*HEADER    TRANSFERASE                             18-NOV-03   1RJA              
*TITLE     SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF THE NONRECEPTOR           
*TITLE    2 TYROSINE KINASE PTK6/BRK SH2 DOMAIN                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TYROSINE-PROTEIN KINASE 6;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SH2 DOMAIN;                                                
*COMPND   5 SYNONYM: BREAST TUMOR KINASE, TYROSINE-PROTEIN KINASE BRK,           
*COMPND   6 PTK6/BRK;                                                            
*COMPND   7 EC: 2.7.1.112;                                                       
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;                            
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: FALL ARMYWORM;                             
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: BACULOVIRUS;                          
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PGEX 4T-3                                  
*KEYWDS    HUMAN PROTEIN TYROSINE KINASE-6 (PTK6/BRK), SRC HOMOLOGY              
*KEYWDS   2 2(SH2) DOMAIN, SOLUTION STRUCTURE, BACKBONE DYNAMICS                 
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    E.HONG, J.SHIN, W.LEE                                                 
*REVDAT   1   20-JUL-04 1RJA    0                                                

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assign (resid 79 and name O) (resid 83 and name HN) 2.3 0.8 0.2

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assign (resid 92 and name HD*) (resid 92 and name HN) 4.0 2.2 2.0
assign (resid 92 and name HD*) (resid 93 and name HN) 4.0 2.2 2.0
assign (resid 92 and name HG) (resid 92 and name HN) 4.0 2.2 1.0
assign (resid 92 and name HG) (resid 93 and name HN) 4.0 2.2 1.0
assign (resid 93 and name HA) (resid 93 and name HN) 4.0 2.2 1.0
assign (resid 93 and name HA) (resid 94 and name HN) 4.0 2.2 1.0
assign (resid 93 and name HB*) (resid 93 and name HN) 4.0 2.2 2.0
assign (resid 93 and name HN) (resid 94 and name HN) 3.0 1.2 0.3
assign (resid 94 and name HA) (resid 94 and name HN) 4.0 2.2 1.0
assign (resid 96 and name HA) (resid 96 and name HB*) 4.0 2.2 2.0
assign (resid 96 and name HA) (resid 97 and name HN) 4.0 2.2 1.0
assign (resid 96 and name HB*) (resid 96 and name HN) 4.0 2.2 2.0
assign (resid 96 and name HB*) (resid 97 and name HN) 4.0 2.2 2.0
assign (resid 96 and name HN) (resid 97 and name HN) 4.0 2.2 1.0
assign (resid 97 and name HA) (resid 97 and name HN) 4.0 2.2 1.0
assign (resid 97 and name HA) (resid 98 and name HN) 4.0 2.2 1.0
assign (resid 97 and name HB*) (resid 97 and name HN) 4.0 2.2 2.0
assign (resid 97 and name HB*) (resid 98 and name HN) 4.0 2.2 2.0
assign (resid 97 and name HD*) (resid 98 and name HN) 4.0 2.2 2.0
assign (resid 97 and name HG*) (resid 97 and name HN) 4.0 2.2 2.0
assign (resid 97 and name HG*) (resid 98 and name HN) 4.0 2.2 2.0
assign (resid 97 and name HN) (resid 98 and name HN) 4.0 2.2 1.0
assign (resid 98 and name HA) (resid 98 and name HN) 4.0 2.2 1.0
assign (resid 98 and name HA) (resid 99 and name HN) 4.0 2.2 1.0
assign (resid 98 and name HB*) (resid 98 and name HN) 4.0 2.2 2.0
assign (resid 98 and name HB*) (resid 99 and name HN) 4.0 2.2 2.0
assign (resid 98 and name HD*) (resid 98 and name HN) 4.0 2.2 2.0
assign (resid 98 and name HD*) (resid 99 and name HN) 4.0 2.2 2.0
assign (resid 98 and name HE*) (resid 99 and name HN) 4.0 2.2 2.0
assign (resid 98 and name HG*) (resid 98 and name HN) 4.0 2.2 2.0
assign (resid 98 and name HG*) (resid 99 and name HN) 4.0 2.2 2.0
assign (resid 98 and name HN) (resid 99 and name HN) 4.0 2.2 1.0
assign (resid 99 and name HA) (resid 100 and name HN) 4.0 2.2 1.0
assign (resid 99 and name HA) (resid 99 and name HN) 4.0 2.2 1.0
assign (resid 99 and name HB*) (resid 99 and name HN) 4.0 2.2 2.0
assign (resid 99 and name HN) (resid 100 and name HN) 4.0 2.2 1.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1          1H        SER   1  11.719   5.984   3.010
    2   2H    SER   1          2H        SER   1  12.176   5.299   4.516
    3   3H    SER   1          3H        SER   1  10.616   5.988   4.322
    4    HA   SER   1           HA       SER   1  10.152   4.320   2.622
    5   1HB   SER   1          2HB       SER   1  11.967   2.322   3.294
    6   2HB   SER   1          1HB       SER   1  11.973   3.271   1.808
    7    HG   SER   1           HG       SER   1  13.718   3.307   3.877
    8    H    GLU   2           H        GLU   2   8.379   3.839   3.782
    9    HA   GLU   2           HA       GLU   2   8.354   1.700   5.583
   10   1HB   GLU   2          2HB       GLU   2   9.205   4.023   6.835
   11   2HB   GLU   2          1HB       GLU   2   7.495   3.940   7.239
   12   1HG   GLU   2          2HG       GLU   2   7.735   2.053   8.487
   13   2HG   GLU   2          1HG       GLU   2   9.114   1.476   7.553
   14    HA   PRO   3           HA       PRO   3   4.235   2.465   3.904
   15   1HB   PRO   3          2HB       PRO   3   3.441  -0.103   3.917
   16   2HB   PRO   3          1HB       PRO   3   4.568   0.515   2.703
   17   1HG   PRO   3          2HG       PRO   3   5.135  -1.055   5.187
   18   2HG   PRO   3          1HG       PRO   3   5.827  -1.239   3.565
   19   1HD   PRO   3          2HD       PRO   3   7.085   0.072   5.612
   20   2HD   PRO   3          1HD       PRO   3   7.359   0.433   3.897
   21    H    TRP   4           H        TRP   4   4.888   0.275   6.636
   22    HA   TRP   4           HA       TRP   4   3.998   0.329   8.765
