   0.962
   62    HB2  GLU   9           HB2      GLU   9  15.524   9.878   0.837
   63    HB3  GLU   9           HB1      GLU   9  14.943   8.640   1.943
   64    HG2  GLU   9           HG2      GLU   9  17.500   9.086   2.826
   65    HG3  GLU   9           HG1      GLU   9  16.971  10.690   2.324
   66    H    VAL  10           HN       VAL  10  15.219   6.425  -0.691
   67    HA   VAL  10           HA       VAL  10  14.891   4.464   1.474
   68    HB   VAL  10           HB       VAL  10  13.324   3.935  -0.917
   69   HG11  VAL  10          1HG1      VAL  10  12.766   4.324   2.010
   70   HG12  VAL  10          2HG1      VAL  10  12.757   2.826   1.076
   71   HG13  VAL  10          3HG1      VAL  10  11.485   4.024   0.835
   72   HG21  VAL  10          3HG2      VAL  10  11.807   6.013   0.024
   73   HG22  VAL  10          1HG2      VAL  10  12.776   6.041  -1.449
   74   HG23  VAL  10          2HG2      VAL  10  13.434   6.689   0.052
   75    H    SER  11           HN       SER  11  14.808   2.147   0.761
   76    HA   SER  11           HA       SER  11  16.241   1.437  -1.635
   77    HG   SER  11           HG       SER  11  16.962   1.895   1.690
   78    HB2  SER  11           HB2      SER  11  18.012   0.172  -0.286
   79    HB3  SER  11           HB1      SER  11  18.193   1.923  -0.387
   80    H    CYS  12           HN       CYS  12  14.296   0.299  -1.989
   81    HA   CYS  12           HA       CYS  12  13.841  -2.029  -0.252
   82    HB2  CYS  12           HB2      CYS  12  12.051  -0.947  -2.437
   83    HB3  CYS  12           HB1      CYS  12  11.644  -2.191  -1.263
   84    HA   PRO  13           HA       PRO  13  16.002  -3.935  -3.795
   85    HB2  PRO  13           HB2      PRO  13  17.035  -6.013  -2.429
   86    HB3  PRO  13           HB1      PRO  13  17.748  -4.394  -2.367
   87    HG2  PRO  13           HG2      PRO  13  15.903  -5.721  -0.409
   88    HG3  PRO  13           HG1      PRO  13  17.388  -4.803  -0.097
   89    HD2  PRO  13           HD2      PRO  13  14.922  -3.712   0.152
   90    HD3  PRO  13           HD1      PRO  13  16.336  -2.769  -0.359
   91    H    ASP  14           HN       ASP  14  16.165  -6.623  -4.027
   92    HA   ASP  14           HA       ASP  14  13.722  -7.385  -5.052
   93    HB2  ASP  14           HB2      ASP  14  16.295  -8.552  -4.744
   94    HB3  ASP  14           HB1      ASP  14  15.105  -9.741  -4.221
   95    H    GLY  15           HN       GLY  15  11.899  -8.230  -4.282
   96    HA2  GLY  15           HA2      GLY  15  10.538  -9.491  -2.853
   97    HA3  GLY  15           HA1      GLY  15  11.867  -9.588  -1.707
   98    H    TYR  16           HN       TYR  16  11.831  -6.448  -2.466
   99    HA   TYR  16           HA       TYR  16   9.970  -5.806  -0.270
  100    HD1  TYR  16           HD2      TYR  16  13.744  -6.447  -0.794
  101    HD2  TYR  16           HD1      TYR  16  11.493  -4.528   2.263
  102    HE1  TYR  16           HE2      TYR  16  15.001  -7.698   0.906
  103    HE2  TYR  16           HE1      TYR  16  12.744  -5.770   3.973
  104    HH   TYR  16           HH       TYR  16  15.559  -7.622   3.213
  105    HB2  TYR  16           HB2      TYR  16  12.447  -4.339  -1.208
  106    HB3  TYR  16           HB1      TYR  16  11.349  -3.751   0.036
  107    H    THR  17           HN       THR  17   8.859  -3.777  -0.379
  108    HA   THR  17           HA       THR  17   8.437  -2.753  -3.106
  109    HB   THR  17           HB       THR  17   6.365  -3.606  -1.092
  110    HG1  THR  17           HG1      THR  17   6.662  -5.168  -2.579
  111   HG21  THR  17          3HG2      THR  17   6.022  -1.646  -3.358
  112   HG22  THR  17          1HG2      THR  17   5.656  -1.398  -1.651
  113   HG23  THR  17          2HG2      THR  17   4.680  -2.512  -2.609
  114    H    CYS  18           HN       CYS  18   8.014  -0.523  -3.241
  115    HA   CYS  18           HA       CYS  18   8.612   0.940  -0.767
  116    HB2  CYS  18           HB2      CYS  18   9.265   2.813  -2.218
  117    HB3  CYS  18           HB1      CYS  18  10.173   1.354  -2.598
  118    H    CYS  19           HN       CYS  19   6.859   1.581   0.262
  119    HA   CYS  19           HA       CYS  19   4.736   2.884  -1.297
  120    HB2  CYS  19           HB2      CYS  19   4.462   0.453   0.028
  121    HB3  CYS  19           HB1      CYS  19   3.753   1.627   1.133
  122    H    ARG  20           HN       ARG  20   4.111   4.806  -0.580
  123    HA   ARG  20           HA       ARG  20   5.545   6.250   1.289
  124    HE   ARG  20           HE       ARG  20   4.263  10.428  -0.963
  125    HB2  ARG  20           HB2      ARG  20   2.869   6.617   0.013
  126    HB3  ARG  20           HB1      ARG  20   3.386   7.730   1.271
  127    HG2  ARG  20           HG2      ARG  20   5.211   7.169  -1.012
  128    HG3  ARG  20           HG1      ARG  20   3.839   8.254  -1.246
  129    HD2  ARG  20           HD2      ARG  20   4.960   9.091   1.143
  130    HD3  ARG  20           HD1      ARG  20   6.353   8.697   0.137
  131   HH11  ARG  20          1HH1      ARG  20   7.505  10.027   0.248
  132   HH12  ARG  20          2HH1      ARG  20   8.069  11.536  -0.388
  133   HH21  ARG  20          1HH2      ARG  20   4.996  12.418  -1.807
  134   HH22  ARG  20          2HH2      ARG  20   6.643  12.895  -1.556
  135    H    LEU  21           HN       LEU  21   4.959   7.129   3.324
  136    HA   LEU  21           HA       LEU  21   2.954   5.668   4.876
  137    HG   LEU  21           HG       LEU  21   4.797   3.723   4.520
  138    HB2  LEU  21           HB2      LEU  21   5.893   5.852   5.455
  139    HB3  LEU  21           HB1      LEU  21   4.743   5.714   6.772
  140   HD11  LEU  21          1HD1      LEU  21   6.036   2.402   6.490
  141   HD12  LEU  21          2HD1      LEU  21   6.658   4.025   6.794
  142   HD13  LEU  21          3HD1      LEU  21   6.899   3.268   5.219
  143   HD21  LEU  21          3HD2      LEU  21   3.288   4.104   6.959
  144   HD22  LEU  21          1HD2      LEU  21   4.082   2.530   6.921
  145   HD23  LEU  21          2HD2      LEU  21   2.998   3.000   5.613
  146    H    GLN  22           HN       GLN  22   1.624   7.319   5.365
  147    HA   GLN  22           HA       GLN  22   0.848   9.255   6.271
  148    HB2  GLN  22           HB2      GLN  22   3.558   9.390   7.606
  149    HB3  GLN  22           HB1      GLN  22   2.138  10.324   8.057
  150    HG2  GLN  22           HG2      GLN  22   1.606   7.477   8.020
  151    HG3  GLN  22           HG1      GLN  22   2.924   7.899   9.112
  152   HE21  GLN  22          1HE2      GLN  22  -0.118   9.477   8.192
  153   HE22  GLN  22          2HE2      GLN  22  -0.702   9.677   9.806
  154    H    SER  23           HN       SER  23   2.618   9.112   3.810
  155    HA   SER  23           HA       SER  23   3.344  10.518   2.187
  156    HG   SER  23           HG       SER  23   2.246  11.573   1.048
  157    HB2  SER  23           HB2      SER  23   1.277  11.896   3.516
  158    HB3  SER  23           HB1      SER  23   2.563  13.072   3.243
  159    H    GLY  24           HN       GLY  24   4.672  10.391   5.103
  160    HA2  GLY  24           HA2      GLY  24   6.381  12.725   4.988
  161    HA3  GLY  24           HA1      GLY  24   6.476  11.417   6.159
  162    H    ALA  25           HN       ALA  25   6.500   9.404   3.995
  163    HA   ALA  25           HA       ALA  25   8.684   9.765   2.265
  164    HB1  ALA  25           HB1      ALA  25   9.818   9.816   4.563
  165    HB2  ALA  25           HB2      ALA  25  10.488   8.730   3.346
  166    HB3  ALA  25           HB3      ALA  25   9.466   8.089   4.633
  167    H    TRP  26           HN       TRP  26   9.728   7.202   2.127
  168    HA   TRP  26           HA       TRP  26   7.307   5.619   1.566
  169    HD1  TRP  26           HD1      TRP  26   9.905   8.066  -0.433
  170    HE1  TRP  26           HE1      TRP  26   8.611   9.233  -2.327
  171    HE3  TRP  26           HE3      TRP  26   6.508   4.391  -1.484
  172    HZ2  TRP  26           HZ2      TRP  26   6.441   8.670  -4.040
  173    HZ3  TRP  26           HZ3      TRP  26   4.859   4.784  -3.264
  174    HH2  TRP  26           HH2      TRP  26   4.826   6.882  -4.512
  175    HB2  TRP  26           HB2      TRP  26  10.020   5.421   0.246
  176    HB3  TRP  26           HB1      TRP  26   8.613   4.449  -0.151
  177    H    GLY  27           HN       GLY  27   7.586   3.248   1.701
  178    HA2  GLY  27           HA2      GLY  27   9.549   2.481   3.770
  179    HA3  GLY  27           HA1      GLY  27   7.858   2.022   3.915
  180    H    CYS  28           HN       CYS  28  10.079   0.228   3.860
  181    HA   CYS  28           HA       CYS  28   9.771  -1.081   1.247
  182    HB2  CYS  28           HB2      CYS  28  11.867  -1.405   3.395
  183    HB3  CYS  28           HB1      CYS  28  11.758  -2.441   1.977
  184    H    CYS  29           HN       CYS  29   8.164  -2.503   1.232
  185    HA   CYS  29           HA       CYS  29   7.691  -4.138   3.623
  186    HB2  CYS  29           HB2      CYS  29   5.943  -2.827   1.780
  187    HB3  CYS  29           HB1      CYS  29   5.675  -4.562   1.659
  188    HA   PRO  30           HA       PRO  30   9.573  -7.467   1.301
  189    HB2  PRO  30           HB2      PRO  30   9.426  -9.357   3.183
  190    HB3  PRO  30           HB1      PRO  30  10.513  -7.972   3.363
  191    HG2  PRO  30           HG2      PRO  30   7.763  -8.369   4.501
  192    HG3  PRO  30           HG1      PRO  30   9.242  -7.853   5.340
  193    HD2  PRO  30           HD2      PRO  30   7.376  -6.093   4.486
  194    HD3  PRO  30           HD1      PRO  30   9.108  -5.701   4.499
  195    H    PHE  31           HN       PHE  31   7.340  -7.171   0.084
  196    HA   PHE  31           HA       PHE  31   6.265  -9.802  -0.208
  197    HD1  PHE  31           HD2      PHE  31   5.523  -6.083   0.524
  198    HD2  PHE  31           HD1      PHE  31   2.038  -8.520   0.376
  199    HE1  PHE  31           HE2      PHE  31   4.149  -4.086   0.113
  200    HE2  PHE  31           HE1      PHE  31   0.657  -6.525  -0.032
  201    HZ   PHE  31           HZ       PHE  31   1.713  -4.305  -0.164
  202    HB2  PHE  31           HB2      PHE  31   4.092  -9.527   0.559
  203    HB3  PHE  31           HB1      PHE  31   5.019  -8.645   1.766
  204    H    THR  32           HN       THR  32   4.373  -9.728  -1.877
  205    HA   THR  32           HA       THR  32   5.349  -8.189  -4.119
  206    HB   THR  32           HB       THR  32   4.647 -10.544  -4.407
  207    HG1  THR  32           HG1      THR  32   4.385  -9.789  -6.365
  208   HG21  THR  32          3HG2      THR  32   2.163 -10.966  -4.552
  209   HG22  THR  32          1HG2      THR  32   1.932  -9.430  -3.718
  210   HG23  THR  32          2HG2      THR  32   2.798 -10.744  -2.922
  211    H    GLN  33           HN       GLN  33   3.906  -6.927  -5.508
  212    HA   GLN  33           HA       GLN  33   2.479  -5.191  -5.865
  213    HB2  GLN  33           HB2      GLN  33   0.956  -7.215  -4.603
  214    HB3  GLN  33           HB1      GLN  33   0.473  -5.690  -3.874
  215    HG2  GLN  33           HG2      GLN  33  -0.083  -4.779  -6.029
  216    HG3  GLN  33           HG1      GLN  33   0.534  -6.221  -6.835
  217   HE21  GLN  33          1HE2      GLN  33  -2.204  -4.766  -6.294
  218   HE22  GLN  33          2HE2      GLN  33  -3.267  -6.099  -6.012
  219    H    ALA  34           HN       ALA  34   0.893  -3.644  -4.276
  220    HA   ALA  34           HA       ALA  34   2.703  -2.714  -2.144
  221    HB1  ALA  34           HB1      ALA  34   3.077  -1.057  -3.677
  222    HB2  ALA  34           HB2      ALA  34   1.679  -0.388  -2.835
  223    HB3  ALA  34           HB3      ALA  34   1.469  -1.198  -4.387
  224    H    VAL  35           HN       VAL  35   1.428  -0.937  -0.806
  225    HA   VAL  35           HA       VAL  35  -1.356  -1.720  -0.403
  226    HB   VAL  35           HB       VAL  35   0.818  -2.031   1.652
  227   HG11  VAL  35          1HG1      VAL  35  -2.079  -1.419   2.119
  228   HG12  VAL  35          2HG1      VAL  35  -0.656  -0.730   2.899
  229   HG13  VAL  35          3HG1      VAL  35  -1.154  -2.380   3.271
  230   HG21  VAL  35          3HG2      VAL  35  -1.360  -3.933   1.670
  231   HG22  VAL  35          1HG2      VAL  35   0.372  -4.205   1.471
  232   HG23  VAL  35          2HG2      VAL  35  -0.625  -3.807   0.072
  233    H    CYS  36           HN       CYS  36   1.119   0.174   1.327
  234    HA   CYS  36           HA       CYS  36   1.207   2.340   1.991
  235    HB2  CYS  36           HB2      CYS  36  -0.525   2.559  -0.449
  236    HB3  CYS  36           HB1      CYS  36  -0.228   3.973   0.556
  237    H    CYS  37           HN       CYS  37   0.346   2.166   4.011
  238    HA   CYS  37           HA       CYS  37  -2.536   2.732   4.272
  239    HB2  CYS  37           HB2      CYS  37  -0.689   1.085   5.994
  240    HB3  CYS  37           HB1      CYS  37  -2.225   1.691   6.600
  241    H    GLU  38           HN       GLU  38  -2.003   3.081   7.235
  242    HA   GLU  38           HA       GLU  38  -0.539   5.619   7.197
  243    HB2  GLU  38           HB2      GLU  38  -3.326   5.246   8.304
  244    HB3  GLU  38           HB1      GLU  38  -2.334   6.676   8.554
  245    HG2  GLU  38           HG2      GLU  38  -2.285   6.472   5.853
  246    HG3  GLU  38           HG1      GLU  38  -3.889   5.838   6.217
  247    H    ASP  39           HN       ASP  39  -0.128   6.453   9.419
  248    HA   ASP  39           HA       ASP  39   0.754   6.218  11.495
  249    HB2  ASP  39           HB2      ASP  39  -1.628   5.323  11.873
  250    HB3  ASP  39           HB1      ASP  39  -0.892   3.723  11.854
  251    H    HIS  40           HN       HIS  40   2.053   4.739  12.924
  252    HA   HIS  40           HA       HIS  40   4.014   3.411  11.355
  253    HD1  HIS  40           HD1      HIS  40   6.738   4.622  14.141
  254    HD2  HIS  40           HD2      HIS  40   5.466   0.940  12.692
  255    HE1  HIS  40           HE1      HIS  40   8.823   3.241  13.889
  256    HE2  HIS  40           HE2      HIS  40   8.016   0.984  13.114
  257    HB2  HIS  40           HB2      HIS  40   4.310   4.615  13.614
  258    HB3  HIS  40           HB1      HIS  40   3.729   3.121  14.342
  259    H    ILE  41           HN       ILE  41   3.339   1.620  10.301
  260    HA   ILE  41           HA       ILE  41   3.041  -0.797  11.741
  261    HB   ILE  41           HB       ILE  41   0.724   0.336  11.929
  262   HG12  ILE  41          2HG1      ILE  41  -0.188  -2.118  11.027
  263   HG13  ILE  41          1HG1      ILE  41   1.503  -2.429  11.407
  264   HG21  ILE  41          1HG2      ILE  41   0.133  -0.866   9.279
  265   HG22  ILE  41          2HG2      ILE  41   0.865   0.737   9.324
  266   HG23  ILE  41          3HG2      ILE  41  -0.675   0.448  10.134
  267   HD11  ILE  41          3HD1      ILE  41   0.703  -1.025  13.591
  268   HD12  ILE  41          1HD1      ILE  41   0.742  -2.784  13.474
  269   HD13  ILE  41          2HD1      ILE  41  -0.762  -1.914  13.176
  270    H    HIS  42           HN       HIS  42   2.794  -2.664  10.305
  271    HA   HIS  42           HA       HIS  42   4.136  -2.184   7.796
  272    HD1  HIS  42           HD1      HIS  42   3.300  -4.206  11.296
  273    HD2  HIS  42           HD2      HIS  42   2.135  -6.481   8.020
  274    HE1  HIS  42           HE1      HIS  42   1.678  -5.904  12.198
  275    HE2  HIS  42           HE2      HIS  42   0.974  -7.261  10.195
  276    HB2  HIS  42           HB2      HIS  42   4.142  -4.677   7.629
  277    HB3  HIS  42           HB1      HIS  42   4.877  -4.062   9.107
  278    H    CYS  43           HN       CYS  43   3.365  -3.518   5.846
  279    HA   CYS  43           HA       CYS  43   0.878  -2.513   5.006
  280    HB2  CYS  43           HB2      CYS  43   2.385  -4.835   3.792
  281    HB3  CYS  43           HB1      CYS  43   1.219  -3.790   2.986
  282    H    CYS  44           HN       CYS  44  -0.732  -4.169   3.895
  283    HA   CYS  44           HA       CYS  44  -2.164  -5.417   5.932
  284    HB2  CYS  44           HB2      CYS  44  -2.352  -6.258   3.044
  285    HB3  CYS  44           HB1      CYS  44  -3.629  -6.218   4.255
  286    HA   PRO  45           HA       PRO  45  -0.002  -9.256   6.419
  287    HB2  PRO  45           HB2      PRO  45  -2.361 -10.417   7.643
  288    HB3  PRO  45           HB1      PRO  45  -0.859  -9.900   8.409
  289    HG2  PRO  45           HG2      PRO  45  -3.246  -8.633   8.777
  290    HG3  PRO  45           HG1      PRO  45  -1.676  -7.822   8.908
  291    HD2  PRO  45           HD2      PRO  45  -3.627  -7.821   6.637
  292    HD3  PRO  45           HD1      PRO  45  -2.648  -6.487   7.284
  293    H    ALA  46           HN       ALA  46  -1.556  -8.805   3.923
  294    HA   ALA  46           HA       ALA  46  -2.154  -9.989   2.083
  295    HB1  ALA  46           HB1      ALA  46  -0.229 -11.406   2.667
  296    HB2  ALA  46           HB2      ALA  46  -1.529 -12.317   1.898
  297    HB3  ALA  46           HB3      ALA  46  -1.292 -12.421   3.643
  298    H    GLY  47           HN       GLY  47  -4.155 -10.332   1.415
  299    HA2  GLY  47           HA2      GLY  47  -6.112 -11.776   1.399
  300    HA3  GLY  47           HA1      GLY  47  -5.967 -11.891   3.146
  301    H    PHE  48           HN       PHE  48  -5.313  -8.883   3.058
  302    HA   PHE  48           HA       PHE  48  -8.100  -7.964   2.801
  303    HD1  PHE  48           HD1      PHE  48  -5.015  -8.761   5.567
  304    HD2  PHE  48           HD2      PHE  48  -9.255  -8.395   5.611
  305    HE1  PHE  48           HE1      PHE  48  -5.154 -10.662   7.121
  306    HE2  PHE  48           HE2      PHE  48  -9.404 -10.295   7.172
  307    HZ   PHE  48           HZ       PHE  48  -7.352 -11.430   7.929
  308    HB2  PHE  48           HB2      PHE  48  -6.111  -6.776   4.722
  309    HB3  PHE  48           HB1      PHE  48  -7.867  -6.634   4.733
  310    H    THR  49           HN       THR  49  -8.210  -5.502   2.625
  311    HA   THR  49           HA       THR  49  -6.031  -4.528   0.900
  312    HB   THR  49           HB       THR  49  -7.582  -3.469  -0.578
  313    HG1  THR  49           HG1      THR  49  -9.203  -2.861   0.874
  314   HG21  THR  49          3HG2      THR  49  -8.590  -6.259  -0.007
  315   HG22  THR  49          1HG2      THR  49  -7.172  -5.865  -0.980
  316   HG23  THR  49          2HG2      THR  49  -8.776  -5.368  -1.517
  317    H    CYS  50           HN       CYS  50  -5.319  -2.518   1.249
  318    HA   CYS  50           HA       CYS  50  -6.276  -1.087   3.592
  319    HB2  CYS  50           HB2      CYS  50  -3.814  -1.441   2.935
  320    HB3  CYS  50           HB1      CYS  50  -4.086  -0.210   1.708
  321    H    ASP  51           HN       ASP  51  -8.100  -0.047   3.262
  322    HA   ASP  51           HA       ASP  51  -8.638   1.342   0.792
  323    HB2  ASP  51           HB2      ASP  51 -10.656   0.609   1.555
  324    HB3  ASP  51           HB1      ASP  51 -10.132   0.601   3.235
  325    H    THR  52           HN       THR  52  -8.052   3.339   0.393
  326    HA   THR  52           HA       THR  52  -6.449   4.888   2.021
  327    HB   THR  52           HB       THR  52  -6.841   6.731   0.463
  328    HG1  THR  52           HG1      THR  52  -8.793   6.838  -0.347
  329   HG21  THR  52          3HG2      THR  52  -6.380   5.446  -1.687
  330   HG22  THR  52          1HG2      THR  52  -6.554   3.980  -0.723
  331   HG23  THR  52          2HG2      THR  52  -5.286   5.143  -0.337
  332    H    GLN  53           HN       GLN  53  -9.932   4.744   1.886
  333    HA   GLN  53           HA       GLN  53 -10.644   7.178   2.972
  334    HB2  GLN  53           HB2      GLN  53 -12.091   5.105   2.247
  335    HB3  GLN  53           HB1      GLN  53 -12.009   4.707   3.958
  336    HG2  GLN  53           HG2      GLN  53 -12.842   7.076   4.379
  337    HG3  GLN  53           HG1      GLN  53 -13.229   7.116   2.659
  338   HE21  GLN  53          1HE2      GLN  53 -14.122   4.571   2.234
  339   HE22  GLN  53          2HE2      GLN  53 -15.574   4.301   3.128
  340    H    LYS  54           HN       LYS  54  -9.089   4.446   4.502
  341    HA   LYS  54           HA       LYS  54  -8.621   6.094   6.850
  342    HB2  LYS  54           HB2      LYS  54 -10.593   3.954   6.833
  343    HB3  LYS  54           HB1      LYS  54  -9.343   3.692   8.041
  344    HG2  LYS  54           HG2      LYS  54 -11.016   6.182   7.774
  345    HG3  LYS  54           HG1      LYS  54 -11.269   4.891   8.951
  346    HD2  LYS  54           HD2      LYS  54  -8.538   5.894   8.960
  347    HD3  LYS  54           HD1      LYS  54  -9.723   7.154   9.310
  348    HE2  LYS  54           HE2      LYS  54  -9.911   4.510  10.688
  349    HE3  LYS  54           HE1      LYS  54  -8.738   5.704  11.242
  350    HZ1  LYS  54           HZ1      LYS  54 -10.635   7.298  11.388
  351    HZ2  LYS  54           HZ2      LYS  54 -10.708   6.016  12.489
  352    HZ3  LYS  54           HZ3      LYS  54 -11.685   6.001  11.108
  353    H    GLY  55           HN       GLY  55  -7.260   4.539   4.582
  354    HA2  GLY  55           HA2      GLY  55  -5.438   3.145   4.291
  355    HA3  GLY  55           HA1      GLY  55  -4.824   4.033   5.681
  356    H    THR  56           HN       THR  56  -7.481   1.696   5.372