   23   1HB   TRP   4          2HB       TRP   4   3.183   2.787   7.841
   24   2HB   TRP   4          1HB       TRP   4   1.651   1.993   8.190
   25    HD1  TRP   4           HD1      TRP   4   0.839   2.544  10.542
   26    HE1  TRP   4           HE1      TRP   4   1.936   2.996  12.826
   27    HE3  TRP   4           HE3      TRP   4   5.747   2.045   9.199
   28    HZ2  TRP   4           HZ2      TRP   4   4.537   3.124  13.914
   29    HZ3  TRP   4           HZ3      TRP   4   7.477   2.348  10.921
   30    HH2  TRP   4           HH2      TRP   4   6.884   2.877  13.230
   31    H    PHE   5           H        PHE   5   3.486  -1.848   8.332
   32    HA   PHE   5           HA       PHE   5   1.181  -2.715   6.976
   33   1HB   PHE   5          2HB       PHE   5   1.567  -4.835   8.423
   34   2HB   PHE   5          1HB       PHE   5   2.803  -4.366   7.260
   35    HD1  PHE   5           HD1      PHE   5   1.929  -4.541  10.815
   36    HD2  PHE   5           HD2      PHE   5   4.953  -3.586   7.977
   37    HE1  PHE   5           HE1      PHE   5   3.605  -4.509  12.617
   38    HE2  PHE   5           HE2      PHE   5   6.634  -3.552   9.773
   39    HZ   PHE   5           HZ       PHE   5   5.961  -4.015  12.096
   40    H    PHE   6           H        PHE   6  -0.873  -2.487   7.510
   41    HA   PHE   6           HA       PHE   6  -1.658  -2.669  10.325
   42   1HB   PHE   6          2HB       PHE   6  -1.776  -0.280   8.691
   43   2HB   PHE   6          1HB       PHE   6  -3.385  -0.757   9.224
   44    HD1  PHE   6           HD1      PHE   6  -3.426  -1.503  11.808
   45    HD2  PHE   6           HD2      PHE   6  -0.642   1.182  10.034
   46    HE1  PHE   6           HE1      PHE   6  -2.997  -0.498  14.013
   47    HE2  PHE   6           HE2      PHE   6  -0.207   2.192  12.235
   48    HZ   PHE   6           HZ       PHE   6  -1.386   1.352  14.228
   49    H    GLY   7           H        GLY   7  -2.504  -4.718   9.907
   50   1HA   GLY   7          2HA       GLY   7  -4.485  -5.037   7.806
   51   2HA   GLY   7          1HA       GLY   7  -3.894  -6.293   8.883
   52    H    CYS   8           H        CYS   8  -5.031  -3.238  10.114
   53    HA   CYS   8           HA       CYS   8  -7.583  -4.461  10.875
   54   1HB   CYS   8          2HB       CYS   8  -5.396  -3.842  12.656
   55   2HB   CYS   8          1HB       CYS   8  -6.816  -2.889  13.073
   56    HG   CYS   8           HG       CYS   8  -8.063  -5.342  13.108
   57    H    ILE   9           H        ILE   9  -6.850  -2.461   8.882
   58    HA   ILE   9           HA       ILE   9  -8.402  -0.188   9.940
   59    HB   ILE   9           HB       ILE   9  -7.176   1.254   8.310
   60   1HG1  ILE   9          2HG1      ILE   9  -5.299  -1.113   8.122
   61   2HG1  ILE   9          1HG1      ILE   9  -6.400  -0.604   6.845
   62   1HG2  ILE   9          1HG2      ILE   9  -6.488   1.516  10.515
   63   2HG2  ILE   9          2HG2      ILE   9  -4.982   1.182   9.660
   64   3HG2  ILE   9          3HG2      ILE   9  -5.773  -0.094  10.586
   65   1HD1  ILE   9          1HD1      ILE   9  -4.617   1.495   7.849
   66   2HD1  ILE   9          2HD1      ILE   9  -5.067   1.073   6.197
   67   3HD1  ILE   9          3HD1      ILE   9  -3.818   0.151   7.034
   68    H    SER  10           H        SER  10 -10.302   0.024   8.975
   69    HA   SER  10           HA       SER  10 -11.028  -1.462   6.669
   70   1HB   SER  10          2HB       SER  10 -12.353   0.163   8.638
   71   2HB   SER  10          1HB       SER  10 -12.903   0.623   7.027
   72    HG   SER  10           HG       SER  10 -12.861  -2.013   8.081
   73    H    ARG  11           H        ARG  11 -12.126  -0.341   4.762
   74    HA   ARG  11           HA       ARG  11 -10.203   1.143   3.351
   75   1HB   ARG  11          2HB       ARG  11 -12.215  -0.319   2.521
   76   2HB   ARG  11          1HB       ARG  11 -13.094   1.203   2.577
   77   1HG   ARG  11          2HG       ARG  11 -12.158   1.924   0.694
   78   2HG   ARG  11          1HG       ARG  11 -10.540   1.461   1.227
   79   1HD   ARG  11          2HD       ARG  11 -10.602  -0.497   0.122
   80   2HD   ARG  11          1HD       ARG  11 -12.293  -0.786   0.530
   81    HE   ARG  11           HE       ARG  11 -11.266   0.557  -1.826
   82   1HH1  ARG  11          2HH1      ARG  11 -14.025  -0.161   0.173
   83   2HH1  ARG  11          1HH1      ARG  11 -15.179   0.170  -1.075
   84   1HH2  ARG  11          1HH2      ARG  11 -12.777   0.996  -3.478
   85   2HH2  ARG  11          2HH2      ARG  11 -14.469   0.827  -3.151
   86    H    SER  12           H        SER  12 -12.414   2.127   5.694
   87    HA   SER  12           HA       SER  12 -12.775   4.817   4.686
   88   1HB   SER  12          2HB       SER  12 -13.610   3.431   7.235
   89   2HB   SER  12          1HB       SER  12 -13.877   5.153   6.962
   90    HG   SER  12           HG       SER  12 -15.685   4.319   6.170
   91    H    GLU  13           H        GLU  13 -11.079   3.259   7.393
   92    HA   GLU  13           HA       GLU  13  -9.944   5.592   8.467
   93   1HB   GLU  13          2HB       GLU  13  -8.732   2.828   8.545
   94   2HB   GLU  13          1HB       GLU  13  -8.470   4.137   9.689
   95   1HG   GLU  13          2HG       GLU  13 -11.267   3.557   9.507
   96   2HG   GLU  13          1HG       GLU  13 -10.364   2.077   9.825
   97    H    ALA  14           H        ALA  14  -8.734   3.302   6.051
   98    HA   ALA  14           HA       ALA  14  -6.185   4.466   5.737
   99   1HB   ALA  14          1HB       ALA  14  -6.550   2.241   4.957
  100   2HB   ALA  14          2HB       ALA  14  -6.165   3.241   3.556
  101   3HB   ALA  14          3HB       ALA  14  -7.835   2.771   3.872
  102    H    VAL  15           H        VAL  15  -9.213   4.901   3.927
  103    HA   VAL  15           HA       VAL  15  -8.288   6.656   1.980
  104    HB   VAL  15           HB       VAL  15 -11.001   6.470   3.286
  105   1HG1  VAL  15          1HG1      VAL  15 -11.324   8.524   2.419
  106   2HG1  VAL  15          2HG1      VAL  15 -11.495   7.640   0.902
  107   3HG1  VAL  15          3HG1      VAL  15  -9.953   8.390   1.317
  108   1HG2  VAL  15          1HG2      VAL  15 -10.462   5.699   0.471
  109   2HG2  VAL  15          2HG2      VAL  15 -11.578   5.000   1.644
  110   3HG2  VAL  15          3HG2      VAL  15  -9.855   4.640   1.744
  111    H    ARG  16           H        ARG  16  -9.413   7.307   5.266
  112    HA   ARG  16           HA       ARG  16  -9.103  10.163   4.957
  113   1HB   ARG  16          2HB       ARG  16 -10.336   8.374   6.858
  114   2HB   ARG  16          1HB       ARG  16  -9.328   9.550   7.689
  115   1HG   ARG  16          2HG       ARG  16 -10.801  11.175   7.356
  116   2HG   ARG  16          1HG       ARG  16 -10.938  10.797   5.637
  117   1HD   ARG  16          2HD       ARG  16 -12.368   8.792   6.460
  118   2HD   ARG  16          1HD       ARG  16 -12.515   9.729   7.946
  119    HE   ARG  16           HE       ARG  16 -13.870  10.204   5.495
  120   1HH1  ARG  16          2HH1      ARG  16 -12.429  11.819   8.223
  121   2HH1  ARG  16          1HH1      ARG  16 -13.441  13.219   8.095
  122   1HH2  ARG  16          1HH2      ARG  16 -15.209  12.043   5.316
  123   2HH2  ARG  16          2HH2      ARG  16 -15.022  13.346   6.442
  124    H    ARG  17           H        ARG  17  -7.095   7.547   5.705
  125    HA   ARG  17           HA       ARG  17  -5.266   9.010   7.397
  126   1HB   ARG  17          2HB       ARG  17  -5.735   6.468   7.423
  127   2HB   ARG  17          1HB       ARG  17  -4.655   6.399   6.038
  128   1HG   ARG  17          2HG       ARG  17  -2.807   7.060   7.288
  129   2HG   ARG  17          1HG       ARG  17  -3.805   7.711   8.590
  130   1HD   ARG  17          2HD       ARG  17  -4.584   5.352   9.016
  131   2HD   ARG  17          1HD       ARG  17  -3.333   4.820   7.893
  132    HE   ARG  17           HE       ARG  17  -1.983   6.358   9.676
  133   1HH1  ARG  17          2HH1      ARG  17  -4.135   3.636   9.967
  134   2HH1  ARG  17          1HH1      ARG  17  -3.392   3.037  11.412
  135   1HH2  ARG  17          1HH2      ARG  17  -0.995   5.578  11.578
  136   2HH2  ARG  17          2HH2      ARG  17  -1.606   4.142  12.329
  137    H    LEU  18           H        LEU  18  -5.048   7.533   4.157
  138    HA   LEU  18           HA       LEU  18  -2.562   8.640   3.487
  139   1HB   LEU  18          2HB       LEU  18  -4.855   7.633   1.823
  140   2HB   LEU  18          1HB       LEU  18  -3.385   8.249   1.092
  141    HG   LEU  18           HG       LEU  18  -3.387   5.799   1.237
  142   1HD1  LEU  18          1HD1      LEU  18  -1.371   7.369   2.794
  143   2HD1  LEU  18          2HD1      LEU  18  -1.231   6.656   1.188
  144   3HD1  LEU  18          3HD1      LEU  18  -1.215   5.622   2.616
  145   1HD2  LEU  18          1HD2      LEU  18  -3.164   4.730   3.454
  146   2HD2  LEU  18          2HD2      LEU  18  -4.738   5.487   3.210
  147   3HD2  LEU  18          3HD2      LEU  18  -3.522   6.283   4.209
  148    H    GLN  19           H        GLN  19  -5.853   9.809   2.943
  149    HA   GLN  19           HA       GLN  19  -5.074  12.101   1.445
  150   1HB   GLN  19          2HB       GLN  19  -7.530  10.907   2.377
  151   2HB   GLN  19          1HB       GLN  19  -7.551  12.642   2.656
  152   1HG   GLN  19          2HG       GLN  19  -6.543  12.054   0.029
  153   2HG   GLN  19          1HG       GLN  19  -8.113  11.292   0.283
  154   1HE2  GLN  19          1HE2      GLN  19  -9.693  12.500  -0.451
  155   2HE2  GLN  19          2HE2      GLN  19  -9.790  14.223  -0.370
  156    H    ALA  20           H        ALA  20  -5.423  11.408   4.841
  157    HA   ALA  20           HA       ALA  20  -5.784  13.805   6.046
  158   1HB   ALA  20          1HB       ALA  20  -4.587  12.992   7.925
  159   2HB   ALA  20          2HB       ALA  20  -3.603  11.925   6.923
  160   3HB   ALA  20          3HB       ALA  20  -5.318  11.586   7.150
  161    H    GLU  21           H        GLU  21  -4.081  15.196   7.165
  162    HA   GLU  21           HA       GLU  21  -2.288  16.195   5.108
  163   1HB   GLU  21          2HB       GLU  21  -2.250  17.573   7.690
  164   2HB   GLU  21          1HB       GLU  21  -2.534  18.213   6.077
  165   1HG   GLU  21          2HG       GLU  21  -4.854  17.349   6.199
  166   2HG   GLU  21          1HG       GLU  21  -4.544  16.871   7.868
  167    H    GLY  22           H        GLY  22  -1.821  13.695   6.746
  168   1HA   GLY  22          2HA       GLY  22   0.635  14.412   8.170
  169   2HA   GLY  22          1HA       GLY  22  -0.169  12.849   8.214
  170    H    ASN  23           H        ASN  23  -0.243  13.535   5.076
  171    HA   ASN  23           HA       ASN  23   2.487  12.605   4.518
  172   1HB   ASN  23          2HB       ASN  23   0.170  11.488   2.975
  173   2HB   ASN  23          1HB       ASN  23   1.790  10.827   3.181
  174   1HD2  ASN  23          1HD2      ASN  23  -0.686   9.462   3.558
  175   2HD2  ASN  23          2HD2      ASN  23  -0.749   8.961   5.211