  357    HA   THR  56           HA       THR  56  -6.083   0.037   7.386
  358    HB   THR  56           HB       THR  56  -7.971   1.080   8.448
  359    HG1  THR  56           HG1      THR  56  -9.247  -0.927   8.837
  360   HG21  THR  56          3HG2      THR  56  -9.156   1.129   6.015
  361   HG22  THR  56          1HG2      THR  56 -10.018   1.371   7.534
  362   HG23  THR  56          2HG2      THR  56 -10.014  -0.216   6.765
  363    H    CYS  57           HN       CYS  57  -5.973  -2.121   7.102
  364    HA   CYS  57           HA       CYS  57  -6.890  -3.166   4.530
  365    HB2  CYS  57           HB2      CYS  57  -5.062  -4.473   6.553
  366    HB3  CYS  57           HB1      CYS  57  -5.346  -4.995   4.896
  367    H    GLU  58           HN       GLU  58  -8.794  -4.159   4.483
  368    HA   GLU  58           HA       GLU  58  -9.503  -5.937   6.712
  369    HB2  GLU  58           HB2      GLU  58 -11.570  -4.198   5.384
  370    HB3  GLU  58           HB1      GLU  58 -11.710  -5.110   6.880
  371    HG2  GLU  58           HG2      GLU  58  -9.578  -3.252   7.160
  372    HG3  GLU  58           HG1      GLU  58 -10.987  -2.404   6.524
  373    H    GLN  59           HN       GLN  59 -11.532  -7.269   6.062
  374    HA   GLN  59           HA       GLN  59 -10.851  -8.824   3.821
  375    HB2  GLN  59           HB2      GLN  59 -12.572  -9.080   5.986
  376    HB3  GLN  59           HB1      GLN  59 -13.650  -9.055   4.596
  377    HG2  GLN  59           HG2      GLN  59 -11.598 -10.769   3.851
  378    HG3  GLN  59           HG1      GLN  59 -11.906 -11.148   5.546
  379   HE21  GLN  59          1HE2      GLN  59 -14.281 -11.354   6.090
  380   HE22  GLN  59          2HE2      GLN  59 -15.258 -12.229   4.964
  381    H    LYS  60           HN       LYS  60 -10.690  -7.346   2.087
  382    HA   LYS  60           HA       LYS  60 -11.394  -6.259   0.226
  383    HB2  LYS  60           HB2      LYS  60 -13.012  -8.498   0.513
  384    HB3  LYS  60           HB1      LYS  60 -14.153  -7.192   0.225
  385    HG2  LYS  60           HG2      LYS  60 -13.161  -6.660  -1.855
  386    HG3  LYS  60           HG1      LYS  60 -11.766  -7.690  -1.530
  387    HD2  LYS  60           HD2      LYS  60 -14.216  -9.195  -1.330
  388    HD3  LYS  60           HD1      LYS  60 -14.108  -8.383  -2.893
  389    HE2  LYS  60           HE2      LYS  60 -11.719  -9.824  -1.845
  390    HE3  LYS  60           HE1      LYS  60 -13.051 -10.763  -2.519
  391    HZ1  LYS  60           HZ1      LYS  60 -11.083  -9.171  -3.860
  392    HZ2  LYS  60           HZ2      LYS  60 -12.656  -8.791  -4.349
  393    HZ3  LYS  60           HZ3      LYS  60 -12.092 -10.381  -4.474
  394    H    LEU  61           HN       LEU  61 -13.878  -5.243  -0.537
  395    HA   LEU  61           HA       LEU  61 -15.196  -3.407  -0.318
  396    HG   LEU  61           HG       LEU  61 -17.213  -4.264   0.392
  397    HB2  LEU  61           HB2      LEU  61 -15.378  -4.829   2.151
  398    HB3  LEU  61           HB1      LEU  61 -15.414  -3.110   2.495
  399   HD11  LEU  61          1HD1      LEU  61 -17.639  -5.644   2.310
  400   HD12  LEU  61          2HD1      LEU  61 -18.952  -4.478   2.146
  401   HD13  LEU  61          3HD1      LEU  61 -17.702  -4.232   3.365
  402   HD21  LEU  61          3HD2      LEU  61 -16.990  -1.839   0.539
  403   HD22  LEU  61          1HD2      LEU  61 -17.430  -1.894   2.245
  404   HD23  LEU  61          2HD2      LEU  61 -18.607  -2.356   1.016
  405    H    ALA  62           HN       ALA  62 -13.035  -2.387  -0.987
  406    HA   ALA  62           HA       ALA  62 -11.847  -0.709   1.079
  407    HB1  ALA  62           HB1      ALA  62 -10.032  -0.549  -0.250
  408    HB2  ALA  62           HB2      ALA  62 -10.990  -0.372  -1.719
  409    HB3  ALA  62           HB3      ALA  62 -10.728  -1.971  -1.027
  410    H    ALA  63           HN       ALA  63 -13.534  -0.353  -2.021
  411    HA   ALA  63           HA       ALA  63 -14.799   1.305  -2.903
  412    HB1  ALA  63           HB1      ALA  63 -15.032   2.735  -0.309
  413    HB2  ALA  63           HB2      ALA  63 -15.710   1.111  -0.439
  414    HB3  ALA  63           HB3      ALA  63 -16.260   2.386  -1.527
  415    H    ALA  64           HN       ALA  64 -13.817   3.602  -0.489
  416    HA   ALA  64           HA       ALA  64 -13.091   5.639  -2.093
  417    HB1  ALA  64           HB1      ALA  64 -11.608   6.437  -0.255
  418    HB2  ALA  64           HB2      ALA  64 -11.853   4.883   0.542
  419    HB3  ALA  64           HB3      ALA  64 -13.224   5.958   0.262
  420    H    LEU  65           HN       LEU  65 -10.941   2.998  -1.119
  421    HA   LEU  65           HA       LEU  65  -8.482   3.722  -1.857
  422    HG   LEU  65           HG       LEU  65  -7.321   1.682  -0.916
  423    HB2  LEU  65           HB2      LEU  65  -9.671   1.331  -1.432
  424    HB3  LEU  65           HB1      LEU  65  -9.303   1.193  -3.140
  425   HD11  LEU  65          1HD1      LEU  65  -7.755  -0.679  -2.740
  426   HD12  LEU  65          2HD1      LEU  65  -8.131  -0.608  -1.018
  427   HD13  LEU  65          3HD1      LEU  65  -6.455  -0.515  -1.560
  428   HD21  LEU  65          3HD2      LEU  65  -6.603   2.899  -2.865
  429   HD22  LEU  65          1HD2      LEU  65  -6.910   1.504  -3.898
  430   HD23  LEU  65          2HD2      LEU  65  -5.616   1.447  -2.702
  431    H    GLU  66           HN       GLU  66  -7.775   4.929  -3.470
  432    HA   GLU  66           HA       GLU  66  -7.420   5.803  -5.537
  433    HB2  GLU  66           HB2      GLU  66  -7.700   2.892  -5.944
  434    HB3  GLU  66           HB1      GLU  66  -7.850   3.877  -7.393
  435    HG2  GLU  66           HG2      GLU  66  -5.558   4.319  -5.538
  436    HG3  GLU  66           HG1      GLU  66  -5.532   2.958  -6.658
  437    H    HIS  67           HN       HIS  67  -9.800   6.609  -4.672
  438    HA   HIS  67           HA       HIS  67 -11.899   7.310  -5.241
  439    HD1  HIS  67           HD1      HIS  67  -9.238   9.847  -7.277
  440    HD2  HIS  67           HD2      HIS  67 -13.152   9.603  -5.902
  441    HE1  HIS  67           HE1      HIS  67  -9.782  12.135  -6.388
  442    HE2  HIS  67           HE2      HIS  67 -12.181  11.985  -5.633
  443    HB2  HIS  67           HB2      HIS  67 -10.178   7.602  -7.616
  444    HB3  HIS  67           HB1      HIS  67 -11.907   7.662  -7.943
  445    H    HIS  68           HN       HIS  68 -12.903   5.289  -4.678
  446    HA   HIS  68           HA       HIS  68 -14.278   3.513  -5.036
  447    HD1  HIS  68           HD1      HIS  68 -16.041   3.732  -4.270
  448    HD2  HIS  68           HD2      HIS  68 -17.684   3.801  -8.086
  449    HE1  HIS  68           HE1      HIS  68 -18.412   2.942  -3.996
  450    HE2  HIS  68           HE2      HIS  68 -19.361   2.914  -6.329
  451    HB2  HIS  68           HB2      HIS  68 -15.074   5.509  -6.771
  452    HB3  HIS  68           HB1      HIS  68 -14.922   4.108  -7.826
  453    H    HIS  69           HN       HIS  69 -14.869   1.884  -7.101
  454    HA   HIS  69           HA       HIS  69 -12.303   1.011  -8.228
  455    HD1  HIS  69           HD1      HIS  69 -10.815  -0.032  -8.363
  456    HD2  HIS  69           HD2      HIS  69 -12.463  -3.318  -6.426
  457    HE1  HIS  69           HE1      HIS  69  -9.075  -1.841  -8.510
  458    HE2  HIS  69           HE2      HIS  69 -10.071  -3.804  -7.283
  459    HB2  HIS  69           HB2      HIS  69 -13.254  -0.214  -6.037
  460    HB3  HIS  69           HB1      HIS  69 -14.142  -1.112  -7.262
  461    H    HIS  70           HN       HIS  70 -15.424   1.873  -8.750
  462    HA   HIS  70           HA       HIS  70 -15.979  -0.007 -10.897
  463    HD1  HIS  70           HD1      HIS  70 -16.998  -1.360  -9.782
  464    HD2  HIS  70           HD2      HIS  70 -19.732   1.381  -8.274
  465    HE1  HIS  70           HE1      HIS  70 -18.396  -2.645  -8.133
  466    HE2  HIS  70           HE2      HIS  70 -19.984  -0.943  -7.167
  467    HB2  HIS  70           HB2      HIS  70 -17.522   2.321  -9.753
  468    HB3  HIS  70           HB1      HIS  70 -18.065   1.411 -11.160
  469    H    HIS  71           HN       HIS  71 -14.769   3.209 -10.437
  470    HA   HIS  71           HA       HIS  71 -14.002   4.809 -11.856
  471    HD1  HIS  71           HD1      HIS  71 -11.705   5.286 -11.942
  472    HD2  HIS  71           HD2      HIS  71 -12.126   3.979 -15.863
  473    HE1  HIS  71           HE1      HIS  71 -10.145   6.718 -13.301
  474    HE2  HIS  71           HE2      HIS  71 -10.423   5.914 -15.672
  475    HB2  HIS  71           HB2      HIS  71 -12.730   2.609 -12.551
  476    HB3  HIS  71           HB1      HIS  71 -13.680   2.771 -14.023
  477    H    HIS  72           HN       HIS  72 -16.481   5.250 -11.788
  478    HA   HIS  72           HA       HIS  72 -17.928   4.808 -14.218
  479    HD1  HIS  72           HD1      HIS  72 -20.969   5.121 -11.020
  480    HD2  HIS  72           HD2      HIS  72 -19.987   4.605 -15.024
  481    HE1  HIS  72           HE1      HIS  72 -22.856   3.786 -12.009
  482    HE2  HIS  72           HE2      HIS  72 -22.209   3.430 -14.418
  483    HB2  HIS  72           HB2      HIS  72 -18.522   5.719 -11.592
  484    HB3  HIS  72           HB1      HIS  72 -19.041   6.972 -12.715
  Start of MODEL    7
    1    HA   ALA   1           HA       ALA   1  23.383   1.151  -5.665
    2    H1   ALA   1           HT1      ALA   1  23.138   0.294  -2.879
    3    H2   ALA   1           HT2      ALA   1  21.803   1.010  -3.630
    4    H3   ALA   1           HT3      ALA   1  23.265   1.854  -3.523
    5    HB1  ALA   1           HB1      ALA   1  24.602  -1.277  -5.375
    6    HB2  ALA   1           HB2      ALA   1  24.790  -0.572  -3.769
    7    HB3  ALA   1           HB3      ALA   1  25.392   0.289  -5.185
    8    H    MET   2           HN       MET   2  22.160   0.349  -7.238
    9    HA   MET   2           HA       MET   2  20.562  -0.841  -8.335
   10    HB2  MET   2           HB2      MET   2  22.447  -2.622  -7.536
   11    HB3  MET   2           HB1      MET   2  21.017  -3.311  -6.779
   12    HG2  MET   2           HG2      MET   2  20.038  -2.868  -9.225
   13    HG3  MET   2           HG1      MET   2  21.740  -3.089  -9.631
   14    HE1  MET   2           HE1      MET   2  20.120  -4.593 -11.023
   15    HE2  MET   2           HE2      MET   2  19.522  -6.170 -10.506
   16    HE3  MET   2           HE3      MET   2  21.217  -5.972 -10.950
   17    H    ASP   3           HN       ASP   3  19.176  -3.208  -7.131
   18    HA   ASP   3           HA       ASP   3  17.266  -3.676  -6.000
   19    HB2  ASP   3           HB2      ASP   3  17.984  -1.430  -4.114
   20    HB3  ASP   3           HB1      ASP   3  16.997  -2.849  -3.777
   21    H    VAL   4           HN       VAL   4  15.194  -2.543  -5.053
   22    HA   VAL   4           HA       VAL   4  14.334  -0.673  -7.114
   23    HB   VAL   4           HB       VAL   4  12.579  -1.825  -4.957
   24   HG11  VAL   4          1HG1      VAL   4  10.851  -1.581  -6.720
   25   HG12  VAL   4          2HG1      VAL   4  12.064  -0.828  -7.757
   26   HG13  VAL   4          3HG1      VAL   4  11.590  -0.050  -6.248
   27   HG21  VAL   4          3HG2      VAL   4  13.962  -3.568  -6.253
   28   HG22  VAL   4          1HG2      VAL   4  12.947  -3.136  -7.630
   29   HG23  VAL   4          2HG2      VAL   4  12.214  -3.787  -6.164
   30    H    LYS   5           HN       LYS   5  15.359   1.232  -6.417
   31    HA   LYS   5           HA       LYS   5  14.629   2.295  -3.798
   32    HB2  LYS   5           HB2      LYS   5  16.705   2.910  -5.830
   33    HB3  LYS   5           HB1      LYS   5  16.124   4.255  -4.857
   34    HG2  LYS   5           HG2      LYS   5  16.775   3.149  -2.833
   35    HG3  LYS   5           HG1      LYS   5  17.195   1.683  -3.721
   36    HD2  LYS   5           HD2      LYS   5  19.191   2.501  -4.361
   37    HD3  LYS   5           HD1      LYS   5  18.538   4.109  -4.675
   38    HE2  LYS   5           HE2      LYS   5  19.676   4.729  -2.851
   39    HE3  LYS   5           HE1      LYS   5  18.382   3.943  -1.951
   40    HZ1  LYS   5           HZ1      LYS   5  20.748   2.427  -2.862
   41    HZ2  LYS   5           HZ2      LYS   5  19.660   2.045  -1.625
   42    HZ3  LYS   5           HZ3      LYS   5  20.774   3.299  -1.412
   43    H    CYS   6           HN       CYS   6  12.689   3.228  -3.710
   44    HA   CYS   6           HA       CYS   6  11.427   4.410  -5.986
   45    HB2  CYS   6           HB2      CYS   6  10.657   3.592  -3.354
   46    HB3  CYS   6           HB1      CYS   6  10.131   5.252  -3.603
   47    H    ASP   7           HN       ASP   7  13.605   5.538  -3.612
   48    HA   ASP   7           HA       ASP   7  13.538   8.194  -4.747
   49    HB2  ASP   7           HB2      ASP   7  13.379   9.238  -2.422
   50    HB3  ASP   7           HB1      ASP   7  11.885   8.602  -3.104
   51    H    MET   8           HN       MET   8  15.047   9.511  -2.817
   52    HA   MET   8           HA       MET   8  17.572   8.021  -2.997
   53    HB2  MET   8           HB2      MET   8  18.647  10.255  -2.719
   54    HB3  MET   8           HB1      MET   8  17.652  10.122  -4.162
   55    HG2  MET   8           HG2      MET   8  15.939  11.437  -3.227
   56    HG3  MET   8           HG1      MET   8  16.627  11.318  -1.609
   57    HE1  MET   8           HE1      MET   8  18.626  14.268  -1.173
   58    HE2  MET   8           HE2      MET   8  19.398  12.683  -1.218
   59    HE3  MET   8           HE3      MET   8  17.769  12.853  -0.564
   60    H    GLU   9           HN       GLU   9  15.826   7.324  -0.939
   61    HA   GLU   9           HA       GLU   9  17.516   7.787   1.345
   62    HB2  GLU   9           HB2      GLU   9  15.888   9.754   1.245
   63    HB3  GLU   9           HB1      GLU   9  14.625   8.590   1.618
   64    HG2  GLU   9           HG2      GLU   9  15.587   8.094   3.728
   65    HG3  GLU   9           HG1      GLU   9  17.054   8.994   3.341
   66    H    VAL  10           HN       VAL  10  14.735   6.320  -0.147
   67    HA   VAL  10           HA       VAL  10  14.643   4.251   1.935
   68    HB   VAL  10           HB       VAL  10  12.684   4.786  -0.305
   69   HG11  VAL  10          1HG1      VAL  10  12.718   2.447   0.422
   70   HG12  VAL  10          2HG1      VAL  10  11.213   3.248   0.871
   71   HG13  VAL  10          3HG1      VAL  10  12.458   2.965   2.088
   72   HG21  VAL  10          3HG2      VAL  10  13.075   6.299   1.954
   73   HG22  VAL  10          1HG2      VAL  10  11.785   5.198   2.437
   74   HG23  VAL  10          2HG2      VAL  10  11.585   6.219   1.013
   75    H    SER  11           HN       SER  11  15.268   2.198   1.535
   76    HA   SER  11           HA       SER  11  15.971   1.499  -1.243
   77    HG   SER  11           HG       SER  11  17.515  -0.343  -1.205
   78    HB2  SER  11           HB2      SER  11  18.029   1.835  -0.065
   79    HB3  SER  11           HB1      SER  11  17.469   0.875   1.303
   80    H    CYS  12           HN       CYS  12  14.226   0.291  -1.760
   81    HA   CYS  12           HA       CYS  12  13.593  -2.015  -0.044
   82    HB2  CYS  12           HB2      CYS  12  11.931  -0.949  -2.330
   83    HB3  CYS  12           HB1      CYS  12  11.442  -2.108  -1.104
   84    HA   PRO  13           HA       PRO  13  15.864  -3.917  -3.513
   85    HB2  PRO  13           HB2      PRO  13  16.924  -5.954  -2.131
   86    HB3  PRO  13           HB1      PRO  13  17.573  -4.310  -2.017
   87    HG2  PRO  13           HG2      PRO  13  15.704  -5.734  -0.152
   88    HG3  PRO  13           HG1      PRO  13  17.147  -4.777   0.232
   89    HD2  PRO  13           HD2      PRO  13  14.626  -3.771   0.388
   90    HD3  PRO  13           HD1      PRO  13  16.039  -2.774  -0.012
   91    H    ASP  14           HN       ASP  14  16.096  -6.690  -3.534
   92    HA   ASP  14           HA       ASP  14  13.731  -7.494  -4.723
   93    HB2  ASP  14           HB2      ASP  14  14.624  -9.761  -4.668
   94    HB3  ASP  14           HB1      ASP  14  15.901  -8.614  -5.065
   95    H    GLY  15           HN       GLY  15  11.858  -8.333  -4.064
   96    HA2  GLY  15           HA2      GLY  15  10.374  -9.485  -2.671
   97    HA3  GLY  15           HA1      GLY  15  11.617  -9.538  -1.430
   98    H    TYR  16           HN       TYR  16  11.873  -6.488  -2.090
   99    HA   TYR  16           HA       TYR  16   9.809  -5.706  -0.156
  100    HD1  TYR  16           HD1      TYR  16  13.531  -6.496  -0.466
  101    HD2  TYR  16           HD2      TYR  16  11.308  -4.348   2.455
  102    HE1  TYR  16           HE1      TYR  16  14.697  -7.725   1.313
  103    HE2  TYR  16           HE2      TYR  16  12.467  -5.567   4.244
  104    HH   TYR  16           HH       TYR  16  14.823  -8.117   3.506
  105    HB2  TYR  16           HB2      TYR  16  12.356  -4.295  -0.966
  106    HB3  TYR  16           HB1      TYR  16  11.195  -3.690   0.210
  107    H    THR  17           HN       THR  17   8.639  -3.778  -0.419
  108    HA   THR  17           HA       THR  17   8.529  -2.720  -3.167
  109    HB   THR  17           HB       THR  17   6.602  -4.172  -2.927
  110    HG1  THR  17           HG1      THR  17   6.417  -1.488  -3.265
  111   HG21  THR  17          3HG2      THR  17   4.858  -3.460  -1.160
  112   HG22  THR  17          1HG2      THR  17   6.221  -2.686  -0.350
  113   HG23  THR  17          2HG2      THR  17   6.238  -4.426  -0.637
  114    H    CYS  18           HN       CYS  18   7.934  -0.500  -3.335
  115    HA   CYS  18           HA       CYS  18   8.355   0.963  -0.824
  116    HB2  CYS  18           HB2      CYS  18   8.884   2.906  -2.342
  117    HB3  CYS  18           HB1      CYS  18  10.007   1.555  -2.430
  118    H    CYS  19           HN       CYS  19   6.608   1.691   0.127
  119    HA   CYS  19           HA       CYS  19   4.494   2.914  -1.514
  120    HB2  CYS  19           HB2      CYS  19   3.832   1.292   0.935
  121    HB3  CYS  19           HB1      CYS  19   2.751   1.841  -0.341
  122    H    ARG  20           HN       ARG  20   3.845   4.855  -0.798
  123    HA   ARG  20           HA       ARG  20   5.228   6.256   1.153
  124    HE   ARG  20           HE       ARG  20   3.833  10.623   0.485
  125    HB2  ARG  20           HB2      ARG  20   2.613   6.670  -0.231
  126    HB3  ARG  20           HB1      ARG  20   3.051   7.733   1.100
  127    HG2  ARG  20           HG2      ARG  20   4.965   7.268  -1.145
  128    HG3  ARG  20           HG1      ARG  20   3.633   8.411  -1.330
  129    HD2  ARG  20           HD2      ARG  20   5.051   8.751   1.182
  130    HD3  ARG  20           HD1      ARG  20   6.109   8.934  -0.216
  131   HH11  ARG  20          1HH1      ARG  20   6.404   9.851  -1.738
  132   HH12  ARG  20          2HH1      ARG  20   6.357  11.392  -2.528
  133   HH21  ARG  20          1HH2      ARG  20   3.767  12.655  -0.549
  134   HH22  ARG  20          2HH2      ARG  20   4.861  12.986  -1.850
  135    H    LEU  21           HN       LEU  21   4.856   6.781   3.273
  136    HA   LEU  21           HA       LEU  21   2.976   5.026   4.695
  137    HG   LEU  21           HG       LEU  21   5.729   4.388   4.237
  138    HB2  LEU  21           HB2      LEU  21   5.385   6.527   5.731
  139    HB3  LEU  21           HB1      LEU  21   4.371   5.453   6.677
  140   HD11  LEU  21          1HD1      LEU  21   7.678   5.164   5.102
  141   HD12  LEU  21          2HD1      LEU  21   7.520   3.707   6.083
  142   HD13  LEU  21          3HD1      LEU  21   7.039   5.271   6.742
  143   HD21  LEU  21          3HD2      LEU  21   4.840   2.509   5.007
  144   HD22  LEU  21          1HD2      LEU  21   4.197   3.361   6.411
  145   HD23  LEU  21          2HD2      LEU  21   5.815   2.662   6.470
  146    H    GLN  22           HN       GLN  22   4.339   7.821   6.233
  147    HA   GLN  22           HA       GLN  22   1.660   8.924   6.577
  148    HB2  GLN  22           HB2      GLN  22   3.653   8.606   8.370
  149    HB3  GLN  22           HB1      GLN  22   4.004  10.242   7.830
  150    HG2  GLN  22           HG2      GLN  22   2.388  11.055   9.097
  151    HG3  GLN  22           HG1      GLN  22   1.204   9.995   8.337
  152   HE21  GLN  22          1HE2      GLN  22   0.067   9.494  10.153
  153   HE22  GLN  22          2HE2      GLN  22   0.715   8.578  11.467
  154    H    SER  23           HN       SER  23   2.880   9.060   4.019
  155    HA   SER  23           HA       SER  23   3.315  10.467   2.303
  156    HG   SER  23           HG       SER  23   0.617  12.626   4.326
  157    HB2  SER  23           HB2      SER  23   2.336  12.952   3.051
  158    HB3  SER  23           HB1      SER  23   1.441  11.681   2.217
  159    H    GLY  24           HN       GLY  24   5.109  10.414   4.781
  160    HA2  GLY  24           HA2      GLY  24   6.537  12.951   4.304
  161    HA3  GLY  24           HA1      GLY  24   6.695  11.960   5.749
  162    H    ALA  25           HN       ALA  25   6.594   9.641   3.682
  163    HA   ALA  25           HA       ALA  25   8.937   9.723   2.138
  164    HB1  ALA  25           HB1      ALA  25   9.356   8.110   4.638
  165    HB2  ALA  25           HB2      ALA  25   9.883   9.788   4.516
  166    HB3  ALA  25           HB3      ALA  25  10.537   8.577   3.415
  167    H    TRP  26           HN       TRP  26   9.736   7.154   2.022
  168    HA   TRP  26           HA       TRP  26   7.232   5.717   1.457
  169    HD1  TRP  26           HD1      TRP  26   9.990   7.993  -0.531
  170    HE1  TRP  26           HE1      TRP  26   8.769   9.233  -2.429
  171    HE3  TRP  26           HE3      TRP  26   6.369   4.535  -1.561
  172    HZ2  TRP  26           HZ2      TRP  26   6.560   8.800  -4.137
  173    HZ3  TRP  26           HZ3      TRP  26   4.742   5.023  -3.340
  174    HH2  TRP  26           HH2      TRP  26   4.835   7.111  -4.598
  175    HB2  TRP  26           HB2      TRP  26   9.946   5.360   0.171
  176    HB3  TRP  26           HB1      TRP  26   8.492   4.460  -0.239
  177    H    GLY  27           HN       GLY  27   7.289   3.377   1.666
  178    HA2  GLY  27           HA2      GLY  27   9.126   2.512   3.817
  179    HA3  GLY  27           HA1      GLY  27   7.423   2.080   3.797
  180    H    CYS  28           HN       CYS  28   9.787   0.356   3.852
  181    HA   CYS  28           HA       CYS  28   9.559  -1.004   1.257
  182    HB2  CYS  28           HB2      CYS  28  11.630  -1.244   3.442
  183    HB3  CYS  28           HB1      CYS  28  11.588  -2.266   2.012
  184    H    CYS  29           HN       CYS  29   8.034  -2.506   1.237
  185    HA   CYS  29           HA       CYS  29   7.577  -4.096   3.662
  186    HB2  CYS  29           HB2      CYS  29   5.738  -2.760   2.217
  187    HB3  CYS  29           HB1      CYS  29   5.706  -4.303   1.371
  188    HA   PRO  30           HA       PRO  30   9.559  -7.395   1.368
  189    HB2  PRO  30           HB2      PRO  30   9.629  -9.197   3.350
  190    HB3  PRO  30           HB1      PRO  30  10.674  -7.769   3.367
  191    HG2  PRO  30           HG2      PRO  30   8.101  -8.253   4.821
  192    HG3  PRO  30           HG1      PRO  30   9.602  -7.520   5.418
  193    HD2  PRO  30           HD2      PRO  30   7.421  -6.078   4.600
  194    HD3  PRO  30           HD1      PRO  30   9.085  -5.465   4.544
  195    H    PHE  31           HN       PHE  31   6.986  -7.061   0.617
  196    HA   PHE  31           HA       PHE  31   5.203  -9.128   1.313
  197    HD1  PHE  31           HD1      PHE  31   6.985  -6.491  -1.184
  198    HD2  PHE  31           HD2      PHE  31   3.659  -8.688  -2.675
  199    HE1  PHE  31           HE1      PHE  31   7.757  -6.090  -3.485
  200    HE2  PHE  31           HE2      PHE  31   4.425  -8.293  -4.978
  201    HZ   PHE  31           HZ       PHE  31   6.477  -6.994  -5.386
  202    HB2  PHE  31           HB2      PHE  31   3.826  -8.324  -0.416
  203    HB3  PHE  31           HB1      PHE  31   4.712  -6.903   0.127
  204    H    THR  32           HN       THR  32   4.334 -10.686  -0.345
  205    HA   THR  32           HA       THR  32   6.400 -11.819  -2.070
  206    HB   THR  32           HB       THR  32   6.545 -13.060   0.064
  207    HG1  THR  32           HG1      THR  32   5.380 -15.008  -1.472
  208   HG21  THR  32          3HG2      THR  32   3.652 -13.720  -0.499
  209   HG22  THR  32          1HG2      THR  32   4.281 -12.808   0.872
  210   HG23  THR  32          2HG2      THR  32   4.649 -14.524   0.713
  211    H    GLN  33           HN       GLN  33   3.776 -10.370  -2.194
  212    HA   GLN  33           HA       GLN  33   2.749 -11.535  -4.525
  213    HB2  GLN  33           HB2      GLN  33   1.905 -13.222  -2.876
  214    HB3  GLN  33           HB1      GLN  33   0.971 -11.942  -2.113
  215    HG2  GLN  33           HG2      GLN  33   0.060 -11.626  -4.568
  216    HG3  GLN  33           HG1      GLN  33   0.550 -13.313  -4.708
  217   HE21  GLN  33          1HE2      GLN  33  -0.156 -14.642  -2.706
  218   HE22  GLN  33          2HE2      GLN  33  -1.803 -14.429  -2.231
  219    H    ALA  34           HN       ALA  34   1.207  -9.998  -1.699
  220    HA   ALA  34           HA       ALA  34   1.238  -7.379  -2.708
  221    HB1  ALA  34           HB1      ALA  34  -0.485  -7.250  -4.101
  222    HB2  ALA  34           HB2      ALA  34  -1.564  -7.926  -2.880
  223    HB3  ALA  34           HB3      ALA  34  -0.688  -8.997  -3.974
  224    H    VAL  35           HN       VAL  35   1.442  -6.468  -0.748
  225    HA   VAL  35           HA       VAL  35  -0.617  -7.088   1.269
  226    HB   VAL  35           HB       VAL  35   2.091  -6.149   2.121
  227   HG11  VAL  35          1HG1      VAL  35   0.822  -8.153   3.744
  228   HG12  VAL  35          2HG1      VAL  35  -0.305  -6.841   3.395
  229   HG13  VAL  35          3HG1      VAL  35   1.251  -6.491   4.149
  230   HG21  VAL  35          3HG2      VAL  35   2.233  -8.207   0.568
  231   HG22  VAL  35          1HG2      VAL  35   1.482  -9.079   1.905
  232   HG23  VAL  35          2HG2      VAL  35   3.037  -8.280   2.136
  233    H    CYS  36           HN       CYS  36   1.551  -4.657  -0.089
  234    HA   CYS  36           HA       CYS  36   0.885  -2.483   1.497
  235    HB2  CYS  36           HB2      CYS  36   2.011  -2.868  -1.193
  236    HB3  CYS  36           HB1      CYS  36   1.187  -1.327  -0.970
  237    H    CYS  37           HN       CYS  37  -0.787  -3.843  -1.287
  238    HA   CYS  37           HA       CYS  37  -2.880  -3.574  -2.113
  239    HB2  CYS  37           HB2      CYS  37  -3.449  -2.474   0.648
  240    HB3  CYS  37           HB1      CYS  37  -4.667  -2.970  -0.523
  241    H    GLU  38           HN       GLU  38  -3.482  -2.166  -3.600
  242    HA   GLU  38           HA       GLU  38  -2.542   0.483  -3.670
  243    HB2  GLU  38           HB2      GLU  38  -4.516  -1.077  -5.295
  244    HB3  GLU  38           HB1      GLU  38  -4.339   0.652  -5.559
  245    HG2  GLU  38           HG2      GLU  38  -2.924  -0.320  -7.126
  246    HG3  GLU  38           HG1      GLU  38  -1.848   0.182  -5.823
  247    H    ASP  39           HN       ASP  39  -5.814   0.589  -4.558
  248    HA   ASP  39           HA       ASP  39  -7.543   1.878  -3.840
  249    HB2  ASP  39           HB2      ASP  39  -7.034  -0.038  -1.896
  250    HB3  ASP  39           HB1      ASP  39  -7.157   1.461  -0.981
  251    H    HIS  40           HN       HIS  40  -5.923   2.377  -0.785
  252    HA   HIS  40           HA       HIS  40  -4.657   4.828  -1.438
  253    HD1  HIS  40           HD1      HIS  40  -9.109   4.907  -1.606
  254    HD2  HIS  40           HD2      HIS  40  -7.289   4.420   2.098
  255    HE1  HIS  40           HE1      HIS  40 -10.873   3.915  -0.116
  256    HE2  HIS  40           HE2      HIS  40  -9.716   3.527   2.089
  257    HB2  HIS  40           HB2      HIS  40  -6.200   6.256   0.004
  258    HB3  HIS  40           HB1      HIS  40  -6.809   5.813  -1.587
  259    H    ILE  41           HN       ILE  41  -4.014   2.417  -0.074
  260    HA   ILE  41           HA       ILE  41  -3.136   3.549   2.461
  261    HB   ILE  41           HB       ILE  41  -3.729   1.005   3.274
  262   HG12  ILE  41          2HG1      ILE  41  -6.226   0.830   2.726
  263   HG13  ILE  41          1HG1      ILE  41  -5.900   1.950   1.406
  264   HG21  ILE  41          1HG2      ILE  41  -4.778   3.696   3.727
  265   HG22  ILE  41          2HG2      ILE  41  -4.279   2.459   4.881
  266   HG23  ILE  41          3HG2      ILE  41  -5.891   2.400   4.168
  267   HD11  ILE  41          3HD1      ILE  41  -4.520   0.407   0.303
  268   HD12  ILE  41          1HD1      ILE  41  -5.921  -0.516   0.846
  269   HD13  ILE  41          2HD1      ILE  41  -4.399  -0.626   1.727
  270    H    HIS  42           HN       HIS  42  -1.848   1.547   3.598
  271    HA   HIS  42           HA       HIS  42  -0.215   0.231   1.553
  272    HD1  HIS  42           HD1      HIS  42  -0.166   4.032   3.198
  273    HD2  HIS  42           HD2      HIS  42   1.635   1.290   5.748
  274    HE1  HIS  42           HE1      HIS  42  -0.205   5.102   5.472
  275    HE2  HIS  42           HE2      HIS  42   0.780   3.374   7.017
  276    HB2  HIS  42           HB2      HIS  42   1.817   0.858   3.003
  277    HB3  HIS  42           HB1      HIS  42   1.125   2.120   1.992
  278    H    CYS  43           HN       CYS  43   1.586  -1.088   3.005
  279    HA   CYS  43           HA       CYS  43   0.356  -3.292   4.027
  280    HB2  CYS  43           HB2      CYS  43   3.035  -2.084   4.686
  281    HB3  CYS  43           HB1      CYS  43   2.518  -3.620   5.373
  282    H    CYS  44           HN       CYS  44   0.669  -0.227   5.549
  283    HA   CYS  44           HA       CYS  44  -0.163   0.627   7.479
  284    HB2  CYS  44           HB2      CYS  44  -1.560  -2.039   7.474
  285    HB3  CYS  44           HB1      CYS  44  -1.762  -0.901   8.801
  286    HA   PRO  45           HA       PRO  45   2.543  -0.083  10.868
  287    HB2  PRO  45           HB2      PRO  45   0.102  -0.552  12.537
  288    HB3  PRO  45           HB1      PRO  45   1.516   0.457  12.873
  289    HG2  PRO  45           HG2      PRO  45  -0.761   1.555  12.043
  290    HG3  PRO  45           HG1      PRO  45   0.803   2.158  11.467
  291    HD2  PRO  45           HD2      PRO  45  -1.242   0.546  10.044
  292    HD3  PRO  45           HD1      PRO  45  -0.067   1.708   9.398
  293    H    ALA  46           HN       ALA  46   3.340  -1.705  12.323
  294    HA   ALA  46           HA       ALA  46   3.127  -4.319  11.363
  295    HB1  ALA  46           HB1      ALA  46   5.105  -4.064  12.442
  296    HB2  ALA  46           HB2      ALA  46   4.184  -4.772  13.770
  297    HB3  ALA  46           HB3      ALA  46   4.417  -3.026  13.689
  298    H    GLY  47           HN       GLY  47   2.331  -6.231  12.363
  299    HA2  GLY  47           HA2      GLY  47   0.946  -7.443  13.814
  300    HA3  GLY  47           HA1      GLY  47   0.370  -5.930  14.495
  301    H    PHE  48           HN       PHE  48  -0.016  -5.012  11.585
  302    HA   PHE  48           HA       PHE  48  -2.762  -5.883  11.417
  303    HD1  PHE  48           HD2      PHE  48  -1.450  -4.202  12.889
  304    HD2  PHE  48           HD1      PHE  48  -3.039  -1.776   9.774
  305    HE1  PHE  48           HE2      PHE  48  -1.690  -2.333  14.466
  306    HE2  PHE  48           HE1      PHE  48  -3.287   0.092  11.344
  307    HZ   PHE  48           HZ       PHE  48  -2.614  -0.180  13.700
  308    HB2  PHE  48           HB2      PHE  48  -1.207  -4.015   9.616
  309    HB3  PHE  48           HB1      PHE  48  -2.946  -4.250   9.597
  310    H    THR  49           HN       THR  49  -3.538  -6.172   9.020
  311    HA   THR  49           HA       THR  49  -1.756  -7.663   7.325
  312    HB   THR  49           HB       THR  49  -4.087  -9.125   8.584
  313    HG1  THR  49           HG1      THR  49  -2.116 -10.480   9.239
  314   HG21  THR  49          3HG2      THR  49  -3.043 -11.087   7.391
  315   HG22  THR  49          1HG2      THR  49  -2.050  -9.925   6.509
  316   HG23  THR  49          2HG2      THR  49  -3.806  -9.889   6.345
  317    H    CYS  50           HN       CYS  50  -2.351  -7.407   5.271
  318    HA   CYS  50           HA       CYS  50  -4.837  -6.031   4.661
  319    HB2  CYS  50           HB2      CYS  50  -2.288  -5.996   3.573
  320    HB3  CYS  50           HB1      CYS  50  -3.211  -6.918   2.393
  321    H    ASP  51           HN       ASP  51  -6.610  -7.170   4.503
  322    HA   ASP  51           HA       ASP  51  -6.562  -9.945   3.708
  323    HB2  ASP  51           HB2      ASP  51  -9.088  -8.370   4.074
  324    HB3  ASP  51           HB1      ASP  51  -8.769 -10.061   4.446
  325    H    THR  52           HN       THR  52  -6.782 -10.634   1.713
  326    HA   THR  52           HA       THR  52  -6.884  -8.993  -0.520
  327    HB   THR  52           HB       THR  52  -7.966 -11.755  -0.779
  328    HG1  THR  52           HG1      THR  52  -5.331 -11.970  -0.670
  329   HG21  THR  52          3HG2      THR  52  -5.600 -10.762  -2.262
  330   HG22  THR  52          1HG2      THR  52  -7.137  -9.959  -2.582
  331   HG23  THR  52          2HG2      THR  52  -6.983 -11.698  -2.830
  332    H    GLN  53           HN       GLN  53  -9.406  -9.876   1.558
  333    HA   GLN  53           HA       GLN  53 -11.598 -10.028  -0.165
  334    HB2  GLN  53           HB2      GLN  53 -11.263 -10.156   2.542
  335    HB3  GLN  53           HB1      GLN  53 -12.068  -8.603   2.370
  336    HG2  GLN  53           HG2      GLN  53 -13.209 -10.920   0.913
  337    HG3  GLN  53           HG1      GLN  53 -13.407 -10.862   2.664
  338   HE21  GLN  53          1HE2      GLN  53 -14.191  -8.699   3.495
  339   HE22  GLN  53          2HE2      GLN  53 -15.458  -7.941   2.597
  340    H    LYS  54           HN       LYS  54  -9.740  -7.310   1.023
  341    HA   LYS  54           HA       LYS  54 -10.705  -5.598  -1.017
  342    HB2  LYS  54           HB2      LYS  54 -12.372  -5.726   1.245
  343    HB3  LYS  54           HB1      LYS  54 -11.481  -4.219   1.397
  344    HG2  LYS  54           HG2      LYS  54 -12.969  -5.020  -1.088
  345    HG3  LYS  54           HG1      LYS  54 -13.676  -4.055   0.208
  346    HD2  LYS  54           HD2      LYS  54 -12.104  -2.295  -0.143
  347    HD3  LYS  54           HD1      LYS  54 -11.148  -3.292  -1.243
  348    HE2  LYS  54           HE2      LYS  54 -14.016  -2.652  -1.831
  349    HE3  LYS  54           HE1      LYS  54 -12.731  -1.516  -2.238
  350    HZ1  LYS  54           HZ1      LYS  54 -13.574  -3.689  -3.720
  351    HZ2  LYS  54           HZ2      LYS  54 -12.055  -4.119  -3.117
  352    HZ3  LYS  54           HZ3      LYS  54 -12.234  -2.703  -4.023
  353    H    GLY  55           HN       GLY  55  -8.237  -6.531   0.189
  354    HA2  GLY  55           HA2      GLY  55  -6.204  -5.750   0.945
  355    HA3  GLY  55           HA1      GLY  55  -6.626  -4.314   0.018
  356    H    THR  56           HN       THR  56  -8.016  -5.716   2.973
  357    HA   THR  56           HA       THR  56  -7.755  -3.067   4.226
  358    HB   THR  56           HB       THR  56  -9.290  -5.115   5.674
  359    HG1  THR  56           HG1      THR  56 -11.071  -4.509   4.017
  360   HG21  THR  56          3HG2      THR  56  -9.294  -2.230   5.184
  361   HG22  THR  56          1HG2      THR  56  -9.833  -3.138   6.596
  362   HG23  THR  56          2HG2      THR  56 -10.904  -2.948   5.209
  363    H    CYS  57           HN       CYS  57  -6.251  -2.715   5.697
  364    HA   CYS  57           HA       CYS  57  -4.758  -4.935   6.828
  365    HB2  CYS  57           HB2      CYS  57  -3.276  -3.186   7.730
  366    HB3  CYS  57           HB1      CYS  57  -3.522  -2.996   5.999
  367    H    GLU  58           HN       GLU  58  -4.991  -5.713   8.841
  368    HA   GLU  58           HA       GLU  58  -6.267  -4.059  10.878
  369    HB2  GLU  58           HB2      GLU  58  -7.641  -6.166  11.523
  370    HB3  GLU  58           HB1      GLU  58  -8.210  -5.144  10.212
  371    HG2  GLU  58           HG2      GLU  58  -7.402  -6.673   8.570
  372    HG3  GLU  58           HG1      GLU  58  -6.576  -7.633   9.797
  373    H    GLN  59           HN       GLN  59  -5.411  -4.286  12.824
  374    HA   GLN  59           HA       GLN  59  -3.029  -5.692  13.218
  375    HB2  GLN  59           HB2      GLN  59  -4.207  -5.242  15.763
  376    HB3  GLN  59           HB1      GLN  59  -2.924  -4.336  14.979
  377    HG2  GLN  59           HG2      GLN  59  -4.390  -2.649  15.294
  378    HG3  GLN  59           HG1      GLN  59  -4.987  -3.224  13.739
  379   HE21  GLN  59          1HE2      GLN  59  -7.071  -2.556  14.031
  380   HE22  GLN  59          2HE2      GLN  59  -8.140  -3.256  15.193
  381    H    LYS  60           HN       LYS  60  -3.586  -7.841  12.505
  382    HA   LYS  60           HA       LYS  60  -3.792  -9.678  14.544
  383    HB2  LYS  60           HB2      LYS  60  -6.370  -8.678  13.761
  384    HB3  LYS  60           HB1      LYS  60  -6.254 -10.384  13.348
  385    HG2  LYS  60           HG2      LYS  60  -5.816 -10.988  15.597
  386    HG3  LYS  60           HG1      LYS  60  -5.578  -9.305  16.070
  387    HD2  LYS  60           HD2      LYS  60  -8.071  -9.152  15.076
  388    HD3  LYS  60           HD1      LYS  60  -8.076 -10.825  15.638
  389    HE2  LYS  60           HE2      LYS  60  -6.950  -8.845  17.508
  390    HE3  LYS  60           HE1      LYS  60  -8.679  -8.704  17.195
  391    HZ1  LYS  60           HZ1      LYS  60  -7.807 -11.404  17.679
  392    HZ2  LYS  60           HZ2      LYS  60  -9.105 -10.550  18.348
  393    HZ3  LYS  60           HZ3      LYS  60  -7.553 -10.372  18.996
  394    H    LEU  61           HN       LEU  61  -5.788 -10.225  11.726
  395    HA   LEU  61           HA       LEU  61  -3.693 -11.219  10.058
  396    HG   LEU  61           HG       LEU  61  -2.566 -13.061  11.690
  397    HB2  LEU  61           HB2      LEU  61  -4.981 -13.029  11.939
  398    HB3  LEU  61           HB1      LEU  61  -5.189 -13.554  10.279
  399   HD11  LEU  61          1HD1      LEU  61  -3.810 -15.150  12.253
  400   HD12  LEU  61          2HD1      LEU  61  -2.233 -15.418  11.511
  401   HD13  LEU  61          3HD1      LEU  61  -3.702 -15.607  10.553
  402   HD21  LEU  61          3HD2      LEU  61  -3.183 -12.939   8.911
  403   HD22  LEU  61          1HD2      LEU  61  -2.222 -14.386   9.215
  404   HD23  LEU  61          2HD2      LEU  61  -1.612 -12.806   9.704
  405    H    ALA  62           HN       ALA  62  -4.820 -12.672   8.247
  406    HA   ALA  62           HA       ALA  62  -6.947 -11.004   7.203
  407    HB1  ALA  62           HB1      ALA  62  -5.624 -13.368   5.883
  408    HB2  ALA  62           HB2      ALA  62  -4.999 -11.720   5.817
  409    HB3  ALA  62           HB3      ALA  62  -6.571 -12.097   5.110
  410    H    ALA  63           HN       ALA  63  -8.468 -11.750   8.892
  411    HA   ALA  63           HA       ALA  63  -9.396 -14.409   9.025
  412    HB1  ALA  63           HB1      ALA  63 -10.629 -13.616  10.702
  413    HB2  ALA  63           HB2      ALA  63 -11.448 -12.466   9.646
  414    HB3  ALA  63           HB3      ALA  63  -9.903 -12.040  10.382
  415    H    ALA  64           HN       ALA  64 -10.023 -11.826   6.815
  416    HA   ALA  64           HA       ALA  64 -12.480 -12.917   5.784
  417    HB1  ALA  64           HB1      ALA  64 -12.689 -10.963   4.714
  418    HB2  ALA  64           HB2      ALA  64 -11.048 -11.030   4.071
  419    HB3  ALA  64           HB3      ALA  64 -11.330 -10.441   5.710
  420    H    LEU  65           HN       LEU  65  -9.300 -12.356   4.253
  421    HA   LEU  65           HA       LEU  65  -9.590 -14.920   2.857
  422    HG   LEU  65           HG       LEU  65 -11.072 -14.362   0.978
  423    HB2  LEU  65           HB2      LEU  65  -9.756 -12.322   1.653
  424    HB3  LEU  65           HB1      LEU  65  -8.317 -13.137   1.070
  425   HD11  LEU  65          1HD1      LEU  65  -9.677 -12.518  -0.886
  426   HD12  LEU  65          2HD1      LEU  65 -11.395 -12.675  -0.518
  427   HD13  LEU  65          3HD1      LEU  65 -10.608 -13.850  -1.572
  428   HD21  LEU  65          3HD2      LEU  65  -9.914 -15.765  -0.789
  429   HD22  LEU  65          1HD2      LEU  65  -9.440 -16.061   0.884
  430   HD23  LEU  65          2HD2      LEU  65  -8.397 -15.110  -0.174
  431    H    GLU  66           HN       GLU  66  -7.915 -16.076   3.560
  432    HA   GLU  66           HA       GLU  66  -5.255 -14.824   3.508
  433    HB2  GLU  66           HB2      GLU  66  -6.400 -15.295   5.847
  434    HB3  GLU  66           HB1      GLU  66  -5.835 -16.932   5.538
  435    HG2  GLU  66           HG2      GLU  66  -3.695 -15.168   4.980
  436    HG3  GLU  66           HG1      GLU  66  -4.387 -14.704   6.533
  437    H    HIS  67           HN       HIS  67  -3.783 -15.915   2.378
  438    HA   HIS  67           HA       HIS  67  -4.481 -18.608   1.448
  439    HD1  HIS  67           HD1      HIS  67  -5.807 -18.169  -0.508
  440    HD2  HIS  67           HD2      HIS  67  -3.487 -14.797  -1.230
  441    HE1  HIS  67           HE1      HIS  67  -7.237 -16.659  -1.922
  442    HE2  HIS  67           HE2      HIS  67  -5.818 -14.616  -2.335
  443    HB2  HIS  67           HB2      HIS  67  -2.413 -16.676   0.377
  444    HB3  HIS  67           HB1      HIS  67  -2.839 -18.229  -0.335
  445    H    HIS  68           HN       HIS  68  -1.296 -17.092   1.778
  446    HA   HIS  68           HA       HIS  68  -0.532 -19.078   3.783
  447    HD1  HIS  68           HD1      HIS  68  -1.361 -19.807   0.119
  448    HD2  HIS  68           HD2      HIS  68   0.848 -22.186   2.715
  449    HE1  HIS  68           HE1      HIS  68  -2.175 -22.155  -0.265
  450    HE2  HIS  68           HE2      HIS  68  -0.881 -23.566   1.374
  451    HB2  HIS  68           HB2      HIS  68   0.864 -18.704   1.127
  452    HB3  HIS  68           HB1      HIS  68   1.577 -19.556   2.492
  453    H    HIS  69           HN       HIS  69   0.119 -17.824   5.408
  454    HA   HIS  69           HA       HIS  69   1.214 -15.221   5.041
  455    HD1  HIS  69           HD1      HIS  69  -0.056 -13.544   6.202
  456    HD2  HIS  69           HD2      HIS  69   2.409 -14.782   9.311
  457    HE1  HIS  69           HE1      HIS  69   0.498 -11.458   7.494
  458    HE2  HIS  69           HE2      HIS  69   1.924 -12.243   9.416
  459    HB2  HIS  69           HB2      HIS  69  -0.069 -16.306   7.085
  460    HB3  HIS  69           HB1      HIS  69   1.565 -16.698   7.612
  461    H    HIS  70           HN       HIS  70   2.788 -17.658   7.056
  462    HA   HIS  70           HA       HIS  70   5.171 -17.665   5.416