  176    H    ALA  24           H        ALA  24   3.460  13.722   2.960
  177    HA   ALA  24           HA       ALA  24   1.893  15.653   1.436
  178   1HB   ALA  24          1HB       ALA  24   3.926  16.775   0.987
  179   2HB   ALA  24          2HB       ALA  24   4.888  15.368   1.444
  180   3HB   ALA  24          3HB       ALA  24   4.007  16.272   2.676
  181    H    THR  25           H        THR  25   1.336  13.128   0.607
  182    HA   THR  25           HA       THR  25   1.023  12.060  -1.395
  183    HB   THR  25           HB       THR  25   1.700  13.005  -3.391
  184    HG1  THR  25           HG1      THR  25   4.067  13.492  -2.024
  185   1HG2  THR  25          1HG2      THR  25   1.181  15.187  -3.287
  186   2HG2  THR  25          2HG2      THR  25   2.343  15.516  -2.002
  187   3HG2  THR  25          3HG2      THR  25   0.784  14.787  -1.616
  188    H    GLY  26           H        GLY  26   1.726  10.057  -1.714
  189   1HA   GLY  26          2HA       GLY  26   3.560   8.617  -2.478
  190   2HA   GLY  26          1HA       GLY  26   4.620   9.539  -1.421
  191    H    ALA  27           H        ALA  27   2.202   9.478   0.531
  192    HA   ALA  27           HA       ALA  27   3.160   7.516   2.246
  193   1HB   ALA  27          1HB       ALA  27   0.524   7.746   2.975
  194   2HB   ALA  27          2HB       ALA  27   0.831   9.264   2.131
  195   3HB   ALA  27          3HB       ALA  27   1.835   8.801   3.505
  196    H    PHE  28           H        PHE  28   2.511   5.426   2.764
  197    HA   PHE  28           HA       PHE  28   0.426   4.125   1.238
  198   1HB   PHE  28          2HB       PHE  28   2.006   2.326   0.438
  199   2HB   PHE  28          1HB       PHE  28   2.184   3.884  -0.363
  200    HD1  PHE  28           HD1      PHE  28   3.904   5.493   1.004
  201    HD2  PHE  28           HD2      PHE  28   3.957   1.240   0.911
  202    HE1  PHE  28           HE1      PHE  28   6.296   5.515   1.579
  203    HE2  PHE  28           HE2      PHE  28   6.349   1.254   1.487
  204    HZ   PHE  28           HZ       PHE  28   7.522   3.393   1.822
  205    H    LEU  29           H        LEU  29  -0.381   2.336   2.261
  206    HA   LEU  29           HA       LEU  29   1.069   1.335   4.610
  207   1HB   LEU  29          2HB       LEU  29  -1.414   1.150   5.557
  208   2HB   LEU  29          1HB       LEU  29  -0.400   2.555   5.827
  209    HG   LEU  29           HG       LEU  29  -1.510   3.755   4.031
  210   1HD1  LEU  29          1HD1      LEU  29  -3.736   2.397   3.310
  211   2HD1  LEU  29          2HD1      LEU  29  -2.566   1.082   3.430
  212   3HD1  LEU  29          3HD1      LEU  29  -2.250   2.449   2.362
  213   1HD2  LEU  29          1HD2      LEU  29  -3.985   3.030   5.182
  214   2HD2  LEU  29          2HD2      LEU  29  -2.950   4.399   5.590
  215   3HD2  LEU  29          3HD2      LEU  29  -2.756   2.863   6.435
  216    H    ILE  30           H        ILE  30   0.709  -0.822   5.131
  217    HA   ILE  30           HA       ILE  30  -0.650  -2.372   3.029
  218    HB   ILE  30           HB       ILE  30   1.153  -3.777   4.903
  219   1HG1  ILE  30          2HG1      ILE  30   2.274  -1.545   4.363
  220   2HG1  ILE  30          1HG1      ILE  30   3.189  -3.000   3.980
  221   1HG2  ILE  30          1HG2      ILE  30   1.724  -4.201   2.150
  222   2HG2  ILE  30          2HG2      ILE  30  -0.027  -4.189   2.364
  223   3HG2  ILE  30          3HG2      ILE  30   0.968  -5.301   3.304
  224   1HD1  ILE  30          1HD1      ILE  30   3.394  -2.326   1.890
  225   2HD1  ILE  30          2HD1      ILE  30   2.489  -0.862   2.278
  226   3HD1  ILE  30          3HD1      ILE  30   1.640  -2.299   1.708
  227    H    ARG  31           H        ARG  31  -2.662  -2.840   3.681
  228    HA   ARG  31           HA       ARG  31  -3.039  -3.792   6.443
  229   1HB   ARG  31          2HB       ARG  31  -5.397  -3.129   6.203
  230   2HB   ARG  31          1HB       ARG  31  -4.309  -1.767   5.973
  231   1HG   ARG  31          2HG       ARG  31  -4.582  -2.584   3.424
  232   2HG   ARG  31          1HG       ARG  31  -6.148  -3.066   4.080
  233   1HD   ARG  31          2HD       ARG  31  -6.483  -0.786   4.923
  234   2HD   ARG  31          1HD       ARG  31  -4.927  -0.312   4.243
  235    HE   ARG  31           HE       ARG  31  -5.906  -0.190   2.176
  236   1HH1  ARG  31          2HH1      ARG  31  -8.008  -1.929   4.339
  237   2HH1  ARG  31          1HH1      ARG  31  -9.333  -1.975   3.224
  238   1HH2  ARG  31          1HH2      ARG  31  -7.644  -0.244   0.699
  239   2HH2  ARG  31          2HH2      ARG  31  -9.126  -1.017   1.154
  240    H    VAL  32           H        VAL  32  -5.478  -5.002   6.217
  241    HA   VAL  32           HA       VAL  32  -4.779  -7.391   4.687
  242    HB   VAL  32           HB       VAL  32  -6.550  -8.511   5.968
  243   1HG1  VAL  32          1HG1      VAL  32  -4.123  -7.449   6.986
  244   2HG1  VAL  32          2HG1      VAL  32  -4.950  -8.938   7.444
  245   3HG1  VAL  32          3HG1      VAL  32  -5.316  -7.431   8.284
  246   1HG2  VAL  32          1HG2      VAL  32  -7.339  -7.030   8.015
  247   2HG2  VAL  32          2HG2      VAL  32  -8.217  -7.040   6.485
  248   3HG2  VAL  32          3HG2      VAL  32  -7.097  -5.727   6.851
  249    H    SER  33           H        SER  33  -6.277  -8.444   3.316
  250    HA   SER  33           HA       SER  33  -7.830  -6.646   1.717
  251   1HB   SER  33          2HB       SER  33  -8.491  -9.168   0.838
  252   2HB   SER  33          1HB       SER  33  -7.122  -8.219   0.261
  253    HG   SER  33           HG       SER  33  -7.128 -10.202   2.286
  254    H    GLU  34           H        GLU  34  -9.580  -5.865   2.804
  255    HA   GLU  34           HA       GLU  34 -11.267  -7.415   4.460
  256   1HB   GLU  34          2HB       GLU  34 -11.863  -4.818   3.031
  257   2HB   GLU  34          1HB       GLU  34 -12.801  -5.497   4.354
  258   1HG   GLU  34          2HG       GLU  34  -9.976  -5.208   4.988
  259   2HG   GLU  34          1HG       GLU  34 -10.762  -3.682   4.586
  260    H    LYS  35           H        LYS  35 -11.166  -6.847   1.040
  261    HA   LYS  35           HA       LYS  35 -13.769  -8.154   0.694
  262   1HB   LYS  35          2HB       LYS  35 -12.343  -7.162  -1.693
  263   2HB   LYS  35          1HB       LYS  35 -14.037  -7.015  -1.247
  264   1HG   LYS  35          2HG       LYS  35 -13.602  -4.872  -0.861
  265   2HG   LYS  35          1HG       LYS  35 -12.768  -5.413   0.596
  266   1HD   LYS  35          2HD       LYS  35 -10.711  -5.054  -0.287
  267   2HD   LYS  35          1HD       LYS  35 -11.215  -5.511  -1.916
  268   1HE   LYS  35          2HE       LYS  35 -12.625  -3.247  -1.628
  269   2HE   LYS  35          1HE       LYS  35 -11.258  -2.875  -0.579
  270   1HZ   LYS  35          1HZ       LYS  35 -10.218  -3.975  -2.905
  271   2HZ   LYS  35          2HZ       LYS  35 -10.107  -2.370  -2.385
  272   3HZ   LYS  35          3HZ       LYS  35 -11.378  -2.844  -3.394
  273    HA   PRO  36           HA       PRO  36 -10.691 -10.687  -2.165
  274   1HB   PRO  36          2HB       PRO  36  -8.153 -10.114  -0.744
  275   2HB   PRO  36          1HB       PRO  36  -8.468 -10.245  -2.477
  276   1HG   PRO  36          2HG       PRO  36  -8.035  -7.871  -1.337
  277   2HG   PRO  36          1HG       PRO  36  -9.222  -8.061  -2.642
  278   1HD   PRO  36          2HD       PRO  36  -9.668  -7.809   0.307
  279   2HD   PRO  36          1HD       PRO  36 -10.593  -7.110  -1.037
  280    H    SER  37           H        SER  37  -8.567 -12.250  -1.164
  281    HA   SER  37           HA       SER  37  -9.498 -13.279   1.407
  282   1HB   SER  37          2HB       SER  37 -10.301 -14.459  -0.990
  283   2HB   SER  37          1HB       SER  37  -8.970 -15.470  -0.429
  284    HG   SER  37           HG       SER  37 -10.438 -16.310   0.817
  285    H    ALA  38           H        ALA  38  -7.894 -14.064   2.660
  286    HA   ALA  38           HA       ALA  38  -5.699 -14.130   3.372
  287   1HB   ALA  38          1HB       ALA  38  -6.080 -16.419   2.886
  288   2HB   ALA  38          2HB       ALA  38  -4.480 -16.030   2.253
  289   3HB   ALA  38          3HB       ALA  38  -5.856 -16.160   1.156
  290    H    ASP  39           H        ASP  39  -5.582 -11.849   2.294
  291    HA   ASP  39           HA       ASP  39  -3.077 -11.776   0.861
  292   1HB   ASP  39          2HB       ASP  39  -5.666 -11.182  -0.453
  293   2HB   ASP  39          1HB       ASP  39  -4.364 -10.034  -0.750
  294    H    TYR  40           H        TYR  40  -2.946  -9.176   0.127
  295    HA   TYR  40           HA       TYR  40  -3.762  -7.591   2.451
  296   1HB   TYR  40          2HB       TYR  40  -1.006  -8.314   1.694
  297   2HB   TYR  40          1HB       TYR  40  -1.258  -6.601   2.015
  298    HD1  TYR  40           HD1      TYR  40  -2.289  -9.860   3.544
  299    HD2  TYR  40           HD2      TYR  40  -0.785  -5.929   4.163
  300    HE1  TYR  40           HE1      TYR  40  -2.146 -10.302   5.959
  301    HE2  TYR  40           HE2      TYR  40  -0.637  -6.360   6.580
  302    HH   TYR  40           HH       TYR  40  -0.398  -8.832   7.998
  303    H    VAL  41           H        VAL  41  -4.085  -5.420   2.044
  304    HA   VAL  41           HA       VAL  41  -3.849  -4.611  -0.782
  305    HB   VAL  41           HB       VAL  41  -5.785  -3.107  -0.379
  306   1HG1  VAL  41          1HG1      VAL  41  -5.825  -6.006  -0.509
  307   2HG1  VAL  41          2HG1      VAL  41  -6.770  -4.820  -1.410
  308   3HG1  VAL  41          3HG1      VAL  41  -7.306  -5.346   0.185
  309   1HG2  VAL  41          1HG2      VAL  41  -5.504  -4.231   2.335
  310   2HG2  VAL  41          2HG2      VAL  41  -7.152  -4.074   1.727
  311   3HG2  VAL  41          3HG2      VAL  41  -6.106  -2.657   1.812
  312    H    LEU  42           H        LEU  42  -2.990  -2.638  -1.254
  313    HA   LEU  42           HA       LEU  42  -1.955  -1.089   1.028
  314   1HB   LEU  42          2HB       LEU  42  -0.118  -2.018  -0.155
  315   2HB   LEU  42          1HB       LEU  42  -0.807  -1.586  -1.708
  316    HG   LEU  42           HG       LEU  42  -0.548   0.867  -0.836
  317   1HD1  LEU  42          1HD1      LEU  42   0.550  -0.578   1.320
  318   2HD1  LEU  42          2HD1      LEU  42   0.509   1.170   1.086
  319   3HD1  LEU  42          3HD1      LEU  42   1.888   0.235   0.507
  320   1HD2  LEU  42          1HD2      LEU  42   0.740  -0.527  -2.654
  321   2HD2  LEU  42          2HD2      LEU  42   2.053  -0.430  -1.480
  322   3HD2  LEU  42          3HD2      LEU  42   1.337   1.046  -2.125
  323    H    SER  43           H        SER  43  -2.189   1.115   1.047
  324    HA   SER  43           HA       SER  43  -3.725   2.306  -1.163
  325   1HB   SER  43          2HB       SER  43  -5.354   3.062   0.211
  326   2HB   SER  43          1HB       SER  43  -4.776   1.819   1.320
  327    HG   SER  43           HG       SER  43  -4.697   4.500   1.576
  328    H    VAL  44           H        VAL  44  -2.936   4.156  -1.954