  463    HD1  HIS  70           HD1      HIS  70   7.031 -14.145   7.307
  464    HD2  HIS  70           HD2      HIS  70   7.451 -17.652   5.119
  465    HE1  HIS  70           HE1      HIS  70   9.054 -13.793   5.855
  466    HE2  HIS  70           HE2      HIS  70   9.231 -15.892   4.473
  467    HB2  HIS  70           HB2      HIS  70   4.958 -15.705   7.378
  468    HB3  HIS  70           HB1      HIS  70   5.920 -16.966   8.142
  469    H    HIS  71           HN       HIS  71   4.097 -18.349   8.746
  470    HA   HIS  71           HA       HIS  71   4.133 -20.233  10.011
  471    HD1  HIS  71           HD1      HIS  71   1.858 -21.430   6.540
  472    HD2  HIS  71           HD2      HIS  71   2.224 -21.948  10.646
  473    HE1  HIS  71           HE1      HIS  71  -0.491 -21.701   7.396
  474    HE2  HIS  71           HE2      HIS  71  -0.249 -21.941   9.892
  475    HB2  HIS  71           HB2      HIS  71   4.209 -21.382   7.252
  476    HB3  HIS  71           HB1      HIS  71   4.494 -22.448   8.624
  477    H    HIS  72           HN       HIS  72   5.630 -21.237  11.249
  478    HA   HIS  72           HA       HIS  72   8.326 -20.572  10.994
  479    HD1  HIS  72           HD1      HIS  72   6.627 -21.269  15.005
  480    HD2  HIS  72           HD2      HIS  72   9.740 -19.774  12.693
  481    HE1  HIS  72           HE1      HIS  72   7.590 -19.359  16.328
  482    HE2  HIS  72           HE2      HIS  72   9.532 -18.532  14.952
  483    HB2  HIS  72           HB2      HIS  72   6.718 -22.318  12.743
  484    HB3  HIS  72           HB1      HIS  72   8.417 -22.761  12.615
  Start of MODEL    8
    1    HA   ALA   1           HA       ALA   1  20.715  -8.467  -9.707
    2    H1   ALA   1           HT1      ALA   1  21.118 -10.299  -7.662
    3    H2   ALA   1           HT2      ALA   1  22.309  -9.111  -7.497
    4    H3   ALA   1           HT3      ALA   1  22.142  -9.941  -8.960
    5    HB1  ALA   1           HB1      ALA   1  19.270  -9.522  -7.361
    6    HB2  ALA   1           HB2      ALA   1  18.779  -9.428  -9.053
    7    HB3  ALA   1           HB3      ALA   1  18.675  -7.999  -8.024
    8    H    MET   2           HN       MET   2  19.350  -6.358  -8.865
    9    HA   MET   2           HA       MET   2  21.361  -4.736  -7.455
   10    HB2  MET   2           HB2      MET   2  19.187  -3.672  -9.248
   11    HB3  MET   2           HB1      MET   2  20.648  -2.854  -8.711
   12    HG2  MET   2           HG2      MET   2  21.708  -3.520 -10.527
   13    HG3  MET   2           HG1      MET   2  21.417  -5.205 -10.098
   14    HE1  MET   2           HE1      MET   2  21.437  -5.369 -13.166
   15    HE2  MET   2           HE2      MET   2  19.891  -6.213 -13.246
   16    HE3  MET   2           HE3      MET   2  20.977  -6.492 -11.885
   17    H    ASP   3           HN       ASP   3  19.798  -2.497  -6.949
   18    HA   ASP   3           HA       ASP   3  17.878  -3.544  -4.975
   19    HB2  ASP   3           HB2      ASP   3  19.654  -1.101  -4.834
   20    HB3  ASP   3           HB1      ASP   3  18.386  -1.466  -3.667
   21    H    VAL   4           HN       VAL   4  16.186  -1.904  -4.333
   22    HA   VAL   4           HA       VAL   4  15.349  -0.293  -6.653
   23    HB   VAL   4           HB       VAL   4  13.386  -1.753  -4.895
   24   HG11  VAL   4          1HG1      VAL   4  12.151  -1.468  -7.233
   25   HG12  VAL   4          2HG1      VAL   4  13.267  -0.107  -7.359
   26   HG13  VAL   4          3HG1      VAL   4  12.144  -0.204  -6.003
   27   HG21  VAL   4          3HG2      VAL   4  14.126  -3.664  -5.797
   28   HG22  VAL   4          1HG2      VAL   4  15.078  -2.825  -7.022
   29   HG23  VAL   4          2HG2      VAL   4  13.356  -3.101  -7.280
   30    H    LYS   5           HN       LYS   5  14.650   1.722  -6.221
   31    HA   LYS   5           HA       LYS   5  14.239   2.458  -3.395
   32    HB2  LYS   5           HB2      LYS   5  15.360   4.347  -5.458
   33    HB3  LYS   5           HB1      LYS   5  15.385   4.502  -3.707
   34    HG2  LYS   5           HG2      LYS   5  17.436   3.672  -3.739
   35    HG3  LYS   5           HG1      LYS   5  16.747   2.129  -4.246
   36    HD2  LYS   5           HD2      LYS   5  17.711   2.316  -6.241
   37    HD3  LYS   5           HD1      LYS   5  16.927   3.876  -6.504
   38    HE2  LYS   5           HE2      LYS   5  18.934   4.476  -4.720
   39    HE3  LYS   5           HE1      LYS   5  19.677   3.262  -5.762
   40    HZ1  LYS   5           HZ1      LYS   5  19.512   5.891  -6.327
   41    HZ2  LYS   5           HZ2      LYS   5  18.191   5.278  -7.186
   42    HZ3  LYS   5           HZ3      LYS   5  19.742   4.672  -7.476
   43    H    CYS   6           HN       CYS   6  13.500   5.158  -3.967
   44    HA   CYS   6           HA       CYS   6  11.283   5.073  -5.821
   45    HB2  CYS   6           HB2      CYS   6  10.784   4.273  -3.206
   46    HB3  CYS   6           HB1      CYS   6  10.269   5.956  -3.239
   47    H    ASP   7           HN       ASP   7  12.170   6.967  -2.921
   48    HA   ASP   7           HA       ASP   7  12.150   9.373  -4.624
   49    HB2  ASP   7           HB2      ASP   7  10.571   8.949  -2.476
   50    HB3  ASP   7           HB1      ASP   7  11.962   9.683  -1.682
   51    H    MET   8           HN       MET   8  14.406   7.565  -4.225
   52    HA   MET   8           HA       MET   8  16.633   7.598  -3.770
   53    HB2  MET   8           HB2      MET   8  15.981  10.490  -4.207
   54    HB3  MET   8           HB1      MET   8  17.606  10.027  -3.721
   55    HG2  MET   8           HG2      MET   8  18.079   9.061  -5.714
   56    HG3  MET   8           HG1      MET   8  16.413   8.559  -5.993
   57    HE1  MET   8           HE1      MET   8  15.951  10.663  -8.976
   58    HE2  MET   8           HE2      MET   8  15.628   9.183  -8.072
   59    HE3  MET   8           HE3      MET   8  17.243   9.492  -8.712
   60    H    GLU   9           HN       GLU   9  14.884   7.419  -1.542
   61    HA   GLU   9           HA       GLU   9  16.669   8.460   0.542
   62    HB2  GLU   9           HB2      GLU   9  13.885   9.172   0.123
   63    HB3  GLU   9           HB1      GLU   9  14.136   8.460   1.710
   64    HG2  GLU   9           HG2      GLU   9  14.630  10.558   2.306
   65    HG3  GLU   9           HG1      GLU   9  16.208  10.186   1.613
   66    H    VAL  10           HN       VAL  10  13.959   6.284  -0.187
   67    HA   VAL  10           HA       VAL  10  14.729   4.515   1.991
   68    HB   VAL  10           HB       VAL  10  12.302   5.100   1.299
   69   HG11  VAL  10          1HG1      VAL  10  12.902   2.913  -0.691
   70   HG12  VAL  10          2HG1      VAL  10  12.524   4.593  -1.074
   71   HG13  VAL  10          3HG1      VAL  10  11.304   3.563  -0.324
   72   HG21  VAL  10          3HG2      VAL  10  11.797   3.463   2.711
   73   HG22  VAL  10          1HG2      VAL  10  13.473   2.927   2.597
   74   HG23  VAL  10          2HG2      VAL  10  12.250   2.230   1.535
   75    H    SER  11           HN       SER  11  15.124   2.233   1.631
   76    HA   SER  11           HA       SER  11  16.162   1.615  -1.053
   77    HG   SER  11           HG       SER  11  18.757   1.711  -0.932
   78    HB2  SER  11           HB2      SER  11  17.543   1.458   1.579
   79    HB3  SER  11           HB1      SER  11  17.902   0.219   0.379
   80    H    CYS  12           HN       CYS  12  14.317   0.425  -1.514
   81    HA   CYS  12           HA       CYS  12  13.757  -1.925   0.134
   82    HB2  CYS  12           HB2      CYS  12  12.296  -0.892  -2.309
   83    HB3  CYS  12           HB1      CYS  12  11.754  -2.182  -1.241
   84    HA   PRO  13           HA       PRO  13  16.414  -3.902  -2.961
   85    HB2  PRO  13           HB2      PRO  13  17.287  -5.911  -1.438
   86    HB3  PRO  13           HB1      PRO  13  17.861  -4.251  -1.194
   87    HG2  PRO  13           HG2      PRO  13  15.729  -5.743   0.303
   88    HG3  PRO  13           HG1      PRO  13  17.078  -4.788   0.947
   89    HD2  PRO  13           HD2      PRO  13  14.557  -3.798   0.685
   90    HD3  PRO  13           HD1      PRO  13  16.011  -2.786   0.560
   91    H    ASP  14           HN       ASP  14  16.643  -6.721  -2.782
   92    HA   ASP  14           HA       ASP  14  14.576  -7.568  -4.408
   93    HB2  ASP  14           HB2      ASP  14  15.354  -9.890  -3.844
   94    HB3  ASP  14           HB1      ASP  14  16.629  -8.794  -4.366
   95    H    GLY  15           HN       GLY  15  12.528  -8.068  -4.080
   96    HA2  GLY  15           HA2      GLY  15  10.729  -9.150  -3.042
   97    HA3  GLY  15           HA1      GLY  15  11.704  -9.340  -1.596
   98    H    TYR  16           HN       TYR  16  12.364  -6.349  -1.875
   99    HA   TYR  16           HA       TYR  16  10.051  -5.473  -0.330
  100    HD1  TYR  16           HD2      TYR  16  13.571  -6.558  -0.208
  101    HD2  TYR  16           HD1      TYR  16  11.444  -4.053   2.492
  102    HE1  TYR  16           HE2      TYR  16  14.456  -7.854   1.679
  103    HE2  TYR  16           HE1      TYR  16  12.325  -5.336   4.389
  104    HH   TYR  16           HH       TYR  16  14.670  -6.922   4.614
  105    HB2  TYR  16           HB2      TYR  16  12.731  -4.153  -0.789
  106    HB3  TYR  16           HB1      TYR  16  11.452  -3.519   0.242
  107    H    THR  17           HN       THR  17   8.958  -3.540  -0.707
  108    HA   THR  17           HA       THR  17   9.285  -2.361  -3.387
  109    HB   THR  17           HB       THR  17   7.319  -3.965  -3.271
  110    HG1  THR  17           HG1      THR  17   6.416  -2.719  -4.747
  111   HG21  THR  17          3HG2      THR  17   5.253  -3.004  -2.237
  112   HG22  THR  17          1HG2      THR  17   6.271  -1.796  -1.454
  113   HG23  THR  17          2HG2      THR  17   6.476  -3.505  -1.070
  114    H    CYS  18           HN       CYS  18   8.396  -0.154  -3.562
  115    HA   CYS  18           HA       CYS  18   8.597   1.214  -0.972
  116    HB2  CYS  18           HB2      CYS  18   9.227   3.213  -2.206
  117    HB3  CYS  18           HB1      CYS  18  10.264   1.867  -2.658
  118    H    CYS  19           HN       CYS  19   6.772   1.792  -0.074
  119    HA   CYS  19           HA       CYS  19   4.619   2.877  -1.761
  120    HB2  CYS  19           HB2      CYS  19   4.342   0.434  -0.746
  121    HB3  CYS  19           HB1      CYS  19   3.894   1.339   0.696
  122    H    ARG  20           HN       ARG  20   3.947   4.819  -1.117
  123    HA   ARG  20           HA       ARG  20   5.157   6.284   0.890
  124    HE   ARG  20           HE       ARG  20   4.036  10.481  -1.344
  125    HB2  ARG  20           HB2      ARG  20   2.663   6.588  -0.702
  126    HB3  ARG  20           HB1      ARG  20   2.872   7.638   0.694
  127    HG2  ARG  20           HG2      ARG  20   5.080   7.379  -1.291
  128    HG3  ARG  20           HG1      ARG  20   3.685   8.395  -1.660
  129    HD2  ARG  20           HD2      ARG  20   4.352   9.098   0.930
  130    HD3  ARG  20           HD1      ARG  20   5.913   8.868   0.143
  131   HH11  ARG  20          1HH1      ARG  20   6.593  10.452   1.024
  132   HH12  ARG  20          2HH1      ARG  20   7.030  12.106   0.760
  133   HH21  ARG  20          1HH2      ARG  20   4.606  12.660  -1.698
  134   HH22  ARG  20          2HH2      ARG  20   5.901  13.362  -0.788
  135    H    LEU  21           HN       LEU  21   4.660   6.839   2.976
  136    HA   LEU  21           HA       LEU  21   2.614   5.180   4.301
  137    HG   LEU  21           HG       LEU  21   5.491   4.350   3.869
  138    HB2  LEU  21           HB2      LEU  21   5.156   6.302   5.484
  139    HB3  LEU  21           HB1      LEU  21   3.994   5.279   6.311
  140   HD11  LEU  21          1HD1      LEU  21   6.662   4.996   6.313
  141   HD12  LEU  21          2HD1      LEU  21   7.348   3.993   5.034
  142   HD13  LEU  21          3HD1      LEU  21   6.449   3.246   6.355
  143   HD21  LEU  21          3HD2      LEU  21   3.327   3.265   4.946
  144   HD22  LEU  21          1HD2      LEU  21   4.523   2.574   6.043
  145   HD23  LEU  21          2HD2      LEU  21   4.644   2.280   4.308
  146    H    GLN  22           HN       GLN  22   2.979   8.134   3.182
  147    HA   GLN  22           HA       GLN  22   1.933  10.117   3.558
  148    HB2  GLN  22           HB2      GLN  22   0.529   8.326   5.386
  149    HB3  GLN  22           HB1      GLN  22   0.600   9.995   5.942
  150    HG2  GLN  22           HG2      GLN  22  -1.420   9.671   4.696
  151    HG3  GLN  22           HG1      GLN  22  -0.339  10.720   3.780
  152   HE21  GLN  22          1HE2      GLN  22  -1.204  10.278   1.799
  153   HE22  GLN  22          2HE2      GLN  22  -1.076   8.739   1.026
  154    H    SER  23           HN       SER  23   3.914   8.622   5.910
  155    HA   SER  23           HA       SER  23   4.147  10.852   7.682
  156    HG   SER  23           HG       SER  23   4.174   9.588   9.344
  157    HB2  SER  23           HB2      SER  23   5.119   8.162   7.573
  158    HB3  SER  23           HB1      SER  23   6.494   9.243   7.799
  159    H    GLY  24           HN       GLY  24   4.482  11.293   4.790
  160    HA2  GLY  24           HA2      GLY  24   5.726  12.732   3.492
  161    HA3  GLY  24           HA1      GLY  24   6.680  13.107   4.920
  162    H    ALA  25           HN       ALA  25   6.552   9.789   4.324
  163    HA   ALA  25           HA       ALA  25   8.926   9.798   2.616
  164    HB1  ALA  25           HB1      ALA  25   9.890   9.834   4.806
  165    HB2  ALA  25           HB2      ALA  25  10.065   8.203   4.159
  166    HB3  ALA  25           HB3      ALA  25   8.816   8.548   5.355
  167    H    TRP  26           HN       TRP  26   9.601   7.326   2.330
  168    HA   TRP  26           HA       TRP  26   7.123   5.920   1.596
  169    HD1  TRP  26           HD1      TRP  26   9.738   8.374  -0.096
  170    HE1  TRP  26           HE1      TRP  26   8.589   9.566  -2.066
  171    HE3  TRP  26           HE3      TRP  26   6.625   4.615  -1.614
  172    HZ2  TRP  26           HZ2      TRP  26   6.623   8.987  -4.010
  173    HZ3  TRP  26           HZ3      TRP  26   5.144   5.015  -3.536
  174    HH2  TRP  26           HH2      TRP  26   5.141   7.154  -4.707
  175    HB2  TRP  26           HB2      TRP  26   9.914   5.675   0.452
  176    HB3  TRP  26           HB1      TRP  26   8.534   4.704  -0.049
  177    H    GLY  27           HN       GLY  27   7.282   3.504   1.603
  178    HA2  GLY  27           HA2      GLY  27   8.945   2.570   3.862
  179    HA3  GLY  27           HA1      GLY  27   7.255   2.114   3.703
  180    H    CYS  28           HN       CYS  28   9.503   0.337   3.879
  181    HA   CYS  28           HA       CYS  28   9.589  -0.820   1.179
  182    HB2  CYS  28           HB2      CYS  28  11.405  -1.063   3.556
  183    HB3  CYS  28           HB1      CYS  28  11.435  -2.265   2.273
  184    H    CYS  29           HN       CYS  29   8.289  -2.453   0.766
  185    HA   CYS  29           HA       CYS  29   7.382  -4.144   2.997
  186    HB2  CYS  29           HB2      CYS  29   6.019  -3.056   0.603
  187    HB3  CYS  29           HB1      CYS  29   5.618  -4.716   1.028
  188    HA   PRO  30           HA       PRO  30   9.791  -7.203   0.705
  189    HB2  PRO  30           HB2      PRO  30  10.235  -8.866   2.723
  190    HB3  PRO  30           HB1      PRO  30  11.007  -7.275   2.697
  191    HG2  PRO  30           HG2      PRO  30   8.563  -8.165   4.187
  192    HG3  PRO  30           HG1      PRO  30   9.937  -7.210   4.777
  193    HD2  PRO  30           HD2      PRO  30   7.550  -6.129   3.945
  194    HD3  PRO  30           HD1      PRO  30   9.097  -5.261   3.913
  195    H    PHE  31           HN       PHE  31   7.310  -7.349  -0.116
  196    HA   PHE  31           HA       PHE  31   6.335 -10.026   0.622
  197    HD1  PHE  31           HD2      PHE  31   6.468  -7.229  -1.610
  198    HD2  PHE  31           HD1      PHE  31   2.444  -7.420  -0.238
  199    HE1  PHE  31           HE2      PHE  31   5.847  -5.456  -3.193
  200    HE2  PHE  31           HE1      PHE  31   1.822  -5.642  -1.818
  201    HZ   PHE  31           HZ       PHE  31   3.523  -4.657  -3.298
  202    HB2  PHE  31           HB2      PHE  31   4.106  -9.308   0.098
  203    HB3  PHE  31           HB1      PHE  31   4.827  -8.111   1.160
  204    H    THR  32           HN       THR  32   4.528 -10.308  -1.542
  205    HA   THR  32           HA       THR  32   6.375 -10.484  -3.830
  206    HB   THR  32           HB       THR  32   4.898 -12.527  -4.465
  207    HG1  THR  32           HG1      THR  32   3.504 -12.014  -2.525
  208   HG21  THR  32          3HG2      THR  32   6.808 -12.777  -2.140
  209   HG22  THR  32          1HG2      THR  32   7.300 -12.592  -3.823
  210   HG23  THR  32          2HG2      THR  32   6.403 -14.025  -3.318
  211    H    GLN  33           HN       GLN  33   5.074  -8.253  -3.861
  212    HA   GLN  33           HA       GLN  33   3.709  -6.918  -5.087
  213    HB2  GLN  33           HB2      GLN  33   3.449  -9.470  -6.657
  214    HB3  GLN  33           HB1      GLN  33   2.585  -8.010  -7.117
  215    HG2  GLN  33           HG2      GLN  33   5.502  -7.789  -6.657
  216    HG3  GLN  33           HG1      GLN  33   4.959  -8.631  -8.107
  217   HE21  GLN  33          1HE2      GLN  33   5.116  -7.314  -9.769
  218   HE22  GLN  33          2HE2      GLN  33   4.626  -5.658  -9.807
  219    H    ALA  34           HN       ALA  34   1.829  -6.104  -4.488
  220    HA   ALA  34           HA       ALA  34  -0.615  -7.529  -4.473
  221    HB1  ALA  34           HB1      ALA  34  -1.019  -8.000  -2.264
  222    HB2  ALA  34           HB2      ALA  34   0.119  -6.782  -1.682
  223    HB3  ALA  34           HB3      ALA  34   0.717  -8.303  -2.341
  224    H    VAL  35           HN       VAL  35  -1.749  -5.907  -2.249
  225    HA   VAL  35           HA       VAL  35  -1.659  -3.272  -3.575
  226    HB   VAL  35           HB       VAL  35  -3.995  -4.356  -2.011
  227   HG11  VAL  35          1HG1      VAL  35  -3.927  -2.186  -4.096
  228   HG12  VAL  35          2HG1      VAL  35  -3.740  -1.878  -2.369
  229   HG13  VAL  35          3HG1      VAL  35  -5.237  -2.580  -2.983
  230   HG21  VAL  35          3HG2      VAL  35  -4.914  -4.510  -4.497
  231   HG22  VAL  35          1HG2      VAL  35  -4.086  -5.859  -3.721
  232   HG23  VAL  35          2HG2      VAL  35  -3.209  -4.811  -4.836
  233    H    CYS  36           HN       CYS  36  -1.396  -1.461  -2.338
  234    HA   CYS  36           HA       CYS  36  -0.349  -1.765   0.294
  235    HB2  CYS  36           HB2      CYS  36  -0.167   0.161  -1.680
  236    HB3  CYS  36           HB1      CYS  36  -1.112   0.959  -0.428
  237    H    CYS  37           HN       CYS  37  -3.319  -2.335  -0.373
  238    HA   CYS  37           HA       CYS  37  -4.811  -0.493   1.213
  239    HB2  CYS  37           HB2      CYS  37  -5.337  -2.899  -0.358
  240    HB3  CYS  37           HB1      CYS  37  -6.309  -2.818   1.107
  241    H    GLU  38           HN       GLU  38  -6.043  -1.164   3.159
  242    HA   GLU  38           HA       GLU  38  -6.080  -1.790   5.344
  243    HB2  GLU  38           HB2      GLU  38  -4.695  -4.277   4.324
  244    HB3  GLU  38           HB1      GLU  38  -5.551  -4.118   5.852
  245    HG2  GLU  38           HG2      GLU  38  -6.745  -3.984   3.093
  246    HG3  GLU  38           HG1      GLU  38  -6.925  -5.287   4.266
  247    H    ASP  39           HN       ASP  39  -4.389  -3.143   7.001
  248    HA   ASP  39           HA       ASP  39  -1.715  -2.025   6.665
  249    HB2  ASP  39           HB2      ASP  39  -3.668  -0.738   8.246
  250    HB3  ASP  39           HB1      ASP  39  -2.569  -1.529   9.373
  251    H    HIS  40           HN       HIS  40  -0.821  -4.052   6.614
  252    HA   HIS  40           HA       HIS  40  -0.496  -5.369   9.148
  253    HD1  HIS  40           HD1      HIS  40  -3.566  -7.618   9.796
  254    HD2  HIS  40           HD2      HIS  40   0.407  -8.531   8.996
  255    HE1  HIS  40           HE1      HIS  40  -2.944  -9.413  11.444
  256    HE2  HIS  40           HE2      HIS  40  -0.561 -10.008  10.884
  257    HB2  HIS  40           HB2      HIS  40  -2.675  -6.250   7.956
  258    HB3  HIS  40           HB1      HIS  40  -1.523  -7.170   6.993
  259    H    ILE  41           HN       ILE  41  -0.081  -5.711   5.631
  260    HA   ILE  41           HA       ILE  41   2.751  -5.799   5.829
  261    HB   ILE  41           HB       ILE  41   1.875  -8.156   6.568
  262   HG12  ILE  41          2HG1      ILE  41   4.256  -7.357   6.037
  263   HG13  ILE  41          1HG1      ILE  41   3.945  -9.086   5.959
  264   HG21  ILE  41          1HG2      ILE  41   0.403  -8.441   4.607
  265   HG22  ILE  41          2HG2      ILE  41   1.574  -9.747   4.792
  266   HG23  ILE  41          3HG2      ILE  41   1.834  -8.497   3.576
  267   HD11  ILE  41          3HD1      ILE  41   5.295  -8.534   4.105
  268   HD12  ILE  41          1HD1      ILE  41   4.269  -7.166   3.675
  269   HD13  ILE  41          2HD1      ILE  41   3.672  -8.814   3.477
  270    H    HIS  42           HN       HIS  42  -0.185  -6.211   4.019
  271    HA   HIS  42           HA       HIS  42   0.753  -6.485   1.428
  272    HD1  HIS  42           HD1      HIS  42  -2.247  -6.694   4.167