  329    HA   VAL  44           HA       VAL  44  -0.951   5.625  -0.352
  330    HB   VAL  44           HB       VAL  44   0.201   4.286  -2.075
  331   1HG1  VAL  44          1HG1      VAL  44  -0.363   4.243  -4.254
  332   2HG1  VAL  44          2HG1      VAL  44  -0.772   5.958  -4.291
  333   3HG1  VAL  44          3HG1      VAL  44  -1.931   4.788  -3.659
  334   1HG2  VAL  44          1HG2      VAL  44   0.841   6.734  -3.321
  335   2HG2  VAL  44          2HG2      VAL  44   1.683   5.937  -1.992
  336   3HG2  VAL  44          3HG2      VAL  44   0.405   7.105  -1.653
  337    H    ARG  45           H        ARG  45  -1.161   7.782  -0.309
  338    HA   ARG  45           HA       ARG  45  -3.532   8.985  -1.280
  339   1HB   ARG  45          2HB       ARG  45  -2.609   9.908   0.690
  340   2HB   ARG  45          1HB       ARG  45  -1.018  10.080  -0.038
  341   1HG   ARG  45          2HG       ARG  45  -1.952  11.808  -1.551
  342   2HG   ARG  45          1HG       ARG  45  -3.481  11.689  -0.676
  343   1HD   ARG  45          2HD       ARG  45  -1.609  12.016   1.327
  344   2HD   ARG  45          1HD       ARG  45  -1.020  13.066   0.039
  345    HE   ARG  45           HE       ARG  45  -3.462  13.378   1.571
  346   1HH1  ARG  45          2HH1      ARG  45  -1.600  14.337  -1.211
  347   2HH1  ARG  45          1HH1      ARG  45  -2.436  15.840  -1.415
  348   1HH2  ARG  45          1HH2      ARG  45  -4.570  15.355   1.313
  349   2HH2  ARG  45          2HH2      ARG  45  -4.124  16.419   0.021
  350    H    ASP  46           H        ASP  46  -0.675   8.210  -2.847
  351    HA   ASP  46           HA       ASP  46   0.244   8.765  -4.854
  352   1HB   ASP  46          2HB       ASP  46  -2.659   9.142  -5.164
  353   2HB   ASP  46          1HB       ASP  46  -1.680   9.987  -6.359
  354    H    THR  47           H        THR  47  -2.005  11.427  -5.117
  355    HA   THR  47           HA       THR  47  -0.028  13.363  -4.227
  356    HB   THR  47           HB       THR  47   0.673  13.184  -6.487
  357    HG1  THR  47           HG1      THR  47   0.649  15.271  -6.475
  358   1HG2  THR  47          1HG2      THR  47  -0.958  12.024  -7.652
  359   2HG2  THR  47          2HG2      THR  47  -1.032  13.644  -8.345
  360   3HG2  THR  47          3HG2      THR  47  -2.237  13.134  -7.163
  361    H    GLN  48           H        GLN  48  -2.893  12.360  -3.754
  362    HA   GLN  48           HA       GLN  48  -3.990  14.703  -2.769
  363   1HB   GLN  48          2HB       GLN  48  -4.601  14.185  -5.619
  364   2HB   GLN  48          1HB       GLN  48  -5.966  14.630  -4.604
  365   1HG   GLN  48          2HG       GLN  48  -3.965  16.440  -3.935
  366   2HG   GLN  48          1HG       GLN  48  -3.860  16.271  -5.687
  367   1HE2  GLN  48          1HE2      GLN  48  -4.782  18.493  -3.953
  368   2HE2  GLN  48          2HE2      GLN  48  -6.370  18.876  -4.514
  369    H    ALA  49           H        ALA  49  -6.024  12.635  -4.719
  370    HA   ALA  49           HA       ALA  49  -7.656  11.874  -2.564
  371   1HB   ALA  49          1HB       ALA  49  -8.941  11.412  -4.318
  372   2HB   ALA  49          2HB       ALA  49  -8.003   9.936  -4.543
  373   3HB   ALA  49          3HB       ALA  49  -7.553  11.407  -5.405
  374    H    VAL  50           H        VAL  50  -8.097   9.186  -2.732
  375    HA   VAL  50           HA       VAL  50  -5.569   8.049  -1.729
  376    HB   VAL  50           HB       VAL  50  -8.389   7.394  -0.863
  377   1HG1  VAL  50          1HG1      VAL  50  -6.049   6.385   0.634
  378   2HG1  VAL  50          2HG1      VAL  50  -6.386   5.617  -0.917
  379   3HG1  VAL  50          3HG1      VAL  50  -7.620   5.639   0.343
  380   1HG2  VAL  50          1HG2      VAL  50  -8.132   9.122   0.518
  381   2HG2  VAL  50          2HG2      VAL  50  -6.445   9.329   0.050
  382   3HG2  VAL  50          3HG2      VAL  50  -6.872   8.192   1.328
  383    H    ARG  51           H        ARG  51  -4.785   6.358  -2.797
  384    HA   ARG  51           HA       ARG  51  -6.606   4.849  -4.555
  385   1HB   ARG  51          2HB       ARG  51  -3.630   5.088  -4.958
  386   2HB   ARG  51          1HB       ARG  51  -4.842   4.541  -6.108
  387   1HG   ARG  51          2HG       ARG  51  -5.764   6.992  -5.757
  388   2HG   ARG  51          1HG       ARG  51  -4.084   7.295  -5.310
  389   1HD   ARG  51          2HD       ARG  51  -3.567   7.410  -7.466
  390   2HD   ARG  51          1HD       ARG  51  -4.024   5.716  -7.638
  391    HE   ARG  51           HE       ARG  51  -6.313   7.378  -7.736
  392   1HH1  ARG  51          2HH1      ARG  51  -3.553   6.393  -9.616
  393   2HH1  ARG  51          1HH1      ARG  51  -4.334   6.657 -11.140
  394   1HH2  ARG  51          1HH2      ARG  51  -7.352   7.728  -9.736
  395   2HH2  ARG  51          2HH2      ARG  51  -6.493   7.417 -11.208
  396    H    HIS  52           H        HIS  52  -6.796   2.723  -4.224
  397    HA   HIS  52           HA       HIS  52  -4.939   1.464  -2.317
  398   1HB   HIS  52          2HB       HIS  52  -7.755   0.592  -2.988
  399   2HB   HIS  52          1HB       HIS  52  -6.727  -0.045  -1.708
  400    HD1  HIS  52           HD1      HIS  52  -6.588   1.288   0.469
  401    HD2  HIS  52           HD2      HIS  52  -8.907   3.118  -2.453
  402    HE1  HIS  52           HE1      HIS  52  -7.794   3.156   1.642
  403    HE2  HIS  52           HE2      HIS  52  -9.119   4.308  -0.166
  404    H    TYR  53           H        TYR  53  -4.705  -0.942  -2.627
  405    HA   TYR  53           HA       TYR  53  -5.036  -1.928  -5.323