  273    HD2  HIS  42           HD2      HIS  42  -1.991  -8.145   0.282
  274    HE1  HIS  42           HE1      HIS  42  -3.325  -8.965   4.226
  275    HE2  HIS  42           HE2      HIS  42  -3.077  -9.861   1.884
  276    HB2  HIS  42           HB2      HIS  42  -1.647  -4.900   2.363
  277    HB3  HIS  42           HB1      HIS  42  -1.375  -5.478   0.723
  278    H    CYS  43           HN       CYS  43   0.821  -4.854  -0.316
  279    HA   CYS  43           HA       CYS  43   1.198  -2.092   0.296
  280    HB2  CYS  43           HB2      CYS  43   3.538  -3.881   0.257
  281    HB3  CYS  43           HB1      CYS  43   3.701  -2.424  -0.714
  282    H    CYS  44           HN       CYS  44   2.167  -0.920  -1.683
  283    HA   CYS  44           HA       CYS  44   1.579  -2.347  -4.177
  284    HB2  CYS  44           HB2      CYS  44  -0.091  -0.335  -3.026
  285    HB3  CYS  44           HB1      CYS  44   0.648   0.327  -4.477
  286    HA   PRO  45           HA       PRO  45   5.378  -0.368  -5.352
  287    HB2  PRO  45           HB2      PRO  45   5.254  -0.819  -8.027
  288    HB3  PRO  45           HB1      PRO  45   5.665  -2.079  -6.860
  289    HG2  PRO  45           HG2      PRO  45   3.047  -1.514  -8.195
  290    HG3  PRO  45           HG1      PRO  45   3.841  -3.073  -7.904
  291    HD2  PRO  45           HD2      PRO  45   1.827  -2.155  -6.346
  292    HD3  PRO  45           HD1      PRO  45   3.144  -3.161  -5.707
  293    H    ALA  46           HN       ALA  46   6.152   1.420  -6.665
  294    HA   ALA  46           HA       ALA  46   6.008   3.580  -7.382
  295    HB1  ALA  46           HB1      ALA  46   4.257   2.023  -9.013
  296    HB2  ALA  46           HB2      ALA  46   5.223   3.434  -9.446
  297    HB3  ALA  46           HB3      ALA  46   3.592   3.644  -8.809
  298    H    GLY  47           HN       GLY  47   4.029   5.382  -7.781
  299    HA2  GLY  47           HA2      GLY  47   3.135   5.873  -5.073
  300    HA3  GLY  47           HA1      GLY  47   2.941   6.948  -6.452
  301    H    PHE  48           HN       PHE  48   1.898   3.612  -5.826
  302    HA   PHE  48           HA       PHE  48  -0.729   4.248  -6.877
  303    HD1  PHE  48           HD1      PHE  48   0.775   4.163  -8.362
  304    HD2  PHE  48           HD2      PHE  48   0.406  -0.065  -8.033
  305    HE1  PHE  48           HE1      PHE  48   1.770   3.907 -10.594
  306    HE2  PHE  48           HE2      PHE  48   1.406  -0.327 -10.263
  307    HZ   PHE  48           HZ       PHE  48   2.094   1.660 -11.545
  308    HB2  PHE  48           HB2      PHE  48   0.477   1.623  -5.988
  309    HB3  PHE  48           HB1      PHE  48  -1.109   1.803  -6.726
  310    H    THR  49           HN       THR  49  -2.593   4.252  -5.767
  311    HA   THR  49           HA       THR  49  -2.536   3.602  -2.899
  312    HB   THR  49           HB       THR  49  -4.400   5.749  -3.512
  313    HG1  THR  49           HG1      THR  49  -1.654   6.090  -4.126
  314   HG21  THR  49          3HG2      THR  49  -2.284   6.421  -1.675
  315   HG22  THR  49          1HG2      THR  49  -2.891   4.797  -1.352
  316   HG23  THR  49          2HG2      THR  49  -4.000   6.169  -1.359
  317    H    CYS  50           HN       CYS  50  -4.820   3.315  -2.038
  318    HA   CYS  50           HA       CYS  50  -6.267   1.651  -3.909
  319    HB2  CYS  50           HB2      CYS  50  -6.698   2.266  -0.984
  320    HB3  CYS  50           HB1      CYS  50  -7.762   1.225  -1.921
  321    H    ASP  51           HN       ASP  51  -8.081   2.144  -4.958
  322    HA   ASP  51           HA       ASP  51  -9.418   4.683  -4.290
  323    HB2  ASP  51           HB2      ASP  51  -8.771   3.469  -6.970
  324    HB3  ASP  51           HB1      ASP  51 -10.026   4.691  -6.785
  325    H    THR  52           HN       THR  52 -11.678   4.749  -5.341
  326    HA   THR  52           HA       THR  52 -13.821   4.003  -5.348
  327    HB   THR  52           HB       THR  52 -13.185   1.143  -5.653
  328    HG1  THR  52           HG1      THR  52 -12.496   1.707  -7.926
  329   HG21  THR  52          3HG2      THR  52 -15.250   2.895  -6.313
  330   HG22  THR  52          1HG2      THR  52 -15.109   1.202  -6.788
  331   HG23  THR  52          2HG2      THR  52 -14.511   2.470  -7.858
  332    H    GLN  53           HN       GLN  53 -11.902   3.653  -2.933
  333    HA   GLN  53           HA       GLN  53 -12.061   3.033  -0.755
  334    HB2  GLN  53           HB2      GLN  53 -14.625   3.776  -1.542
  335    HB3  GLN  53           HB1      GLN  53 -14.853   2.236  -0.723
  336    HG2  GLN  53           HG2      GLN  53 -13.133   4.251   0.603
  337    HG3  GLN  53           HG1      GLN  53 -14.869   4.556   0.561
  338   HE21  GLN  53          1HE2      GLN  53 -12.347   2.870   2.060
  339   HE22  GLN  53          2HE2      GLN  53 -13.301   1.891   3.116
  340    H    LYS  54           HN       LYS  54 -12.178   0.945  -3.154
  341    HA   LYS  54           HA       LYS  54 -12.776  -1.410  -1.506
  342    HB2  LYS  54           HB2      LYS  54 -13.943  -1.198  -3.692
  343    HB3  LYS  54           HB1      LYS  54 -12.381  -1.245  -4.499
  344    HG2  LYS  54           HG2      LYS  54 -12.011  -3.485  -3.881
  345    HG3  LYS  54           HG1      LYS  54 -13.321  -3.456  -2.699
  346    HD2  LYS  54           HD2      LYS  54 -14.243  -4.611  -4.499
  347    HD3  LYS  54           HD1      LYS  54 -14.841  -2.966  -4.723
  348    HE2  LYS  54           HE2      LYS  54 -12.461  -2.922  -6.081
  349    HE3  LYS  54           HE1      LYS  54 -13.043  -4.557  -6.389
  350    HZ1  LYS  54           HZ1      LYS  54 -15.134  -2.653  -6.673
  351    HZ2  LYS  54           HZ2      LYS  54 -14.557  -3.782  -7.793
  352    HZ3  LYS  54           HZ3      LYS  54 -13.828  -2.260  -7.675
  353    H    GLY  55           HN       GLY  55 -10.490  -0.704  -4.157
  354    HA2  GLY  55           HA2      GLY  55  -8.127  -0.939  -2.739
  355    HA3  GLY  55           HA1      GLY  55  -8.575  -2.577  -3.190
  356    H    THR  56           HN       THR  56  -9.123   0.365  -5.076
  357    HA   THR  56           HA       THR  56  -7.782  -0.857  -7.338
  358    HB   THR  56           HB       THR  56  -9.058   1.880  -7.161
  359    HG1  THR  56           HG1      THR  56 -10.282  -0.369  -6.939
  360   HG21  THR  56          3HG2      THR  56  -8.866   2.035  -9.451
  361   HG22  THR  56          1HG2      THR  56  -8.770   0.288  -9.671
  362   HG23  THR  56          2HG2      THR  56  -7.377   1.178  -9.055
  363    H    CYS  57           HN       CYS  57  -5.611  -0.812  -7.209
  364    HA   CYS  57           HA       CYS  57  -4.218   1.450  -6.082
  365    HB2  CYS  57           HB2      CYS  57  -3.577  -1.301  -6.755
  366    HB3  CYS  57           HB1      CYS  57  -2.321  -0.191  -7.288
  367    H    GLU  58           HN       GLU  58  -3.848   3.221  -7.196
  368    HA   GLU  58           HA       GLU  58  -2.745   3.050  -9.871
  369    HB2  GLU  58           HB2      GLU  58  -4.408   4.864 -10.634
  370    HB3  GLU  58           HB1      GLU  58  -4.966   3.198 -10.589
  371    HG2  GLU  58           HG2      GLU  58  -6.295   3.553  -8.732
  372    HG3  GLU  58           HG1      GLU  58  -5.403   4.993  -8.244
  373    H    GLN  59           HN       GLN  59  -2.181   5.314 -10.679
  374    HA   GLN  59           HA       GLN  59  -0.446   6.526  -8.877
  375    HB2  GLN  59           HB2      GLN  59  -1.646   7.966 -11.234
  376    HB3  GLN  59           HB1      GLN  59  -0.043   8.164 -10.539
  377    HG2  GLN  59           HG2      GLN  59   0.685   6.810 -12.132
  378    HG3  GLN  59           HG1      GLN  59  -0.116   5.502 -11.264
  379   HE21  GLN  59          1HE2      GLN  59  -0.558   7.920 -13.785
  380   HE22  GLN  59          2HE2      GLN  59  -1.750   7.042 -14.674
  381    H    LYS  60           HN       LYS  60  -1.257   7.227  -6.974
  382    HA   LYS  60           HA       LYS  60  -2.351   8.515  -5.457
  383    HB2  LYS  60           HB2      LYS  60  -1.589  10.217  -7.652
  384    HB3  LYS  60           HB1      LYS  60  -3.078  10.803  -6.926
  385    HG2  LYS  60           HG2      LYS  60  -0.940  10.056  -5.043
  386    HG3  LYS  60           HG1      LYS  60  -0.625  11.464  -6.058
  387    HD2  LYS  60           HD2      LYS  60  -2.879  12.339  -5.340
  388    HD3  LYS  60           HD1      LYS  60  -2.919  11.033  -4.155
  389    HE2  LYS  60           HE2      LYS  60  -2.108  12.982  -3.049
  390    HE3  LYS  60           HE1      LYS  60  -0.743  11.887  -3.266
  391    HZ1  LYS  60           HZ1      LYS  60  -0.550  13.334  -5.479
  392    HZ2  LYS  60           HZ2      LYS  60   0.224  13.753  -4.035
  393    HZ3  LYS  60           HZ3      LYS  60  -1.237  14.493  -4.453
  394    H    LEU  61           HN       LEU  61  -4.391  10.441  -5.810
  395    HA   LEU  61           HA       LEU  61  -6.641  10.676  -5.948
  396    HG   LEU  61           HG       LEU  61  -7.285  10.461  -9.539
  397    HB2  LEU  61           HB2      LEU  61  -6.049   8.866  -8.213
  398    HB3  LEU  61           HB1      LEU  61  -7.716   8.913  -7.674
  399   HD11  LEU  61          1HD1      LEU  61  -8.571  11.041  -7.084
  400   HD12  LEU  61          2HD1      LEU  61  -8.947  11.654  -8.695
  401   HD13  LEU  61          3HD1      LEU  61  -7.815  12.527  -7.663
  402   HD21  LEU  61          3HD2      LEU  61  -5.624  11.967  -9.584
  403   HD22  LEU  61          1HD2      LEU  61  -4.904  10.962  -8.328
  404   HD23  LEU  61          2HD2      LEU  61  -5.831  12.396  -7.886
  405    H    ALA  62           HN       ALA  62  -8.515   9.857  -5.030
  406    HA   ALA  62           HA       ALA  62  -8.658   7.079  -4.224
  407    HB1  ALA  62           HB1      ALA  62  -7.319   8.648  -2.508
  408    HB2  ALA  62           HB2      ALA  62  -8.315   7.285  -1.997
  409    HB3  ALA  62           HB3      ALA  62  -8.965   8.924  -1.936
  410    H    ALA  63           HN       ALA  63 -10.026  10.277  -3.454
  411    HA   ALA  63           HA       ALA  63 -12.146  11.081  -3.434
  412    HB1  ALA  63           HB1      ALA  63 -11.939   9.514  -5.758
  413    HB2  ALA  63           HB2      ALA  63 -13.067  10.830  -5.432
  414    HB3  ALA  63           HB3      ALA  63 -13.519   9.167  -5.054
  415    H    ALA  64           HN       ALA  64 -13.252   7.782  -3.986
  416    HA   ALA  64           HA       ALA  64 -15.211   7.757  -2.065
  417    HB1  ALA  64           HB1      ALA  64 -14.967   5.237  -2.140
  418    HB2  ALA  64           HB2      ALA  64 -13.609   5.500  -3.234
  419    HB3  ALA  64           HB3      ALA  64 -15.223   6.048  -3.685
  420    H    LEU  65           HN       LEU  65 -11.866   6.598  -1.701
  421    HA   LEU  65           HA       LEU  65 -12.127   5.747   0.972
  422    HG   LEU  65           HG       LEU  65 -10.597   4.306   1.390
  423    HB2  LEU  65           HB2      LEU  65 -10.165   5.633  -0.938
  424    HB3  LEU  65           HB1      LEU  65  -9.487   6.771   0.211
  425   HD11  LEU  65          1HD1      LEU  65  -7.905   4.001   0.196
  426   HD12  LEU  65          2HD1      LEU  65  -9.295   3.809  -0.871
  427   HD13  LEU  65          3HD1      LEU  65  -9.132   2.787   0.557
  428   HD21  LEU  65          3HD2      LEU  65  -7.837   5.128   1.914
  429   HD22  LEU  65          1HD2      LEU  65  -9.157   4.796   3.036
  430   HD23  LEU  65          2HD2      LEU  65  -9.043   6.371   2.250
  431    H    GLU  66           HN       GLU  66 -11.777   6.748   2.909
  432    HA   GLU  66           HA       GLU  66 -11.530   9.682   2.819
  433    HB2  GLU  66           HB2      GLU  66 -12.790   9.761   4.885
  434    HB3  GLU  66           HB1      GLU  66 -13.685   8.831   3.692
  435    HG2  GLU  66           HG2      GLU  66 -11.978   7.126   5.270
  436    HG3  GLU  66           HG1      GLU  66 -13.056   8.076   6.291
  437    H    HIS  67           HN       HIS  67 -11.023  10.173   5.482
  438    HA   HIS  67           HA       HIS  67  -8.234   9.389   5.653
  439    HD1  HIS  67           HD1      HIS  67  -7.089  11.592   8.818
  440    HD2  HIS  67           HD2      HIS  67  -7.060  11.882   4.674
  441    HE1  HIS  67           HE1      HIS  67  -4.813  12.479   8.223
  442    HE2  HIS  67           HE2      HIS  67  -4.855  12.740   5.718
  443    HB2  HIS  67           HB2      HIS  67  -9.591  11.716   6.254
  444    HB3  HIS  67           HB1      HIS  67  -9.286  11.022   7.843
  445    H    HIS  68           HN       HIS  68 -10.522   9.818   8.328
  446    HA   HIS  68           HA       HIS  68  -9.925   7.083   9.225
  447    HD1  HIS  68           HD1      HIS  68  -8.030   8.595  13.082
  448    HD2  HIS  68           HD2      HIS  68  -8.908   5.681  10.251
  449    HE1  HIS  68           HE1      HIS  68  -6.846   6.518  13.864
  450    HE2  HIS  68           HE2      HIS  68  -7.320   4.794  12.091
  451    HB2  HIS  68           HB2      HIS  68  -8.864   9.349  10.420
  452    HB3  HIS  68           HB1      HIS  68 -10.258   8.971  11.426
  453    H    HIS  69           HN       HIS  69 -11.927   9.936   9.985
  454    HA   HIS  69           HA       HIS  69 -14.283   8.193  10.009
  455    HD1  HIS  69           HD1      HIS  69 -12.497  11.591  12.107
  456    HD2  HIS  69           HD2      HIS  69 -12.275   7.741  13.652
  457    HE1  HIS  69           HE1      HIS  69 -10.435  11.562  13.548
  458    HE2  HIS  69           HE2      HIS  69 -10.259   9.190  14.376
  459    HB2  HIS  69           HB2      HIS  69 -14.762  10.103  12.012
  460    HB3  HIS  69           HB1      HIS  69 -14.507   8.375  12.230
  461    H    HIS  70           HN       HIS  70 -15.443   8.966   8.363
  462    HA   HIS  70           HA       HIS  70 -15.365  11.732   7.600
  463    HD1  HIS  70           HD1      HIS  70 -17.999  11.036   4.202
  464    HD2  HIS  70           HD2      HIS  70 -14.183  12.026   5.517
  465    HE1  HIS  70           HE1      HIS  70 -17.086  12.625   2.480
  466    HE2  HIS  70           HE2      HIS  70 -14.815  13.286   3.348
  467    HB2  HIS  70           HB2      HIS  70 -15.902   9.394   6.268
  468    HB3  HIS  70           HB1      HIS  70 -17.509  10.089   6.446
  469    H    HIS  71           HN       HIS  71 -18.488  10.268   7.447
  470    HA   HIS  71           HA       HIS  71 -19.431  11.938   9.676
  471    HD1  HIS  71           HD1      HIS  71 -21.729  14.304   9.328
  472    HD2  HIS  71           HD2      HIS  71 -18.449  14.161   6.780
  473    HE1  HIS  71           HE1      HIS  71 -20.830  16.652   9.255
  474    HE2  HIS  71           HE2      HIS  71 -18.820  16.533   7.740
  475    HB2  HIS  71           HB2      HIS  71 -20.270  11.986   6.827
  476    HB3  HIS  71           HB1      HIS  71 -21.548  12.116   8.031
  477    H    HIS  72           HN       HIS  72 -20.382   9.387   7.379
  478    HA   HIS  72           HA       HIS  72 -21.224   7.658   9.496
  479    HD1  HIS  72           HD1      HIS  72 -22.345   7.706  11.259
  480    HD2  HIS  72           HD2      HIS  72 -25.700   7.094   8.886
  481    HE1  HIS  72           HE1      HIS  72 -23.956   6.414  12.694
  482    HE2  HIS  72           HE2      HIS  72 -25.946   5.984  11.209
  483    HB2  HIS  72           HB2      HIS  72 -23.133   9.465   8.834
  484    HB3  HIS  72           HB1      HIS  72 -23.502   8.183   7.683
  Start of MODEL    9
    1    HA   ALA   1           HA       ALA   1  23.348  -3.726  -5.900
    2    H1   ALA   1           HT1      ALA   1  25.534  -2.551  -6.518
    3    H2   ALA   1           HT2      ALA   1  24.599  -1.762  -7.685
    4    H3   ALA   1           HT3      ALA   1  24.714  -3.449  -7.694
    5    HB1  ALA   1           HB1      ALA   1  24.714  -2.028  -4.577
    6    HB2  ALA   1           HB2      ALA   1  23.004  -2.177  -4.171
    7    HB3  ALA   1           HB3      ALA   1  23.563  -0.824  -5.156
    8    H    MET   2           HN       MET   2  22.123  -3.940  -7.935
    9    HA   MET   2           HA       MET   2  20.435  -1.668  -8.629
   10    HB2  MET   2           HB2      MET   2  21.574  -3.319 -10.292
   11    HB3  MET   2           HB1      MET   2  20.230  -4.380  -9.894
   12    HG2  MET   2           HG2      MET   2  19.094  -3.361 -11.498
   13    HG3  MET   2           HG1      MET   2  19.021  -1.955 -10.437
   14    HE1  MET   2           HE1      MET   2  18.971  -2.239 -13.753
   15    HE2  MET   2           HE2      MET   2  20.292  -3.408 -13.753
   16    HE3  MET   2           HE3      MET   2  20.504  -1.837 -14.526
   17    H    ASP   3           HN       ASP   3  18.935  -1.418  -7.043
   18    HA   ASP   3           HA       ASP   3  17.031  -3.630  -6.695
   19    HB2  ASP   3           HB2      ASP   3  16.783  -2.778  -4.282
   20    HB3  ASP   3           HB1      ASP   3  18.213  -3.730  -4.662
   21    H    VAL   4           HN       VAL   4  14.983  -2.721  -5.510
   22    HA   VAL   4           HA       VAL   4  13.987  -0.603  -7.175
   23    HB   VAL   4           HB       VAL   4  12.523  -1.724  -4.798
   24   HG11  VAL   4          1HG1      VAL   4  10.584  -1.376  -6.391
   25   HG12  VAL   4          2HG1      VAL   4  11.716  -0.501  -7.424
   26   HG13  VAL   4          3HG1      VAL   4  11.377   0.083  -5.794
   27   HG21  VAL   4          3HG2      VAL   4  12.616  -2.975  -7.541
   28   HG22  VAL   4          1HG2      VAL   4  11.710  -3.547  -6.141
   29   HG23  VAL   4          2HG2      VAL   4  13.472  -3.595  -6.130
   30    H    LYS   5           HN       LYS   5  15.112   1.251  -6.652
   31    HA   LYS   5           HA       LYS   5  15.042   2.203  -3.893
   32    HB2  LYS   5           HB2      LYS   5  16.788   2.575  -6.157
   33    HB3  LYS   5           HB1      LYS   5  16.255   4.133  -5.539
   34    HG2  LYS   5           HG2      LYS   5  17.313   3.861  -3.532
   35    HG3  LYS   5           HG1      LYS   5  17.231   2.099  -3.604
   36    HD2  LYS   5           HD2      LYS   5  19.506   2.658  -3.925
   37    HD3  LYS   5           HD1      LYS   5  18.881   2.231  -5.519
   38    HE2  LYS   5           HE2      LYS   5  18.549   4.644  -5.981
   39    HE3  LYS   5           HE1      LYS   5  19.302   5.012  -4.430
   40    HZ1  LYS   5           HZ1      LYS   5  20.800   5.131  -6.413
   41    HZ2  LYS   5           HZ2      LYS   5  20.660   3.451  -6.554
   42    HZ3  LYS   5           HZ3      LYS   5  21.350   4.129  -5.166
   43    H    CYS   6           HN       CYS   6  13.687   3.707  -3.185
   44    HA   CYS   6           HA       CYS   6  12.146   5.257  -5.162
   45    HB2  CYS   6           HB2      CYS   6  11.305   3.810  -2.702
   46    HB3  CYS   6           HB1      CYS   6  10.525   5.355  -3.025
   47    H    ASP   7           HN       ASP   7  12.588   7.359  -5.114
   48    HA   ASP   7           HA       ASP   7  13.231   9.425  -4.412
   49    HB2  ASP   7           HB2      ASP   7  11.421   8.680  -2.590
   50    HB3  ASP   7           HB1      ASP   7  12.829   8.767  -1.535
   51    H    MET   8           HN       MET   8  14.530  10.187  -1.978
   52    HA   MET   8           HA       MET   8  17.056   8.689  -2.242
   53    HB2  MET   8           HB2      MET   8  17.123  11.513  -1.328
   54    HB3  MET   8           HB1      MET   8  18.278  10.622  -2.308
   55    HG2  MET   8           HG2      MET   8  17.240  11.134  -4.254
   56    HG3  MET   8           HG1      MET   8  15.640  11.189  -3.517
   57    HE1  MET   8           HE1      MET   8  14.782  12.931  -4.607
   58    HE2  MET   8           HE2      MET   8  15.976  13.866  -5.506
   59    HE3  MET   8           HE3      MET   8  15.029  14.637  -4.234
   60    H    GLU   9           HN       GLU   9  15.209   7.840  -0.386
   61    HA   GLU   9           HA       GLU   9  16.715   8.101   2.040
   62    HB2  GLU   9           HB2      GLU   9  14.282   9.687   1.650
   63    HB3  GLU   9           HB1      GLU   9  14.250   8.701   3.105
   64    HG2  GLU   9           HG2      GLU   9  16.790   9.993   2.886
   65    HG3  GLU   9           HG1      GLU   9  15.500  11.183   2.718
   66    H    VAL  10           HN       VAL  10  15.570   6.096   0.092
   67    HA   VAL  10           HA       VAL  10  14.680   4.215   2.122
   68    HB   VAL  10           HB       VAL  10  12.765   5.457   0.546
   69   HG11  VAL  10          1HG1      VAL  10  13.469   4.195  -1.422
   70   HG12  VAL  10          2HG1      VAL  10  11.856   3.710  -0.898
   71   HG13  VAL  10          3HG1      VAL  10  13.246   2.684  -0.540
   72   HG21  VAL  10          3HG2      VAL  10  11.268   4.170   1.732
   73   HG22  VAL  10          1HG2      VAL  10  12.710   4.052   2.741
   74   HG23  VAL  10          2HG2      VAL  10  12.284   2.729   1.655
   75    H    SER  11           HN       SER  11  14.719   1.974   1.367
   76    HA   SER  11           HA       SER  11  16.080   1.434  -1.137
   77    HG   SER  11           HG       SER  11  18.078  -0.790   0.953
   78    HB2  SER  11           HB2      SER  11  18.057   1.756   0.063
   79    HB3  SER  11           HB1      SER  11  17.380   1.089   1.547
   80    H    CYS  12           HN       CYS  12  14.266   0.253  -1.694
   81    HA   CYS  12           HA       CYS  12  13.658  -2.111  -0.056
   82    HB2  CYS  12           HB2      CYS  12  11.981  -1.207  -2.376
   83    HB3  CYS  12           HB1      CYS  12  11.500  -2.116  -0.947
   84    HA   PRO  13           HA       PRO  13  15.938  -3.983  -3.540
   85    HB2  PRO  13           HB2      PRO  13  17.072  -5.979  -2.160
   86    HB3  PRO  13           HB1      PRO  13  17.679  -4.319  -2.053
   87    HG2  PRO  13           HG2      PRO  13  15.878  -5.796  -0.166
   88    HG3  PRO  13           HG1      PRO  13  17.286  -4.785   0.200
   89    HD2  PRO  13           HD2      PRO  13  14.715  -3.887   0.367
   90    HD3  PRO  13           HD1      PRO  13  16.094  -2.832  -0.003
   91    H    ASP  14           HN       ASP  14  16.228  -6.682  -3.677
   92    HA   ASP  14           HA       ASP  14  13.839  -7.577  -4.720
   93    HB2  ASP  14           HB2      ASP  14  16.375  -8.889  -3.902
   94    HB3  ASP  14           HB1      ASP  14  14.988  -9.933  -4.199
   95    H    GLY  15           HN       GLY  15  12.035  -8.447  -3.956
   96    HA2  GLY  15           HA2      GLY  15  10.699  -9.724  -2.517
   97    HA3  GLY  15           HA1      GLY  15  12.009  -9.736  -1.347
   98    H    TYR  16           HN       TYR  16  11.774  -6.614  -2.303
   99    HA   TYR  16           HA       TYR  16   9.917  -5.982  -0.100
  100    HD1  TYR  16           HD1      TYR  16  13.665  -6.521  -0.490
  101    HD2  TYR  16           HD2      TYR  16  11.308  -4.392   2.339
  102    HE1  TYR  16           HE1      TYR  16  14.908  -7.590   1.335
  103    HE2  TYR  16           HE2      TYR  16  12.547  -5.449   4.178
  104    HH   TYR  16           HH       TYR  16  15.439  -7.160   3.704
  105    HB2  TYR  16           HB2      TYR  16  12.339  -4.487  -1.110
  106    HB3  TYR  16           HB1      TYR  16  11.195  -3.820   0.051
  107    H    THR  17           HN       THR  17   8.631  -4.086  -0.282
  108    HA   THR  17           HA       THR  17   8.124  -3.235  -3.056
  109    HB   THR  17           HB       THR  17   6.295  -4.684  -2.199
  110    HG1  THR  17           HG1      THR  17   5.852  -1.962  -2.815
  111   HG21  THR  17          3HG2      THR  17   4.780  -3.740  -0.472
  112   HG22  THR  17          1HG2      THR  17   5.973  -2.479  -0.163
  113   HG23  THR  17          2HG2      THR  17   6.371  -4.166   0.159
  114    H    CYS  18           HN       CYS  18   7.609  -1.059  -3.371
  115    HA   CYS  18           HA       CYS  18   8.382   0.674  -1.132
  116    HB2  CYS  18           HB2      CYS  18   9.836   1.276  -2.777
  117    HB3  CYS  18           HB1      CYS  18   8.752   0.778  -4.068
  118    H    CYS  19           HN       CYS  19   6.737   1.522  -0.060
  119    HA   CYS  19           HA       CYS  19   4.528   2.725  -1.578
  120    HB2  CYS  19           HB2      CYS  19   3.966   1.318   1.013
  121    HB3  CYS  19           HB1      CYS  19   2.844   1.777  -0.261
  122    H    ARG  20           HN       ARG  20   3.821   4.660  -0.789
  123    HA   ARG  20           HA       ARG  20   5.464   6.102   0.989
  124    HE   ARG  20           HE       ARG  20   6.391  10.292  -1.109
  125    HB2  ARG  20           HB2      ARG  20   2.828   6.578  -0.323
  126    HB3  ARG  20           HB1      ARG  20   3.294   7.634   1.002
  127    HG2  ARG  20           HG2      ARG  20   5.160   7.155  -1.284
  128    HG3  ARG  20           HG1      ARG  20   3.844   8.321  -1.424
  129    HD2  ARG  20           HD2      ARG  20   4.867   9.076   0.938
  130    HD3  ARG  20           HD1      ARG  20   6.321   8.423   0.183
  131   HH11  ARG  20          1HH1      ARG  20   3.095   9.826  -0.068
  132   HH12  ARG  20          2HH1      ARG  20   2.521  11.283  -0.807
  133   HH21  ARG  20          1HH2      ARG  20   5.642  12.211  -2.082
  134   HH22  ARG  20          2HH2      ARG  20   3.969  12.638  -1.953
  135    H    LEU  21           HN       LEU  21   4.970   6.935   3.088
  136    HA   LEU  21           HA       LEU  21   3.258   5.116   4.640
  137    HG   LEU  21           HG       LEU  21   6.211   4.789   4.266
  138    HB2  LEU  21           HB2      LEU  21   5.537   6.875   5.550
  139    HB3  LEU  21           HB1      LEU  21   4.595   5.824   6.590
  140   HD11  LEU  21          1HD1      LEU  21   7.371   6.043   6.337
  141   HD12  LEU  21          2HD1      LEU  21   8.087   4.659   5.511
  142   HD13  LEU  21          3HD1      LEU  21   7.204   4.426   7.019
  143   HD21  LEU  21          3HD2      LEU  21   4.742   3.566   6.570
  144   HD22  LEU  21          1HD2      LEU  21   6.097   2.723   5.817
  145   HD23  LEU  21          2HD2      LEU  21   4.679   3.151   4.858
  146    H    GLN  22           HN       GLN  22   4.356   8.103   6.006
  147    HA   GLN  22           HA       GLN  22   1.583   8.986   6.244
  148    HB2  GLN  22           HB2      GLN  22   2.726  10.751   7.770
  149    HB3  GLN  22           HB1      GLN  22   2.587   9.095   8.342
  150    HG2  GLN  22           HG2      GLN  22   4.880   8.653   7.803
  151    HG3  GLN  22           HG1      GLN  22   5.045  10.230   7.033
  152   HE21  GLN  22          1HE2      GLN  22   5.883   8.594   9.668
  153   HE22  GLN  22          2HE2      GLN  22   5.959   9.868  10.832
  154    H    SER  23           HN       SER  23   2.956   9.150   3.714
  155    HA   SER  23           HA       SER  23   3.194  10.574   1.959
  156    HG   SER  23           HG       SER  23   2.221  11.992   0.906
  157    HB2  SER  23           HB2      SER  23   1.005  11.468   3.185
  158    HB3  SER  23           HB1      SER  23   2.038  12.871   3.462
  159    H    GLY  24           HN       GLY  24   4.929  10.684   4.588
  160    HA2  GLY  24           HA2      GLY  24   6.363  13.175   3.942
  161    HA3  GLY  24           HA1      GLY  24   6.452  12.319   5.475
  162    H    ALA  25           HN       ALA  25   6.533   9.800   3.670
  163    HA   ALA  25           HA       ALA  25   9.039   9.884   2.331
  164    HB1  ALA  25           HB1      ALA  25  10.141   8.243   3.978
  165    HB2  ALA  25           HB2      ALA  25   8.978   8.865   5.150
  166    HB3  ALA  25           HB3      ALA  25  10.133   9.958   4.389
  167    H    TRP  26           HN       TRP  26   9.854   7.437   2.114
  168    HA   TRP  26           HA       TRP  26   7.462   5.912   1.351
  169    HD1  TRP  26           HD1      TRP  26  10.262   8.204  -0.720
  170    HE1  TRP  26           HE1      TRP  26   8.955   9.219  -2.692
  171    HE3  TRP  26           HE3      TRP  26   6.737   4.554  -1.321
  172    HZ2  TRP  26           HZ2      TRP  26   6.725   8.558  -4.290
  173    HZ3  TRP  26           HZ3      TRP  26   5.053   4.820  -3.093
  174    HH2  TRP  26           HH2      TRP  26   5.049   6.783  -4.544
  175    HB2  TRP  26           HB2      TRP  26  10.308   5.779   0.345
  176    HB3  TRP  26           HB1      TRP  26   9.046   4.651  -0.134
  177    H    GLY  27           HN       GLY  27   7.723   3.497   1.447
  178    HA2  GLY  27           HA2      GLY  27   9.424   2.650   3.692
  179    HA3  GLY  27           HA1      GLY  27   7.698   2.334   3.763
  180    H    CYS  28           HN       CYS  28  10.096   0.551   3.677
  181    HA   CYS  28           HA       CYS  28   9.520  -0.951   1.218
  182    HB2  CYS  28           HB2      CYS  28  11.825  -1.299   3.143
  183    HB3  CYS  28           HB1      CYS  28  11.629  -2.097   1.586
  184    H    CYS  29           HN       CYS  29   8.250  -2.666   1.357
  185    HA   CYS  29           HA       CYS  29   8.075  -4.064   3.948
  186    HB2  CYS  29           HB2      CYS  29   6.045  -2.718   3.380
  187    HB3  CYS  29           HB1      CYS  29   5.829  -3.727   1.955
  188    HA   PRO  30           HA       PRO  30   9.277  -7.551   1.416
  189    HB2  PRO  30           HB2      PRO  30   9.456  -9.375   3.373
  190    HB3  PRO  30           HB1      PRO  30  10.641  -8.074   3.214
  191    HG2  PRO  30           HG2      PRO  30   8.304  -8.294   5.072
  192    HG3  PRO  30           HG1      PRO  30   9.948  -7.718   5.403
  193    HD2  PRO  30           HD2      PRO  30   7.807  -6.065   4.934
  194    HD3  PRO  30           HD1      PRO  30   9.496  -5.615   4.622
  195    H    PHE  31           HN       PHE  31   6.641  -6.927   1.116
  196    HA   PHE  31           HA       PHE  31   4.802  -8.821   2.084
  197    HD1  PHE  31           HD1      PHE  31   6.467  -6.870  -0.943
  198    HD2  PHE  31           HD2      PHE  31   2.363  -7.904  -1.397
  199    HE1  PHE  31           HE1      PHE  31   6.700  -6.709  -3.387
  200    HE2  PHE  31           HE2      PHE  31   2.590  -7.746  -3.842
  201    HZ   PHE  31           HZ       PHE  31   4.761  -7.149  -4.839
  202    HB2  PHE  31           HB2      PHE  31   3.242  -7.799   0.708
  203    HB3  PHE  31           HB1      PHE  31   4.430  -6.516   0.909
  204    H    THR  32           HN       THR  32   3.493 -10.205   0.510
  205    HA   THR  32           HA       THR  32   5.173 -11.565  -1.464
  206    HB   THR  32           HB       THR  32   4.461 -13.783  -0.625
  207    HG1  THR  32           HG1      THR  32   2.811 -13.708   0.705
  208   HG21  THR  32          3HG2      THR  32   5.779 -12.342   1.655
  209   HG22  THR  32          1HG2      THR  32   6.607 -12.558   0.113
  210   HG23  THR  32          2HG2      THR  32   6.090 -13.966   1.042
  211    H    GLN  33           HN       GLN  33   3.495  -9.996  -2.495
  212    HA   GLN  33           HA       GLN  33   1.691  -9.734  -3.848
  213    HB2  GLN  33           HB2      GLN  33   2.535 -12.103  -4.526
  214    HB3  GLN  33           HB1      GLN  33   1.115 -12.675  -3.662
  215    HG2  GLN  33           HG2      GLN  33  -0.143 -10.954  -5.156
  216    HG3  GLN  33           HG1      GLN  33   1.289 -11.081  -6.174
  217   HE21  GLN  33          1HE2      GLN  33  -1.671 -12.458  -5.323
  218   HE22  GLN  33          2HE2      GLN  33  -1.532 -13.925  -6.224
  219    H    ALA  34           HN       ALA  34   1.214  -9.104  -1.285
  220    HA   ALA  34           HA       ALA  34  -1.587  -9.870  -0.960
  221    HB1  ALA  34           HB1      ALA  34  -0.613 -11.363   0.561
  222    HB2  ALA  34           HB2      ALA  34  -1.178 -10.013   1.544
  223    HB3  ALA  34           HB3      ALA  34   0.533 -10.154   1.140
  224    H    VAL  35           HN       VAL  35   0.594  -8.085   1.157
  225    HA   VAL  35           HA       VAL  35  -1.123  -5.718   0.801
  226    HB   VAL  35           HB       VAL  35   0.612  -5.644   3.143
  227   HG11  VAL  35          1HG1      VAL  35  -2.016  -4.821   2.292
  228   HG12  VAL  35          2HG1      VAL  35  -1.010  -4.196   3.601
  229   HG13  VAL  35          3HG1      VAL  35  -2.077  -5.571   3.887
  230   HG21  VAL  35          3HG2      VAL  35  -0.417  -7.356   4.442
  231   HG22  VAL  35          1HG2      VAL  35   0.180  -8.108   2.962
  232   HG23  VAL  35          2HG2      VAL  35  -1.539  -7.754   3.140
  233    H    CYS  36           HN       CYS  36   0.320  -3.760   1.885
  234    HA   CYS  36           HA       CYS  36   3.033  -3.610   1.098
  235    HB2  CYS  36           HB2      CYS  36   2.861  -3.071  -1.070
  236    HB3  CYS  36           HB1      CYS  36   1.105  -3.104  -0.974
  237    H    CYS  37           HN       CYS  37   0.067  -2.218   2.142
  238    HA   CYS  37           HA       CYS  37   1.154   0.345   2.859
  239    HB2  CYS  37           HB2      CYS  37  -1.181   0.035   4.320
  240    HB3  CYS  37           HB1      CYS  37  -1.043   0.784   2.735
  241    H    GLU  38           HN       GLU  38   2.396   0.710   4.558
  242    HA   GLU  38           HA       GLU  38   2.642  -1.275   6.650
  243    HB2  GLU  38           HB2      GLU  38   4.559   0.047   5.556
  244    HB3  GLU  38           HB1      GLU  38   4.048   1.383   6.578
  245    HG2  GLU  38           HG2      GLU  38   4.851   0.434   8.458
  246    HG3  GLU  38           HG1      GLU  38   4.469  -1.203   7.929
  247    H    ASP  39           HN       ASP  39   1.988  -1.099   8.726
  248    HA   ASP  39           HA       ASP  39   0.258   1.183   9.373
  249    HB2  ASP  39           HB2      ASP  39  -0.856  -0.956   9.549
  250    HB3  ASP  39           HB1      ASP  39   0.435  -1.591  10.566
  251    H    HIS  40           HN       HIS  40   2.743  -0.899  10.835
  252    HA   HIS  40           HA       HIS  40   3.624   1.404  12.425
  253    HD1  HIS  40           HD1      HIS  40   3.693   2.397  14.137
  254    HD2  HIS  40           HD2      HIS  40   4.146  -1.078  16.371
  255    HE1  HIS  40           HE1      HIS  40   4.555   3.146  16.377
  256    HE2  HIS  40           HE2      HIS  40   4.745   1.034  17.739
  257    HB2  HIS  40           HB2      HIS  40   2.173  -0.378  13.685
  258    HB3  HIS  40           HB1      HIS  40   3.654  -1.330  13.653
  259    H    ILE  41           HN       ILE  41   4.513  -2.013  11.861
  260    HA   ILE  41           HA       ILE  41   7.159  -1.097  10.979
  261    HB   ILE  41           HB       ILE  41   7.260  -3.599  12.492
  262   HG12  ILE  41          2HG1      ILE  41   7.433  -1.812  14.588
  263   HG13  ILE  41          1HG1      ILE  41   6.028  -1.232  13.700
  264   HG21  ILE  41          1HG2      ILE  41   9.373  -2.947  12.184
  265   HG22  ILE  41          2HG2      ILE  41   9.097  -1.857  13.543
  266   HG23  ILE  41          3HG2      ILE  41   8.908  -1.273  11.890
  267   HD11  ILE  41          3HD1      ILE  41   6.127  -4.132  14.167
  268   HD12  ILE  41          1HD1      ILE  41   4.776  -3.004  14.275
  269   HD13  ILE  41          2HD1      ILE  41   5.933  -3.124  15.600
  270    H    HIS  42           HN       HIS  42   4.464  -3.056  10.511
  271    HA   HIS  42           HA       HIS  42   5.771  -4.377   8.264
  272    HD1  HIS  42           HD1      HIS  42   4.455  -8.577   9.430
  273    HD2  HIS  42           HD2      HIS  42   6.954  -5.981   7.360
  274    HE1  HIS  42           HE1      HIS  42   5.594  -9.987   7.689
  275    HE2  HIS  42           HE2      HIS  42   7.035  -8.377   6.391
  276    HB2  HIS  42           HB2      HIS  42   5.664  -5.812  10.502
  277    HB3  HIS  42           HB1      HIS  42   4.021  -6.109   9.946
  278    H    CYS  43           HN       CYS  43   4.135  -5.538   6.876
  279    HA   CYS  43           HA       CYS  43   1.897  -3.779   6.437
  280    HB2  CYS  43           HB2      CYS  43   2.955  -6.199   4.984
  281    HB3  CYS  43           HB1      CYS  43   1.467  -5.392   4.503
  282    H    CYS  44           HN       CYS  44   0.954  -4.362   8.585
  283    HA   CYS  44           HA       CYS  44  -0.655  -5.350   9.844
  284    HB2  CYS  44           HB2      CYS  44  -1.787  -6.867   7.557
  285    HB3  CYS  44           HB1      CYS  44  -2.598  -5.874   8.761
  286    HA   PRO  45           HA       PRO  45   1.504  -9.320  10.335
  287    HB2  PRO  45           HB2      PRO  45   1.400  -9.384  13.021
  288    HB3  PRO  45           HB1      PRO  45   2.560  -8.366  12.156
  289    HG2  PRO  45           HG2      PRO  45  -0.053  -7.614  13.410
  290    HG3  PRO  45           HG1      PRO  45   1.500  -6.762  13.468
  291    HD2  PRO  45           HD2      PRO  45  -0.528  -6.068  11.781
  292    HD3  PRO  45           HD1      PRO  45   1.186  -5.790  11.412
  293    H    ALA  46           HN       ALA  46  -1.005  -9.547   9.389
  294    HA   ALA  46           HA       ALA  46  -2.800 -10.930   9.334
  295    HB1  ALA  46           HB1      ALA  46  -2.777 -12.957  10.718
  296    HB2  ALA  46           HB2      ALA  46  -1.413 -12.307  11.628
  297    HB3  ALA  46           HB3      ALA  46  -1.230 -12.684   9.915
  298    H    GLY  47           HN       GLY  47  -4.863 -11.148  10.211
  299    HA2  GLY  47           HA2      GLY  47  -6.522 -10.923  11.862
  300    HA3  GLY  47           HA1      GLY  47  -5.331 -10.184  12.923
  301    H    PHE  48           HN       PHE  48  -4.543  -8.418  10.572
  302    HA   PHE  48           HA       PHE  48  -6.827  -6.571  10.705
  303    HD1  PHE  48           HD2      PHE  48  -6.367  -5.663  13.456
  304    HD2  PHE  48           HD1      PHE  48  -2.575  -6.836  11.920
  305    HE1  PHE  48           HE2      PHE  48  -5.701  -6.437  15.698
  306    HE2  PHE  48           HE1      PHE  48  -1.904  -7.615  14.156
  307    HZ   PHE  48           HZ       PHE  48  -3.468  -7.415  16.049
  308    HB2  PHE  48           HB2      PHE  48  -4.029  -5.530  10.604
  309    HB3  PHE  48           HB1      PHE  48  -5.474  -4.796  11.295
  310    H    THR  49           HN       THR  49  -6.821  -4.916   9.003
  311    HA   THR  49           HA       THR  49  -5.396  -5.702   6.561
  312    HB   THR  49           HB       THR  49  -8.188  -4.814   6.164
  313    HG1  THR  49           HG1      THR  49  -8.466  -7.374   6.427
  314   HG21  THR  49          3HG2      THR  49  -7.482  -7.209   4.793
  315   HG22  THR  49          1HG2      THR  49  -6.123  -6.090   4.697
  316   HG23  THR  49          2HG2      THR  49  -7.718  -5.591   4.132
  317    H    CYS  50           HN       CYS  50  -5.714  -3.996   4.821
  318    HA   CYS  50           HA       CYS  50  -5.114  -1.398   5.967
  319    HB2  CYS  50           HB2      CYS  50  -5.053  -2.532   3.172
  320    HB3  CYS  50           HB1      CYS  50  -4.782  -0.823   3.488
  321    H    ASP  51           HN       ASP  51  -6.641  -0.003   6.433
  322    HA   ASP  51           HA       ASP  51  -8.549   0.954   4.624
  323    HB2  ASP  51           HB2      ASP  51  -9.407  -1.441   5.323
  324    HB3  ASP  51           HB1      ASP  51  -9.949  -0.586   6.764
  325    H    THR  52           HN       THR  52 -10.525   1.895   6.120
  326    HA   THR  52           HA       THR  52 -11.168   3.050   8.038
  327    HB   THR  52           HB       THR  52  -8.741   2.252   9.019
  328    HG1  THR  52           HG1      THR  52 -10.320   2.468  10.468
  329   HG21  THR  52          3HG2      THR  52  -7.389   4.053   9.614
  330   HG22  THR  52          1HG2      THR  52  -8.656   5.238   9.294
  331   HG23  THR  52          2HG2      THR  52  -7.837   4.438   7.952
  332    H    GLN  53           HN       GLN  53  -8.575   4.074   5.894
  333    HA   GLN  53           HA       GLN  53 -10.006   6.289   4.962
  334    HB2  GLN  53           HB2      GLN  53  -8.835   6.796   7.454
  335    HB3  GLN  53           HB1      GLN  53  -7.796   7.596   6.283
  336    HG2  GLN  53           HG2      GLN  53  -9.245   9.245   6.046
  337    HG3  GLN  53           HG1      GLN  53 -10.532   8.110   5.637
  338   HE21  GLN  53          1HE2      GLN  53  -8.689   8.709   8.607
  339   HE22  GLN  53          2HE2      GLN  53 -10.067   8.993   9.610
  340    H    LYS  54           HN       LYS  54  -7.425   4.193   4.832
  341    HA   LYS  54           HA       LYS  54  -6.563   5.225   2.322
  342    HB2  LYS  54           HB2      LYS  54  -5.415   6.756   3.994
  343    HB3  LYS  54           HB1      LYS  54  -4.491   5.347   4.509
  344    HG2  LYS  54           HG2      LYS  54  -4.405   5.643   1.643
  345    HG3  LYS  54           HG1      LYS  54  -3.869   7.117   2.452
  346    HD2  LYS  54           HD2      LYS  54  -2.043   6.111   3.371
  347    HD3  LYS  54           HD1      LYS  54  -2.838   4.541   3.496
  348    HE2  LYS  54           HE2      LYS  54  -2.676   4.382   0.990
  349    HE3  LYS  54           HE1      LYS  54  -1.657   5.821   1.038
  350    HZ1  LYS  54           HZ1      LYS  54   0.083   4.599   1.618
  351    HZ2  LYS  54           HZ2      LYS  54  -0.842   3.213   1.332
  352    HZ3  LYS  54           HZ3      LYS  54  -0.756   3.864   2.891
  353    H    GLY  55           HN       GLY  55  -5.640   3.254   5.108
  354    HA2  GLY  55           HA2      GLY  55  -5.800   0.778   4.130
  355    HA3  GLY  55           HA1      GLY  55  -4.298   1.331   3.400
  356    H    THR  56           HN       THR  56  -5.658   1.952   6.614
  357    HA   THR  56           HA       THR  56  -3.110   1.270   7.822
  358    HB   THR  56           HB       THR  56  -3.916   2.197   9.820
  359    HG1  THR  56           HG1      THR  56  -5.898   1.849  10.468
  360   HG21  THR  56          3HG2      THR  56  -5.278   4.257   9.062
  361   HG22  THR  56          1HG2      THR  56  -5.081   3.600   7.437
  362   HG23  THR  56          2HG2      THR  56  -3.662   4.028   8.394
  363    H    CYS  57           HN       CYS  57  -2.688  -0.528   9.056
  364    HA   CYS  57           HA       CYS  57  -4.497  -2.754   8.720
  365    HB2  CYS  57           HB2      CYS  57  -1.914  -2.745  10.278
  366    HB3  CYS  57           HB1      CYS  57  -2.737  -4.127   9.565
  367    H    GLU  58           HN       GLU  58  -6.230  -2.772  10.004
  368    HA   GLU  58           HA       GLU  58  -5.750  -2.693  12.903
  369    HB2  GLU  58           HB2      GLU  58  -8.241  -1.470  11.754
  370    HB3  GLU  58           HB1      GLU  58  -7.536  -1.244  13.349
  371    HG2  GLU  58           HG2      GLU  58  -5.951  -0.353  11.012
  372    HG3  GLU  58           HG1      GLU  58  -7.374   0.590  11.449
  373    H    GLN  59           HN       GLN  59  -7.536  -3.652  14.169
  374    HA   GLN  59           HA       GLN  59  -8.323  -6.144  12.976
  375    HB2  GLN  59           HB2      GLN  59  -7.653  -5.469  15.492
  376    HB3  GLN  59           HB1      GLN  59  -9.404  -5.371  15.626
  377    HG2  GLN  59           HG2      GLN  59  -9.686  -7.633  15.111
  378    HG3  GLN  59           HG1      GLN  59  -8.049  -7.781  14.474