  406   1HB   TYR  53          2HB       TYR  53  -2.225  -1.921  -4.267
  407   2HB   TYR  53          1HB       TYR  53  -2.786  -2.147  -5.921
  408    HD1  TYR  53           HD1      TYR  53  -3.646  -0.164  -7.198
  409    HD2  TYR  53           HD2      TYR  53  -1.687   0.231  -3.443
  410    HE1  TYR  53           HE1      TYR  53  -3.243   2.216  -7.666
  411    HE2  TYR  53           HE2      TYR  53  -1.278   2.612  -3.899
  412    HH   TYR  53           HH       TYR  53  -1.092   4.016  -6.324
  413    H    LYS  54           H        LYS  54  -4.927  -4.157  -5.463
  414    HA   LYS  54           HA       LYS  54  -4.979  -5.544  -2.899
  415   1HB   LYS  54          2HB       LYS  54  -6.843  -5.972  -4.372
  416   2HB   LYS  54          1HB       LYS  54  -5.760  -6.414  -5.684
  417   1HG   LYS  54          2HG       LYS  54  -4.961  -8.311  -4.233
  418   2HG   LYS  54          1HG       LYS  54  -6.297  -7.928  -3.146
  419   1HD   LYS  54          2HD       LYS  54  -7.260  -9.543  -4.471
  420   2HD   LYS  54          1HD       LYS  54  -7.724  -8.077  -5.338
  421   1HE   LYS  54          2HE       LYS  54  -5.441  -8.503  -6.584
  422   2HE   LYS  54          1HE       LYS  54  -5.719 -10.161  -6.052
  423   1HZ   LYS  54          1HZ       LYS  54  -6.836 -10.224  -8.001
  424   2HZ   LYS  54          2HZ       LYS  54  -7.179  -8.568  -8.009
  425   3HZ   LYS  54          3HZ       LYS  54  -8.096  -9.615  -7.049
  426    H    ILE  55           H        ILE  55  -3.404  -6.839  -2.196
  427    HA   ILE  55           HA       ILE  55  -1.158  -7.382  -4.011
  428    HB   ILE  55           HB       ILE  55  -1.054  -7.785  -1.040
  429   1HG1  ILE  55          2HG1      ILE  55  -0.225  -5.193  -2.308
  430   2HG1  ILE  55          1HG1      ILE  55  -1.891  -5.429  -1.792
  431   1HG2  ILE  55          1HG2      ILE  55   1.153  -8.038  -1.339
  432   2HG2  ILE  55          2HG2      ILE  55   1.247  -6.717  -2.504
  433   3HG2  ILE  55          3HG2      ILE  55   0.727  -8.318  -3.028
  434   1HD1  ILE  55          1HD1      ILE  55   0.425  -4.770  -0.239
  435   2HD1  ILE  55          2HD1      ILE  55  -0.323  -6.248   0.364
  436   3HD1  ILE  55          3HD1      ILE  55  -1.276  -4.771   0.225
  437    H    TRP  56           H        TRP  56  -1.522  -9.283  -5.008
  438    HA   TRP  56           HA       TRP  56  -2.664 -11.521  -3.548
  439   1HB   TRP  56          2HB       TRP  56  -3.049 -10.780  -6.072
  440   2HB   TRP  56          1HB       TRP  56  -1.645 -11.809  -6.337
  441    HD1  TRP  56           HD1      TRP  56  -2.294 -14.166  -4.350
  442    HE1  TRP  56           HE1      TRP  56  -4.257 -15.758  -4.837
  443    HE3  TRP  56           HE3      TRP  56  -5.009 -11.174  -7.484
  444    HZ2  TRP  56           HZ2      TRP  56  -6.641 -15.747  -6.348
  445    HZ3  TRP  56           HZ3      TRP  56  -7.119 -12.041  -8.407
  446    HH2  TRP  56           HH2      TRP  56  -7.916 -14.281  -7.850
  447    H    ARG  57           H        ARG  57  -1.540 -13.147  -2.688
  448    HA   ARG  57           HA       ARG  57   1.361 -13.108  -2.932
  449   1HB   ARG  57          2HB       ARG  57   0.291 -13.277  -0.701
  450   2HB   ARG  57          1HB       ARG  57  -0.406 -14.820  -1.174
  451   1HG   ARG  57          2HG       ARG  57   2.050 -15.509  -1.625
  452   2HG   ARG  57          1HG       ARG  57   2.440 -14.132  -0.593
  453   1HD   ARG  57          2HD       ARG  57   0.352 -15.909   0.456
  454   2HD   ARG  57          1HD       ARG  57   1.943 -16.652   0.300
  455    HE   ARG  57           HE       ARG  57   2.224 -14.154   1.546
  456   1HH1  ARG  57          2HH1      ARG  57   0.919 -17.322   2.165
  457   2HH1  ARG  57          1HH1      ARG  57   1.157 -17.228   3.878
  458   1HH2  ARG  57          1HH2      ARG  57   2.543 -14.019   3.801
  459   2HH2  ARG  57          2HH2      ARG  57   2.080 -15.349   4.808
  460    H    ARG  58           H        ARG  58   2.585 -15.032  -3.370
  461    HA   ARG  58           HA       ARG  58   1.317 -16.672  -5.416
  462   1HB   ARG  58          2HB       ARG  58   4.192 -16.324  -4.566
  463   2HB   ARG  58          1HB       ARG  58   3.684 -17.485  -5.784
  464   1HG   ARG  58          2HG       ARG  58   2.529 -15.136  -6.635
  465   2HG   ARG  58          1HG       ARG  58   4.090 -14.619  -5.994
  466   1HD   ARG  58          2HD       ARG  58   5.110 -15.383  -7.810
  467   2HD   ARG  58          1HD       ARG  58   4.477 -17.000  -7.504
  468    HE   ARG  58           HE       ARG  58   2.468 -15.444  -8.696
  469   1HH1  ARG  58          2HH1      ARG  58   5.533 -16.907  -9.465
  470   2HH1  ARG  58          1HH1      ARG  58   5.163 -17.108 -11.146
  471   1HH2  ARG  58          1HH2      ARG  58   1.970 -15.703 -10.907
  472   2HH2  ARG  58          2HH2      ARG  58   3.137 -16.422 -11.965
  473    H    ALA  59           H        ALA  59   0.649 -17.077  -2.608
  474    HA   ALA  59           HA       ALA  59   0.564 -18.702  -0.986
  475   1HB   ALA  59          1HB       ALA  59   0.346 -20.262  -3.552
  476   2HB   ALA  59          2HB       ALA  59  -0.963 -19.623  -2.557
  477   3HB   ALA  59          3HB       ALA  59   0.029 -20.955  -1.961
  478    H    GLY  60           H        GLY  60   2.795 -18.282  -0.301
  479   1HA   GLY  60          2HA       GLY  60   4.264 -20.421   0.380
  480   2HA   GLY  60          1HA       GLY  60   4.841 -20.108  -1.249
  481    H    GLY  61           H        GLY  61   4.707 -17.278  -1.185