  379   HE21  GLN  59          1HE2      GLN  59  -9.599  -9.169  16.656
  380   HE22  GLN  59          2HE2      GLN  59  -8.546  -9.115  18.024
  381    H    LYS  60           HN       LYS  60  -9.532  -4.318  11.484
  382    HA   LYS  60           HA       LYS  60 -12.226  -5.037  11.599
  383    HB2  LYS  60           HB2      LYS  60 -13.308  -2.969  12.224
  384    HB3  LYS  60           HB1      LYS  60 -12.235  -3.471  13.524
  385    HG2  LYS  60           HG2      LYS  60 -10.521  -1.892  12.446
  386    HG3  LYS  60           HG1      LYS  60 -11.905  -1.218  11.581
  387    HD2  LYS  60           HD2      LYS  60 -12.677  -0.168  13.407
  388    HD3  LYS  60           HD1      LYS  60 -12.357  -1.554  14.450
  389    HE2  LYS  60           HE2      LYS  60 -10.561  -0.536  15.265
  390    HE3  LYS  60           HE1      LYS  60  -9.863  -0.456  13.648
  391    HZ1  LYS  60           HZ1      LYS  60 -11.825   1.533  13.873
  392    HZ2  LYS  60           HZ2      LYS  60 -10.158   1.723  13.662
  393    HZ3  LYS  60           HZ3      LYS  60 -10.809   1.648  15.221
  394    H    LEU  61           HN       LEU  61 -13.579  -3.601  10.064
  395    HA   LEU  61           HA       LEU  61 -13.918  -2.803   7.969
  396    HG   LEU  61           HG       LEU  61 -12.690   0.601   8.007
  397    HB2  LEU  61           HB2      LEU  61 -11.502  -1.399   8.895
  398    HB3  LEU  61           HB1      LEU  61 -11.730  -1.414   7.157
  399   HD11  LEU  61          1HD1      LEU  61 -14.137  -1.281   6.548
  400   HD12  LEU  61          2HD1      LEU  61 -14.430   0.456   6.639
  401   HD13  LEU  61          3HD1      LEU  61 -15.274  -0.639   7.733
  402   HD21  LEU  61          3HD2      LEU  61 -14.389  -1.084   9.839
  403   HD22  LEU  61          1HD2      LEU  61 -14.362   0.677   9.730
  404   HD23  LEU  61          2HD2      LEU  61 -12.953  -0.191  10.342
  405    H    ALA  62           HN       ALA  62 -12.969  -2.743   5.686
  406    HA   ALA  62           HA       ALA  62 -10.815  -4.489   5.039
  407    HB1  ALA  62           HB1      ALA  62 -13.515  -5.623   5.243
  408    HB2  ALA  62           HB2      ALA  62 -11.942  -6.419   5.283
  409    HB3  ALA  62           HB3      ALA  62 -12.671  -5.982   3.737
  410    H    ALA  63           HN       ALA  63 -10.138  -4.143   2.983
  411    HA   ALA  63           HA       ALA  63  -9.990  -3.256   0.895
  412    HB1  ALA  63           HB1      ALA  63 -11.668  -3.798  -0.472
  413    HB2  ALA  63           HB2      ALA  63 -12.827  -2.802   0.410
  414    HB3  ALA  63           HB3      ALA  63 -12.469  -4.438   0.964
  415    H    ALA  64           HN       ALA  64  -9.715  -1.249   0.020
  416    HA   ALA  64           HA       ALA  64 -10.011   0.995   1.686
  417    HB1  ALA  64           HB1      ALA  64  -9.733   1.686  -1.114
  418    HB2  ALA  64           HB2      ALA  64  -8.626   0.401  -0.633
  419    HB3  ALA  64           HB3      ALA  64  -8.619   1.939   0.229
  420    H    LEU  65           HN       LEU  65 -12.110   1.374   2.295
  421    HA   LEU  65           HA       LEU  65 -14.299   2.009   2.158
  422    HG   LEU  65           HG       LEU  65 -13.897   5.562   1.537
  423    HB2  LEU  65           HB2      LEU  65 -12.698   3.759   0.471
  424    HB3  LEU  65           HB1      LEU  65 -14.379   3.718  -0.022
  425   HD11  LEU  65          1HD1      LEU  65 -16.000   5.396   2.209
  426   HD12  LEU  65          2HD1      LEU  65 -15.590   4.094   3.324
  427   HD13  LEU  65          3HD1      LEU  65 -16.007   3.723   1.651
  428   HD21  LEU  65          3HD2      LEU  65 -12.783   5.316   3.454
  429   HD22  LEU  65          1HD2      LEU  65 -12.325   3.723   2.852
  430   HD23  LEU  65          2HD2      LEU  65 -13.721   3.896   3.916
  431    H    GLU  66           HN       GLU  66 -14.800  -0.232   1.436
  432    HA   GLU  66           HA       GLU  66 -15.823  -0.257  -1.328
  433    HB2  GLU  66           HB2      GLU  66 -14.002  -1.931  -0.643
  434    HB3  GLU  66           HB1      GLU  66 -15.252  -2.715   0.313
  435    HG2  GLU  66           HG2      GLU  66 -16.015  -3.776  -1.468
  436    HG3  GLU  66           HG1      GLU  66 -16.227  -2.254  -2.332
  437    H    HIS  67           HN       HIS  67 -17.651   0.928  -0.244
  438    HA   HIS  67           HA       HIS  67 -19.763   1.017   0.599
  439    HD1  HIS  67           HD1      HIS  67 -19.171   1.409  -1.725
  440    HD2  HIS  67           HD2      HIS  67 -22.482  -1.032  -2.322
  441    HE1  HIS  67           HE1      HIS  67 -20.321   2.322  -3.767
  442    HE2  HIS  67           HE2      HIS  67 -22.267   0.772  -4.164
  443    HB2  HIS  67           HB2      HIS  67 -19.633  -1.673  -0.722
  444    HB3  HIS  67           HB1      HIS  67 -21.094  -1.184   0.129
  445    H    HIS  68           HN       HIS  68 -21.195  -1.449   1.590
  446    HA   HIS  68           HA       HIS  68 -19.707  -2.139   3.986
  447    HD1  HIS  68           HD1      HIS  68 -24.109  -1.667   4.360
  448    HD2  HIS  68           HD2      HIS  68 -21.893   1.585   3.023
  449    HE1  HIS  68           HE1      HIS  68 -25.752  -0.174   3.177
  450    HE2  HIS  68           HE2      HIS  68 -24.395   1.803   2.403
  451    HB2  HIS  68           HB2      HIS  68 -21.740  -1.486   5.402
  452    HB3  HIS  68           HB1      HIS  68 -20.707  -0.178   4.836
  453    H    HIS  69           HN       HIS  69 -22.732  -2.375   2.172
  454    HA   HIS  69           HA       HIS  69 -22.824  -5.232   2.834
  455    HD1  HIS  69           HD1      HIS  69 -23.151  -3.249   5.422
  456    HD2  HIS  69           HD2      HIS  69 -25.843  -6.382   4.967
  457    HE1  HIS  69           HE1      HIS  69 -23.286  -4.352   7.678
  458    HE2  HIS  69           HE2      HIS  69 -24.986  -6.190   7.400
  459    HB2  HIS  69           HB2      HIS  69 -24.968  -3.193   3.262
  460    HB3  HIS  69           HB1      HIS  69 -25.431  -4.829   2.804
  461    H    HIS  70           HN       HIS  70 -25.119  -5.896   1.459
  462    HA   HIS  70           HA       HIS  70 -25.838  -6.499  -0.610
  463    HD1  HIS  70           HD1      HIS  70 -28.122  -5.382  -0.350
  464    HD2  HIS  70           HD2      HIS  70 -26.054  -1.785  -0.125
  465    HE1  HIS  70           HE1      HIS  70 -29.597  -3.839   0.981
  466    HE2  HIS  70           HE2      HIS  70 -28.349  -1.652   1.059
  467    HB2  HIS  70           HB2      HIS  70 -24.849  -3.774  -1.473
  468    HB3  HIS  70           HB1      HIS  70 -26.065  -4.762  -2.278
  469    H    HIS  71           HN       HIS  71 -25.002  -6.216  -3.138
  470    HA   HIS  71           HA       HIS  71 -23.532  -7.061  -4.653
  471    HD1  HIS  71           HD1      HIS  71 -21.154  -3.399  -4.622
  472    HD2  HIS  71           HD2      HIS  71 -22.250  -6.893  -6.588
  473    HE1  HIS  71           HE1      HIS  71 -21.021  -2.862  -7.075
  474    HE2  HIS  71           HE2      HIS  71 -21.617  -5.011  -8.245
  475    HB2  HIS  71           HB2      HIS  71 -22.094  -5.155  -3.065
  476    HB3  HIS  71           HB1      HIS  71 -21.008  -6.467  -3.513
  477    H    HIS  72           HN       HIS  72 -20.968  -8.140  -4.387
  478    HA   HIS  72           HA       HIS  72 -21.116 -10.229  -2.370
  479    HD1  HIS  72           HD1      HIS  72 -21.724 -13.057  -2.333
  480    HD2  HIS  72           HD2      HIS  72 -24.274 -11.011  -4.897
  481    HE1  HIS  72           HE1      HIS  72 -24.029 -13.922  -1.821
  482    HE2  HIS  72           HE2      HIS  72 -25.564 -12.607  -3.324
  483    HB2  HIS  72           HB2      HIS  72 -21.591 -10.672  -5.270
  484    HB3  HIS  72           HB1      HIS  72 -20.574 -11.845  -4.441
  Start of MODEL   10
    1    HA   ALA   1           HA       ALA   1  23.784  -4.104  -9.241
    2    H1   ALA   1           HT1      ALA   1  24.039  -3.175  -7.220
    3    H2   ALA   1           HT2      ALA   1  24.699  -4.693  -6.871
    4    H3   ALA   1           HT3      ALA   1  23.109  -4.337  -6.417
    5    HB1  ALA   1           HB1      ALA   1  23.776  -6.660  -7.709
    6    HB2  ALA   1           HB2      ALA   1  24.791  -6.157  -9.061
    7    HB3  ALA   1           HB3      ALA   1  23.118  -6.637  -9.345
    8    H    MET   2           HN       MET   2  21.610  -6.052  -7.196
    9    HA   MET   2           HA       MET   2  19.337  -4.900  -8.656
   10    HB2  MET   2           HB2      MET   2  19.973  -7.532  -8.038
   11    HB3  MET   2           HB1      MET   2  18.720  -7.120  -6.874
   12    HG2  MET   2           HG2      MET   2  17.177  -7.421  -8.419
   13    HG3  MET   2           HG1      MET   2  17.901  -6.150  -9.404
   14    HE1  MET   2           HE1      MET   2  18.173  -9.715  -8.238
   15    HE2  MET   2           HE2      MET   2  19.869  -9.741  -8.723
   16    HE3  MET   2           HE3      MET   2  18.672 -10.648  -9.649
   17    H    ASP   3           HN       ASP   3  18.561  -3.158  -7.643
   18    HA   ASP   3           HA       ASP   3  17.486  -3.431  -4.993
   19    HB2  ASP   3           HB2      ASP   3  18.711  -1.415  -4.108
   20    HB3  ASP   3           HB1      ASP   3  19.707  -2.853  -4.311
   21    H    VAL   4           HN       VAL   4  15.592  -2.429  -5.014
   22    HA   VAL   4           HA       VAL   4  15.007  -0.502  -7.107
   23    HB   VAL   4           HB       VAL   4  13.128  -1.548  -4.988
   24   HG11  VAL   4          1HG1      VAL   4  11.449  -1.016  -6.826
   25   HG12  VAL   4          2HG1      VAL   4  12.748  -0.108  -7.599
   26   HG13  VAL   4          3HG1      VAL   4  12.182   0.356  -5.994
   27   HG21  VAL   4          3HG2      VAL   4  14.391  -3.152  -6.758
   28   HG22  VAL   4          1HG2      VAL   4  12.992  -2.659  -7.712
   29   HG23  VAL   4          2HG2      VAL   4  12.761  -3.446  -6.150
   30    H    LYS   5           HN       LYS   5  14.416   1.614  -6.797
   31    HA   LYS   5           HA       LYS   5  14.496   2.677  -4.062
   32    HB2  LYS   5           HB2      LYS   5  16.699   2.912  -5.484
   33    HB3  LYS   5           HB1      LYS   5  15.816   4.218  -6.261
   34    HG2  LYS   5           HG2      LYS   5  16.308   5.583  -4.594
   35    HG3  LYS   5           HG1      LYS   5  15.552   4.485  -3.436
   36    HD2  LYS   5           HD2      LYS   5  17.556   3.385  -2.986
   37    HD3  LYS   5           HD1      LYS   5  18.317   3.964  -4.470
   38    HE2  LYS   5           HE2      LYS   5  17.741   6.301  -3.188
   39    HE3  LYS   5           HE1      LYS   5  18.104   5.232  -1.834
   40    HZ1  LYS   5           HZ1      LYS   5  19.884   5.561  -4.184
   41    HZ2  LYS   5           HZ2      LYS   5  20.237   4.765  -2.734
   42    HZ3  LYS   5           HZ3      LYS   5  20.052   6.447  -2.753
   43    H    CYS   6           HN       CYS   6  12.747   3.862  -3.674
   44    HA   CYS   6           HA       CYS   6  11.168   4.839  -5.933
   45    HB2  CYS   6           HB2      CYS   6  10.521   3.693  -3.418
   46    HB3  CYS   6           HB1      CYS   6   9.901   5.340  -3.419
   47    H    ASP   7           HN       ASP   7  13.219   5.976  -3.414
   48    HA   ASP   7           HA       ASP   7  12.937   8.691  -4.370
   49    HB2  ASP   7           HB2      ASP   7  11.329   7.995  -2.264
   50    HB3  ASP   7           HB1      ASP   7  12.753   8.617  -1.437
   51    H    MET   8           HN       MET   8  14.401  10.164  -2.877
   52    HA   MET   8           HA       MET   8  17.008   8.892  -2.882
   53    HB2  MET   8           HB2      MET   8  16.201  11.373  -3.613
   54    HB3  MET   8           HB1      MET   8  16.755  11.694  -1.975
   55    HG2  MET   8           HG2      MET   8  18.809  10.213  -2.930
   56    HG3  MET   8           HG1      MET   8  18.276  11.038  -4.393
   57    HE1  MET   8           HE1      MET   8  17.873  13.630  -4.490
   58    HE2  MET   8           HE2      MET   8  18.568  14.798  -3.366
   59    HE3  MET   8           HE3      MET   8  17.153  13.856  -2.896
   60    H    GLU   9           HN       GLU   9  15.335   7.880  -0.889
   61    HA   GLU   9           HA       GLU   9  16.971   8.339   1.423
   62    HB2  GLU   9           HB2      GLU   9  14.775   8.759   2.814
   63    HB3  GLU   9           HB1      GLU   9  15.636  10.096   2.067
   64    HG2  GLU   9           HG2      GLU   9  14.022   9.642   0.069
   65    HG3  GLU   9           HG1      GLU   9  13.043   8.848   1.303
   66    H    VAL  10           HN       VAL  10  14.509   6.666  -0.294
   67    HA   VAL  10           HA       VAL  10  14.293   4.598   1.763
   68    HB   VAL  10           HB       VAL  10  12.283   5.557   0.448
   69   HG11  VAL  10          1HG1      VAL  10  12.639   3.443  -1.551
   70   HG12  VAL  10          2HG1      VAL  10  13.724   4.820  -1.735
   71   HG13  VAL  10          3HG1      VAL  10  11.979   5.069  -1.720
   72   HG21  VAL  10          3HG2      VAL  10  12.678   3.247   1.800
   73   HG22  VAL  10          1HG2      VAL  10  12.145   2.631   0.237
   74   HG23  VAL  10          2HG2      VAL  10  11.126   3.756   1.135
   75    H    SER  11           HN       SER  11  14.579   2.349   1.206
   76    HA   SER  11           HA       SER  11  16.112   1.749  -1.196
   77    HG   SER  11           HG       SER  11  18.101   1.708   2.318
   78    HB2  SER  11           HB2      SER  11  17.816   0.513   0.312
   79    HB3  SER  11           HB1      SER  11  17.965   2.262   0.147
   80    H    CYS  12           HN       CYS  12  14.290   0.505  -1.736
   81    HA   CYS  12           HA       CYS  12  13.745  -1.831  -0.048
   82    HB2  CYS  12           HB2      CYS  12  12.225  -0.952  -2.504
   83    HB3  CYS  12           HB1      CYS  12  11.704  -2.095  -1.273
   84    HA   PRO  13           HA       PRO  13  16.376  -3.764  -3.208
   85    HB2  PRO  13           HB2      PRO  13  17.387  -5.702  -1.664
   86    HB3  PRO  13           HB1      PRO  13  17.940  -4.025  -1.529
   87    HG2  PRO  13           HG2      PRO  13  15.981  -5.511   0.184
   88    HG3  PRO  13           HG1      PRO  13  17.307  -4.442   0.674
   89    HD2  PRO  13           HD2      PRO  13  14.697  -3.642   0.518
   90    HD3  PRO  13           HD1      PRO  13  16.075  -2.544   0.308
   91    H    ASP  14           HN       ASP  14  16.728  -6.433  -3.303
   92    HA   ASP  14           HA       ASP  14  14.529  -7.407  -4.610
   93    HB2  ASP  14           HB2      ASP  14  16.714  -8.918  -3.179
   94    HB3  ASP  14           HB1      ASP  14  15.536  -9.687  -4.237
   95    H    GLY  15           HN       GLY  15  12.592  -8.094  -4.055
   96    HA2  GLY  15           HA2      GLY  15  11.034  -9.356  -2.847
   97    HA3  GLY  15           HA1      GLY  15  12.191  -9.490  -1.534
   98    H    TYR  16           HN       TYR  16  12.068  -6.290  -2.454
   99    HA   TYR  16           HA       TYR  16  10.003  -5.725  -0.420
  100    HD1  TYR  16           HD1      TYR  16  13.817  -6.300  -0.370
  101    HD2  TYR  16           HD2      TYR  16  11.086  -4.409   2.288
  102    HE1  TYR  16           HE1      TYR  16  14.807  -7.530   1.510
  103    HE2  TYR  16           HE2      TYR  16  12.069  -5.628   4.178
  104    HH   TYR  16           HH       TYR  16  15.004  -7.388   3.907
  105    HB2  TYR  16           HB2      TYR  16  12.567  -4.227  -0.996
  106    HB3  TYR  16           HB1      TYR  16  11.295  -3.631   0.063
  107    H    THR  17           HN       THR  17   8.827  -3.760  -0.638
  108    HA   THR  17           HA       THR  17   8.776  -2.628  -3.356
  109    HB   THR  17           HB       THR  17   6.880  -4.147  -3.207
  110    HG1  THR  17           HG1      THR  17   6.730  -1.730  -3.938
  111   HG21  THR  17          3HG2      THR  17   6.449  -4.417  -0.921
  112   HG22  THR  17          1HG2      THR  17   5.053  -3.517  -1.511
  113   HG23  THR  17          2HG2      THR  17   6.339  -2.679  -0.643
  114    H    CYS  18           HN       CYS  18   7.994  -0.435  -3.467
  115    HA   CYS  18           HA       CYS  18   8.389   0.988  -0.928
  116    HB2  CYS  18           HB2      CYS  18   8.818   2.980  -2.365
  117    HB3  CYS  18           HB1      CYS  18   9.955   1.663  -2.625
  118    H    CYS  19           HN       CYS  19   6.726   1.891   0.051
  119    HA   CYS  19           HA       CYS  19   4.463   2.875  -1.524
  120    HB2  CYS  19           HB2      CYS  19   4.239   0.444  -0.378
  121    HB3  CYS  19           HB1      CYS  19   3.757   1.455   0.982
  122    H    ARG  20           HN       ARG  20   3.696   4.768  -0.806
  123    HA   ARG  20           HA       ARG  20   5.041   6.241   1.170
  124    HE   ARG  20           HE       ARG  20   5.192  10.851  -0.817
  125    HB2  ARG  20           HB2      ARG  20   2.545   6.599  -0.416
  126    HB3  ARG  20           HB1      ARG  20   2.807   7.657   0.962
  127    HG2  ARG  20           HG2      ARG  20   4.980   7.319  -1.048
  128    HG3  ARG  20           HG1      ARG  20   3.599   8.349  -1.426
  129    HD2  ARG  20           HD2      ARG  20   4.438   8.982   1.199
  130    HD3  ARG  20           HD1      ARG  20   5.879   8.922   0.187
  131   HH11  ARG  20          1HH1      ARG  20   2.450   9.376   0.749
  132   HH12  ARG  20          2HH1      ARG  20   1.386  10.705   0.424
  133   HH21  ARG  20          1HH2      ARG  20   3.797  12.604  -1.249
  134   HH22  ARG  20          2HH2      ARG  20   2.152  12.537  -0.713
  135    H    LEU  21           HN       LEU  21   4.241   7.059   3.189
  136    HA   LEU  21           HA       LEU  21   2.254   5.299   4.471
  137    HG   LEU  21           HG       LEU  21   4.716   3.931   4.531
  138    HB2  LEU  21           HB2      LEU  21   4.921   6.247   5.462
  139    HB3  LEU  21           HB1      LEU  21   3.648   5.851   6.601
  140   HD11  LEU  21          1HD1      LEU  21   6.531   4.061   5.905
  141   HD12  LEU  21          2HD1      LEU  21   5.576   2.872   6.790
  142   HD13  LEU  21          3HD1      LEU  21   5.578   4.559   7.303
  143   HD21  LEU  21          3HD2      LEU  21   2.925   3.527   6.924
  144   HD22  LEU  21          1HD2      LEU  21   3.547   2.252   5.876
  145   HD23  LEU  21          2HD2      LEU  21   2.433   3.458   5.232
  146    H    GLN  22           HN       GLN  22   3.843   7.878   6.177
  147    HA   GLN  22           HA       GLN  22   1.284   9.286   6.352
  148    HB2  GLN  22           HB2      GLN  22   2.843  10.628   8.085
  149    HB3  GLN  22           HB1      GLN  22   1.952   9.178   8.520
  150    HG2  GLN  22           HG2      GLN  22   4.539   8.540   7.402
  151    HG3  GLN  22           HG1      GLN  22   4.671   9.609   8.798
  152   HE21  GLN  22          1HE2      GLN  22   3.636   8.929  10.777
  153   HE22  GLN  22          2HE2      GLN  22   3.483   7.243  11.123
  154    H    SER  23           HN       SER  23   3.027   9.350   4.007
  155    HA   SER  23           HA       SER  23   3.673  10.827   2.416
  156    HG   SER  23           HG       SER  23   0.999  12.587   4.428
  157    HB2  SER  23           HB2      SER  23   2.918  13.251   3.935
  158    HB3  SER  23           HB1      SER  23   2.543  12.790   2.275
  159    H    GLY  24           HN       GLY  24   5.007  10.599   5.375
  160    HA2  GLY  24           HA2      GLY  24   6.880  12.782   5.270
  161    HA3  GLY  24           HA1      GLY  24   6.919  11.419   6.381
  162    H    ALA  25           HN       ALA  25   6.786   9.457   4.234
  163    HA   ALA  25           HA       ALA  25   8.882   9.733   2.390
  164    HB1  ALA  25           HB1      ALA  25  10.489   8.117   3.546
  165    HB2  ALA  25           HB2      ALA  25   9.636   8.523   5.035
  166    HB3  ALA  25           HB3      ALA  25  10.465   9.784   4.122
  167    H    TRP  26           HN       TRP  26   9.687   7.390   1.729
  168    HA   TRP  26           HA       TRP  26   7.248   5.833   1.389
  169    HD1  TRP  26           HD1      TRP  26   9.932   8.150  -0.636
  170    HE1  TRP  26           HE1      TRP  26   8.629   9.349  -2.503
  171    HE3  TRP  26           HE3      TRP  26   6.381   4.591  -1.557
  172    HZ2  TRP  26           HZ2      TRP  26   6.387   8.851  -4.150
  173    HZ3  TRP  26           HZ3      TRP  26   4.693   5.030  -3.292
  174    HH2  TRP  26           HH2      TRP  26   4.697   7.115  -4.559
  175    HB2  TRP  26           HB2      TRP  26   9.970   5.535   0.104
  176    HB3  TRP  26           HB1      TRP  26   8.549   4.580  -0.299
  177    H    GLY  27           HN       GLY  27   7.349   3.464   1.540
  178    HA2  GLY  27           HA2      GLY  27   9.181   2.595   3.693
  179    HA3  GLY  27           HA1      GLY  27   7.477   2.171   3.693
  180    H    CYS  28           HN       CYS  28   9.834   0.434   3.706
  181    HA   CYS  28           HA       CYS  28   9.521  -0.906   1.111
  182    HB2  CYS  28           HB2      CYS  28  11.693  -1.191   3.191
  183    HB3  CYS  28           HB1      CYS  28  11.600  -2.125   1.704
  184    H    CYS  29           HN       CYS  29   8.095  -2.478   1.099
  185    HA   CYS  29           HA       CYS  29   7.678  -4.062   3.538
  186    HB2  CYS  29           HB2      CYS  29   5.565  -3.332   2.968
  187    HB3  CYS  29           HB1      CYS  29   5.927  -3.285   1.248
  188    HA   PRO  30           HA       PRO  30   9.907  -7.261   1.403
  189    HB2  PRO  30           HB2      PRO  30   9.551  -9.243   3.223
  190    HB3  PRO  30           HB1      PRO  30  10.701  -7.920   3.443
  191    HG2  PRO  30           HG2      PRO  30   7.977  -8.280   4.607
  192    HG3  PRO  30           HG1      PRO  30   9.443  -7.622   5.349
  193    HD2  PRO  30           HD2      PRO  30   7.399  -6.076   4.398
  194    HD3  PRO  30           HD1      PRO  30   9.083  -5.529   4.508
  195    H    PHE  31           HN       PHE  31   7.135  -6.771   0.710
  196    HA   PHE  31           HA       PHE  31   5.466  -7.708  -0.485
  197    HD1  PHE  31           HD1      PHE  31   4.413 -10.219  -2.076
  198    HD2  PHE  31           HD2      PHE  31   7.664  -7.730  -3.220
  199    HE1  PHE  31           HE1      PHE  31   3.325  -9.807  -4.235
  200    HE2  PHE  31           HE2      PHE  31   6.591  -7.307  -5.384
  201    HZ   PHE  31           HZ       PHE  31   4.411  -8.347  -5.904
  202    HB2  PHE  31           HB2      PHE  31   7.801  -8.969  -1.266
  203    HB3  PHE  31           HB1      PHE  31   6.688 -10.302  -0.964
  204    H    THR  32           HN       THR  32   3.787  -9.243  -0.512
  205    HA   THR  32           HA       THR  32   3.605 -11.487   1.142
  206    HB   THR  32           HB       THR  32   1.672 -10.034   2.525
  207    HG1  THR  32           HG1      THR  32   3.500  -8.491   3.455
  208   HG21  THR  32          3HG2      THR  32   4.404 -10.553   3.652
  209   HG22  THR  32          1HG2      THR  32   3.326 -11.885   3.234
  210   HG23  THR  32          2HG2      THR  32   2.832 -10.696   4.439
  211    H    GLN  33           HN       GLN  33   2.897 -10.401  -1.477
  212    HA   GLN  33           HA       GLN  33   1.273 -10.637  -3.044
  213    HB2  GLN  33           HB2      GLN  33  -0.197 -12.206  -0.919
  214    HB3  GLN  33           HB1      GLN  33  -0.519 -12.236  -2.648
  215    HG2  GLN  33           HG2      GLN  33   1.471 -13.381  -3.112
  216    HG3  GLN  33           HG1      GLN  33   2.143 -13.026  -1.520
  217   HE21  GLN  33          1HE2      GLN  33  -0.576 -14.692  -3.064
  218   HE22  GLN  33          2HE2      GLN  33  -0.640 -16.001  -1.938
  219    H    ALA  34           HN       ALA  34   0.973  -8.810  -0.398
  220    HA   ALA  34           HA       ALA  34  -0.954  -7.083  -1.458
  221    HB1  ALA  34           HB1      ALA  34  -2.651  -8.648  -0.944
  222    HB2  ALA  34           HB2      ALA  34  -2.733  -7.409   0.308
  223    HB3  ALA  34           HB3      ALA  34  -1.976  -8.964   0.654
  224    H    VAL  35           HN       VAL  35  -1.777  -5.526   0.346
  225    HA   VAL  35           HA       VAL  35  -1.304  -3.979   1.928
  226    HB   VAL  35           HB       VAL  35   0.534  -6.054   3.144
  227   HG11  VAL  35          1HG1      VAL  35   0.995  -4.534   4.692
  228   HG12  VAL  35          2HG1      VAL  35  -0.723  -4.334   5.034
  229   HG13  VAL  35          3HG1      VAL  35   0.050  -3.342   3.799
  230   HG21  VAL  35          3HG2      VAL  35  -2.217  -6.219   2.778
  231   HG22  VAL  35          1HG2      VAL  35  -2.029  -5.655   4.438
  232   HG23  VAL  35          2HG2      VAL  35  -1.249  -7.150   3.921
  233    H    CYS  36           HN       CYS  36   0.231  -2.456   2.598
  234    HA   CYS  36           HA       CYS  36   2.963  -2.571   1.761
  235    HB2  CYS  36           HB2      CYS  36   2.975  -1.044   0.014
  236    HB3  CYS  36           HB1      CYS  36   1.486  -1.923  -0.314
  237    H    CYS  37           HN       CYS  37   0.687  -1.807   3.808
  238    HA   CYS  37           HA       CYS  37   1.828   0.727   4.754
  239    HB2  CYS  37           HB2      CYS  37  -0.297   0.268   6.383
  240    HB3  CYS  37           HB1      CYS  37  -0.401   1.156   4.867
  241    H    GLU  38           HN       GLU  38   3.537   0.323   6.060
  242    HA   GLU  38           HA       GLU  38   3.109  -0.996   8.545
  243    HB2  GLU  38           HB2      GLU  38   4.649  -2.838   8.317
  244    HB3  GLU  38           HB1      GLU  38   3.413  -2.963   7.072
  245    HG2  GLU  38           HG2      GLU  38   6.134  -1.773   6.597
  246    HG3  GLU  38           HG1      GLU  38   5.750  -3.474   6.336
  247    H    ASP  39           HN       ASP  39   4.564  -0.417  10.055
  248    HA   ASP  39           HA       ASP  39   6.933   1.091   9.169
  249    HB2  ASP  39           HB2      ASP  39   6.507   2.310  11.478
  250    HB3  ASP  39           HB1      ASP  39   5.676   2.834  10.017
  251    H    HIS  40           HN       HIS  40   7.914  -1.054   9.377
  252    HA   HIS  40           HA       HIS  40   9.339  -2.469  10.440
  253    HD1  HIS  40           HD1      HIS  40  12.267  -0.344  12.121
  254    HD2  HIS  40           HD2      HIS  40  10.366  -3.929  13.015
  255    HE1  HIS  40           HE1      HIS  40  14.104  -1.940  12.750
  256    HE2  HIS  40           HE2      HIS  40  12.929  -4.094  13.320
  257    HB2  HIS  40           HB2      HIS  40   9.835  -0.211  11.730
  258    HB3  HIS  40           HB1      HIS  40   9.041  -1.052  13.057
  259    H    ILE  41           HN       ILE  41   6.765  -3.255  10.187
  260    HA   ILE  41           HA       ILE  41   6.481  -5.070  12.419
  261    HB   ILE  41           HB       ILE  41   5.189  -2.952  13.009
  262   HG12  ILE  41          2HG1      ILE  41   3.106  -4.981  13.038
  263   HG13  ILE  41          1HG1      ILE  41   4.676  -5.649  13.477
  264   HG21  ILE  41          1HG2      ILE  41   2.989  -3.924  11.273
  265   HG22  ILE  41          2HG2      ILE  41   4.269  -2.965  10.529
  266   HG23  ILE  41          3HG2      ILE  41   3.334  -2.299  11.867
  267   HD11  ILE  41          3HD1      ILE  41   4.532  -4.768  15.498
  268   HD12  ILE  41          1HD1      ILE  41   2.895  -4.243  15.105
  269   HD13  ILE  41          2HD1      ILE  41   4.258  -3.159  14.830
  270    H    HIS  42           HN       HIS  42   6.869  -4.925   9.390
  271    HA   HIS  42           HA       HIS  42   6.416  -6.262   7.611
  272    HD1  HIS  42           HD1      HIS  42   6.038 -10.510   9.104
  273    HD2  HIS  42           HD2      HIS  42   8.372  -7.194   8.200
  274    HE1  HIS  42           HE1      HIS  42   8.372 -11.394   8.804
  275    HE2  HIS  42           HE2      HIS  42   9.752  -9.383   8.178
  276    HB2  HIS  42           HB2      HIS  42   5.198  -7.790   9.853
  277    HB3  HIS  42           HB1      HIS  42   4.741  -8.254   8.219
  278    H    CYS  43           HN       CYS  43   4.797  -6.726   6.018
  279    HA   CYS  43           HA       CYS  43   2.618  -4.825   6.081
  280    HB2  CYS  43           HB2      CYS  43   2.581  -6.497   3.748
  281    HB3  CYS  43           HB1      CYS  43   2.983  -4.788   3.869
  282    H    CYS  44           HN       CYS  44   2.001  -6.459   8.013
  283    HA   CYS  44           HA       CYS  44   0.518  -7.947   8.869
  284    HB2  CYS  44           HB2      CYS  44  -1.283  -7.937   6.543
  285    HB3  CYS  44           HB1      CYS  44  -1.616  -7.570   8.230
  286    HA   PRO  45           HA       PRO  45   2.159 -11.444   6.361
  287    HB2  PRO  45           HB2      PRO  45   3.129 -12.852   8.453
  288    HB3  PRO  45           HB1      PRO  45   4.023 -11.523   7.704
  289    HG2  PRO  45           HG2      PRO  45   2.369 -11.524  10.201
  290    HG3  PRO  45           HG1      PRO  45   3.955 -10.784   9.910
  291    HD2  PRO  45           HD2      PRO  45   1.635  -9.372   9.857
  292    HD3  PRO  45           HD1      PRO  45   3.046  -8.948   8.867
  293    H    ALA  46           HN       ALA  46  -0.355 -11.561   6.263
  294    HA   ALA  46           HA       ALA  46  -2.208 -12.860   6.312
  295    HB1  ALA  46           HB1      ALA  46  -0.998 -15.207   7.561
  296    HB2  ALA  46           HB2      ALA  46  -0.117 -14.601   6.158
  297    HB3  ALA  46           HB3      ALA  46  -1.819 -15.041   6.008
  298    H    GLY  47           HN       GLY  47  -3.909 -13.500   7.632
  299    HA2  GLY  47           HA2      GLY  47  -5.022 -13.921   9.641
  300    HA3  GLY  47           HA1      GLY  47  -3.492 -13.763  10.493
  301    H    PHE  48           HN       PHE  48  -3.027 -11.181   9.032
  302    HA   PHE  48           HA       PHE  48  -4.817  -9.495  10.652
  303    HD1  PHE  48           HD2      PHE  48  -3.286 -10.235  12.932
  304    HD2  PHE  48           HD1      PHE  48  -0.352  -9.980   9.861
  305    HE1  PHE  48           HE2      PHE  48  -1.917 -11.911  14.106
  306    HE2  PHE  48           HE1      PHE  48   1.024 -11.654  11.030
  307    HZ   PHE  48           HZ       PHE  48   0.241 -12.623  13.153
  308    HB2  PHE  48           HB2      PHE  48  -2.129  -8.503   9.858
  309    HB3  PHE  48           HB1      PHE  48  -3.042  -8.221  11.338
  310    H    THR  49           HN       THR  49  -4.432  -7.099   9.809
  311    HA   THR  49           HA       THR  49  -4.192  -6.780   6.979
  312    HB   THR  49           HB       THR  49  -6.364  -7.594   6.705
  313    HG1  THR  49           HG1      THR  49  -7.219  -5.850   5.831
  314   HG21  THR  49          3HG2      THR  49  -7.625  -5.983   8.858
  315   HG22  THR  49          1HG2      THR  49  -6.682  -7.393   9.343
  316   HG23  THR  49          2HG2      THR  49  -8.048  -7.582   8.245
  317    H    CYS  50           HN       CYS  50  -4.640  -4.504   6.331
  318    HA   CYS  50           HA       CYS  50  -3.699  -2.702   8.396
  319    HB2  CYS  50           HB2      CYS  50  -4.043  -2.564   5.430
  320    HB3  CYS  50           HB1      CYS  50  -4.002  -1.057   6.335
  321    H    ASP  51           HN       ASP  51  -5.110  -1.798   9.743
  322    HA   ASP  51           HA       ASP  51  -7.677  -0.856   8.655
  323    HB2  ASP  51           HB2      ASP  51  -7.192  -2.219  11.307
  324    HB3  ASP  51           HB1      ASP  51  -8.692  -1.402  10.879
  325    H    THR  52           HN       THR  52  -8.717   0.487  10.683
  326    HA   THR  52           HA       THR  52  -8.711   2.445  11.823
  327    HB   THR  52           HB       THR  52  -7.033   2.895  13.340
  328    HG1  THR  52           HG1      THR  52  -5.288   3.365  12.096
  329   HG21  THR  52          3HG2      THR  52  -6.008   0.156  12.895
  330   HG22  THR  52          1HG2      THR  52  -7.751   0.320  13.107
  331   HG23  THR  52          2HG2      THR  52  -6.652   0.903  14.357
  332    H    GLN  53           HN       GLN  53  -7.805   2.186   8.900
  333    HA   GLN  53           HA       GLN  53  -7.221   3.561   7.185
  334    HB2  GLN  53           HB2      GLN  53  -8.890   4.986   8.788
  335    HB3  GLN  53           HB1      GLN  53  -7.483   6.039   8.754
  336    HG2  GLN  53           HG2      GLN  53  -8.138   6.821   6.796
  337    HG3  GLN  53           HG1      GLN  53  -7.944   5.212   6.103
  338   HE21  GLN  53          1HE2      GLN  53 -10.172   7.525   7.410
  339   HE22  GLN  53          2HE2      GLN  53 -11.618   6.726   6.907
  340    H    LYS  54           HN       LYS  54  -5.272   2.997   9.574
  341    HA   LYS  54           HA       LYS  54  -3.255   4.992   8.787
  342    HB2  LYS  54           HB2      LYS  54  -4.111   4.120  11.356
  343    HB3  LYS  54           HB1      LYS  54  -2.460   3.562  11.128
  344    HG2  LYS  54           HG2      LYS  54  -3.289   6.405  10.635
  345    HG3  LYS  54           HG1      LYS  54  -2.746   5.822  12.209
  346    HD2  LYS  54           HD2      LYS  54  -0.891   4.937  10.244
  347    HD3  LYS  54           HD1      LYS  54  -1.179   6.661   9.996
  348    HE2  LYS  54           HE2      LYS  54  -0.844   5.897  12.801
  349    HE3  LYS  54           HE1      LYS  54   0.575   5.590  11.801
  350    HZ1  LYS  54           HZ1      LYS  54  -0.833   8.197  11.808
  351    HZ2  LYS  54           HZ2      LYS  54   0.707   7.846  11.204
  352    HZ3  LYS  54           HZ3      LYS  54   0.435   7.846  12.872
  353    H    GLY  55           HN       GLY  55  -4.167   1.778   8.512
  354    HA2  GLY  55           HA2      GLY  55  -3.092   0.131   7.258
  355    HA3  GLY  55           HA1      GLY  55  -1.629   1.106   7.282
  356    H    THR  56           HN       THR  56  -3.499   0.149  10.108
  357    HA   THR  56           HA       THR  56  -1.119  -1.041  11.262
  358    HB   THR  56           HB       THR  56  -3.671  -1.278  12.731
  359    HG1  THR  56           HG1      THR  56  -2.853   1.107  11.618
  360   HG21  THR  56          3HG2      THR  56  -1.785   0.147  14.204
  361   HG22  THR  56          1HG2      THR  56  -0.837  -0.991  13.246
  362   HG23  THR  56          2HG2      THR  56  -2.118  -1.583  14.304
  363    H    CYS  57           HN       CYS  57  -0.625  -3.100  10.936
  364    HA   CYS  57           HA       CYS  57  -2.600  -4.984   9.988
  365    HB2  CYS  57           HB2      CYS  57   0.303  -5.467  10.680
  366    HB3  CYS  57           HB1      CYS  57  -0.743  -6.529   9.745
  367    H    GLU  58           HN       GLU  58  -3.947  -5.859  11.420
  368    HA   GLU  58           HA       GLU  58  -2.776  -7.097  13.809
  369    HB2  GLU  58           HB2      GLU  58  -5.271  -6.253  14.690
  370    HB3  GLU  58           HB1      GLU  58  -3.718  -5.568  15.145
  371    HG2  GLU  58           HG2      GLU  58  -3.949  -4.052  13.134
  372    HG3  GLU  58           HG1      GLU  58  -5.618  -4.612  13.028
  373    H    GLN  59           HN       GLN  59  -4.071  -8.796  14.745
  374    HA   GLN  59           HA       GLN  59  -5.315 -10.386  12.722
  375    HB2  GLN  59           HB2      GLN  59  -3.971 -10.967  15.022
  376    HB3  GLN  59           HB1      GLN  59  -5.633 -11.251  15.518
  377    HG2  GLN  59           HG2      GLN  59  -5.687 -12.591  13.233
  378    HG3  GLN  59           HG1      GLN  59  -3.958 -12.707  13.557
  379   HE21  GLN  59          1HE2      GLN  59  -4.110 -14.936  13.863
  380   HE22  GLN  59          2HE2      GLN  59  -4.794 -15.617  15.297
  381    H    LYS  60           HN       LYS  60  -6.668  -8.000  13.133
  382    HA   LYS  60           HA       LYS  60  -9.282  -8.704  12.984
  383    HB2  LYS  60           HB2      LYS  60 -10.275  -8.187  15.134
  384    HB3  LYS  60           HB1      LYS  60  -9.077  -9.458  15.332
  385    HG2  LYS  60           HG2      LYS  60  -7.575  -8.048  16.413
  386    HG3  LYS  60           HG1      LYS  60  -8.373  -6.590  15.817
  387    HD2  LYS  60           HD2      LYS  60  -8.923  -6.803  18.126
  388    HD3  LYS  60           HD1      LYS  60 -10.365  -7.228  17.203
  389    HE2  LYS  60           HE2      LYS  60  -9.058  -9.638  17.481
  390    HE3  LYS  60           HE1      LYS  60  -8.767  -8.843  19.027
  391    HZ1  LYS  60           HZ1      LYS  60 -10.776 -10.068  19.202
  392    HZ2  LYS  60           HZ2      LYS  60 -11.391  -9.414  17.769
  393    HZ3  LYS  60           HZ3      LYS  60 -11.205  -8.432  19.133
  394    H    LEU  61           HN       LEU  61 -10.687  -6.616  14.048
  395    HA   LEU  61           HA       LEU  61  -9.299  -4.256  12.958
  396    HG   LEU  61           HG       LEU  61 -11.128  -6.565  11.936
  397    HB2  LEU  61           HB2      LEU  61 -12.212  -4.112  12.939
  398    HB3  LEU  61           HB1      LEU  61 -11.060  -3.741  11.670
  399   HD11  LEU  61          1HD1      LEU  61 -13.348  -7.186  11.814
  400   HD12  LEU  61          2HD1      LEU  61 -13.887  -5.563  11.384
  401   HD13  LEU  61          3HD1      LEU  61 -13.387  -5.917  13.038
  402   HD21  LEU  61          3HD2      LEU  61 -11.574  -6.509   9.654
  403   HD22  LEU  61          1HD2      LEU  61 -10.729  -4.987   9.940
  404   HD23  LEU  61          2HD2      LEU  61 -12.485  -5.004   9.771
  405    H    ALA  62           HN       ALA  62  -9.118  -2.536  14.263
  406    HA   ALA  62           HA       ALA  62 -10.793  -2.470  16.692
  407    HB1  ALA  62           HB1      ALA  62  -8.375  -3.061  17.070
  408    HB2  ALA  62           HB2      ALA  62  -8.963  -1.660  17.966
  409    HB3  ALA  62           HB3      ALA  62  -7.973  -1.433  16.525
  410    H    ALA  63           HN       ALA  63  -9.051  -0.583  14.276
  411    HA   ALA  63           HA       ALA  63  -9.381   1.492  13.417
  412    HB1  ALA  63           HB1      ALA  63 -11.919   0.520  13.881
  413    HB2  ALA  63           HB2      ALA  63 -11.507   1.957  12.944
  414    HB3  ALA  63           HB3      ALA  63 -11.937   2.108  14.648
  415    H    ALA  64           HN       ALA  64  -9.445   3.764  13.962
  416    HA   ALA  64           HA       ALA  64  -8.846   5.556  15.219
  417    HB1  ALA  64           HB1      ALA  64  -9.677   4.891  17.826
  418    HB2  ALA  64           HB2      ALA  64 -10.855   4.186  16.718
  419    HB3  ALA  64           HB3      ALA  64 -10.500   5.913  16.647
  420    H    LEU  65           HN       LEU  65  -7.105   3.095  15.096
  421    HA   LEU  65           HA       LEU  65  -5.748   2.698  17.504
  422    HG   LEU  65           HG       LEU  65  -4.429   0.041  15.425
  423    HB2  LEU  65           HB2      LEU  65  -5.314   2.103  14.699
  424    HB3  LEU  65           HB1      LEU  65  -3.809   2.489  15.510
  425   HD11  LEU  65          1HD1      LEU  65  -3.580  -0.409  17.611
  426   HD12  LEU  65          2HD1      LEU  65  -4.092   1.175  18.193
  427   HD13  LEU  65          3HD1      LEU  65  -2.793   1.049  17.006
  428   HD21  LEU  65          3HD2      LEU  65  -6.192  -0.824  16.591
  429   HD22  LEU  65          1HD2      LEU  65  -6.886   0.722  16.104
  430   HD23  LEU  65          2HD2      LEU  65  -6.242   0.519  17.734
  431    H    GLU  66           HN       GLU  66  -3.702   3.490  18.235
  432    HA   GLU  66           HA       GLU  66  -3.490   6.319  18.113
  433    HB2  GLU  66           HB2      GLU  66  -1.975   4.117  19.431
  434    HB3  GLU  66           HB1      GLU  66  -1.195   5.687  19.295
  435    HG2  GLU  66           HG2      GLU  66  -3.508   6.513  20.275
  436    HG3  GLU  66           HG1      GLU  66  -3.548   4.864  20.898
  437    H    HIS  67           HN       HIS  67  -0.937   7.050  17.955
  438    HA   HIS  67           HA       HIS  67  -0.405   6.963  15.148
  439    HD1  HIS  67           HD1      HIS  67  -1.720   9.400  15.925
  440    HD2  HIS  67           HD2      HIS  67   2.147  10.053  14.551
  441    HE1  HIS  67           HE1      HIS  67  -1.896  11.319  14.310
  442    HE2  HIS  67           HE2      HIS  67   0.469  11.751  13.556
  443    HB2  HIS  67           HB2      HIS  67   0.523   8.476  17.458
  444    HB3  HIS  67           HB1      HIS  67   1.835   8.080  16.353
  445    H    HIS  68           HN       HIS  68   2.340   6.927  14.952
  446    HA   HIS  68           HA       HIS  68   2.856   4.094  15.070
  447    HD1  HIS  68           HD1      HIS  68   6.891   5.871  14.487
  448    HD2  HIS  68           HD2      HIS  68   3.591   8.323  13.889
  449    HE1  HIS  68           HE1      HIS  68   7.762   8.225  14.654
  450    HE2  HIS  68           HE2      HIS  68   5.735   9.690  14.360
  451    HB2  HIS  68           HB2      HIS  68   4.863   4.585  13.818
  452    HB3  HIS  68           HB1      HIS  68   3.531   5.503  13.127
  453    H    HIS  69           HN       HIS  69   4.797   3.175  16.010
  454    HA   HIS  69           HA       HIS  69   5.629   4.609  18.446
  455    HD1  HIS  69           HD1      HIS  69   2.639   3.108  19.184
  456    HD2  HIS  69           HD2      HIS  69   4.527   0.237  16.846
  457    HE1  HIS  69           HE1      HIS  69   0.786   1.755  18.153
  458    HE2  HIS  69           HE2      HIS  69   1.953  -0.009  16.784
  459    HB2  HIS  69           HB2      HIS  69   6.092   1.746  18.541
  460    HB3  HIS  69           HB1      HIS  69   5.214   2.775  19.667
  461    H    HIS  70           HN       HIS  70   7.368   5.602  17.318
  462    HA   HIS  70           HA       HIS  70   9.544   3.767  16.565
  463    HD1  HIS  70           HD1      HIS  70  12.084   5.230  14.761
  464    HD2  HIS  70           HD2      HIS  70   8.415   4.057  13.201
  465    HE1  HIS  70           HE1      HIS  70  12.625   3.892  12.701
  466    HE2  HIS  70           HE2      HIS  70  10.394   3.117  11.825
  467    HB2  HIS  70           HB2      HIS  70   8.449   5.994  15.210
  468    HB3  HIS  70           HB1      HIS  70  10.046   6.483  15.765
  469    H    HIS  71           HN       HIS  71  10.000   3.574  18.880
  470    HA   HIS  71           HA       HIS  71  11.070   5.931  20.200
  471    HD1  HIS  71           HD1      HIS  71   8.577   5.734  22.101
  472    HD2  HIS  71           HD2      HIS  71  12.332   4.956  23.701
  473    HE1  HIS  71           HE1      HIS  71   8.701   7.092  24.214
  474    HE2  HIS  71           HE2      HIS  71  10.943   6.529  25.214
  475    HB2  HIS  71           HB2      HIS  71   9.811   3.625  21.107
  476    HB3  HIS  71           HB1      HIS  71  11.492   3.403  21.582
  477    H    HIS  72           HN       HIS  72  12.341   4.535  17.813
  478    HA   HIS  72           HA       HIS  72  14.965   3.969  19.023
  479    HD1  HIS  72           HD1      HIS  72  15.730   1.978  14.894
  480    HD2  HIS  72           HD2      HIS  72  16.970   2.637  18.806
  481    HE1  HIS  72           HE1      HIS  72  18.147   1.284  14.961
  482    HE2  HIS  72           HE2      HIS  72  18.853   1.618  17.356
  483    HB2  HIS  72           HB2      HIS  72  13.919   2.143  17.659
  484    HB3  HIS  72           HB1      HIS  72  14.013   3.201  16.255