  482   1HA   GLY  61          2HA       GLY  61   5.700 -15.800   0.793
  483   2HA   GLY  61          1HA       GLY  61   7.107 -16.771   0.387
  484    H    ARG  62           H        ARG  62   4.619 -14.831  -1.274
  485    HA   ARG  62           HA       ARG  62   6.507 -13.059  -2.417
  486   1HB   ARG  62          2HB       ARG  62   6.722 -15.330  -3.726
  487   2HB   ARG  62          1HB       ARG  62   5.254 -14.779  -4.521
  488   1HG   ARG  62          2HG       ARG  62   6.382 -12.754  -5.247
  489   2HG   ARG  62          1HG       ARG  62   7.850 -13.257  -4.407
  490   1HD   ARG  62          2HD       ARG  62   6.932 -15.352  -6.144
  491   2HD   ARG  62          1HD       ARG  62   7.091 -13.845  -7.044
  492    HE   ARG  62           HE       ARG  62   9.375 -14.276  -5.434
  493   1HH1  ARG  62          2HH1      ARG  62   7.821 -15.401  -8.339
  494   2HH1  ARG  62          1HH1      ARG  62   9.299 -15.901  -9.092
  495   1HH2  ARG  62          1HH2      ARG  62  11.328 -14.930  -6.414
  496   2HH2  ARG  62          2HH2      ARG  62  11.293 -15.633  -7.997
  497    H    LEU  63           H        LEU  63   5.349 -11.257  -2.343
  498    HA   LEU  63           HA       LEU  63   2.482 -11.367  -2.947
  499   1HB   LEU  63          2HB       LEU  63   4.212  -9.579  -1.320
  500   2HB   LEU  63          1HB       LEU  63   2.793  -8.870  -2.066
  501    HG   LEU  63           HG       LEU  63   2.324  -9.556   0.224
  502   1HD1  LEU  63          1HD1      LEU  63   0.539 -11.427  -0.521
  503   2HD1  LEU  63          2HD1      LEU  63   0.938 -10.732  -2.093
  504   3HD1  LEU  63          3HD1      LEU  63   0.324  -9.699  -0.802
  505   1HD2  LEU  63          1HD2      LEU  63   2.989 -12.343  -0.715
  506   2HD2  LEU  63          2HD2      LEU  63   2.356 -11.902   0.871
  507   3HD2  LEU  63          3HD2      LEU  63   3.964 -11.367   0.384
  508    H    HIS  64           H        HIS  64   1.533 -10.068  -4.495
  509    HA   HIS  64           HA       HIS  64   3.148  -8.234  -6.049
  510   1HB   HIS  64          2HB       HIS  64   2.899  -9.331  -8.157
  511   2HB   HIS  64          1HB       HIS  64   3.549 -10.522  -7.035
  512    HD1  HIS  64           HD1      HIS  64   0.591  -9.769  -9.143
  513    HD2  HIS  64           HD2      HIS  64   1.744 -12.588  -6.316
  514    HE1  HIS  64           HE1      HIS  64  -1.087 -11.633  -9.329
  515    HE2  HIS  64           HE2      HIS  64  -0.319 -13.366  -7.669
  516    H    LEU  65           H        LEU  65   1.910  -6.505  -6.286
  517    HA   LEU  65           HA       LEU  65  -0.917  -6.580  -5.924
  518   1HB   LEU  65          2HB       LEU  65   0.914  -4.380  -6.879
  519   2HB   LEU  65          1HB       LEU  65  -0.794  -4.163  -6.548
  520    HG   LEU  65           HG       LEU  65  -0.178  -5.078  -4.179
  521   1HD1  LEU  65          1HD1      LEU  65   2.297  -3.834  -4.002
  522   2HD1  LEU  65          2HD1      LEU  65   2.405  -4.837  -5.449
  523   3HD1  LEU  65          3HD1      LEU  65   1.971  -5.565  -3.901
  524   1HD2  LEU  65          1HD2      LEU  65  -0.469  -2.536  -5.305
  525   2HD2  LEU  65          2HD2      LEU  65   0.938  -2.429  -4.248
  526   3HD2  LEU  65          3HD2      LEU  65  -0.609  -2.977  -3.603
  527    H    ASN  66           H        ASN  66   1.068  -7.181  -8.579
  528    HA   ASN  66           HA       ASN  66  -1.219  -7.343 -10.337
  529   1HB   ASN  66          2HB       ASN  66   0.459  -5.045 -10.419
  530   2HB   ASN  66          1HB       ASN  66   0.775  -5.991 -11.870
  531   1HD2  ASN  66          1HD2      ASN  66  -0.186  -4.553 -13.253
  532   2HD2  ASN  66          2HD2      ASN  66  -1.891  -4.281 -13.295
  533    H    GLU  67           H        GLU  67  -0.302  -7.992 -12.656
  534    HA   GLU  67           HA       GLU  67   1.242 -10.385 -12.184
  535   1HB   GLU  67          2HB       GLU  67   0.125  -9.295 -14.773
  536   2HB   GLU  67          1HB       GLU  67   0.752 -10.917 -14.516
  537   1HG   GLU  67          2HG       GLU  67  -1.105 -11.616 -13.420
  538   2HG   GLU  67          1HG       GLU  67  -1.447 -10.022 -12.752
  539    H    ALA  68           H        ALA  68   2.257  -7.384 -12.375
  540    HA   ALA  68           HA       ALA  68   4.702  -8.118 -13.830
  541   1HB   ALA  68          1HB       ALA  68   3.861  -6.724 -15.431
  542   2HB   ALA  68          2HB       ALA  68   4.696  -5.544 -14.420
  543   3HB   ALA  68          3HB       ALA  68   2.951  -5.757 -14.271
  544    H    VAL  69           H        VAL  69   3.602  -7.626 -10.930
  545    HA   VAL  69           HA       VAL  69   6.065  -6.361 -10.003
  546    HB   VAL  69           HB       VAL  69   4.832  -4.961  -8.369
  547   1HG1  VAL  69          1HG1      VAL  69   3.771  -3.463 -10.322
  548   2HG1  VAL  69          2HG1      VAL  69   4.756  -4.556 -11.294
  549   3HG1  VAL  69          3HG1      VAL  69   5.507  -3.582 -10.031
  550   1HG2  VAL  69          1HG2      VAL  69   2.330  -4.727  -9.657
  551   2HG2  VAL  69          2HG2      VAL  69   2.665  -5.298  -8.022
  552   3HG2  VAL  69          3HG2      VAL  69   2.604  -6.444  -9.361
  553    H    SER  70           H        SER  70   6.550  -8.539  -9.379
  554    HA   SER  70           HA       SER  70   5.070  -9.426  -6.989
  555   1HB   SER  70          2HB       SER  70   6.668 -11.530  -8.145
  556   2HB   SER  70          1HB       SER  70   4.927 -11.485  -7.865
  557    HG   SER  70           HG       SER  70   4.929 -10.130  -9.872
  558    H    PHE  71           H        PHE  71   6.223 -10.038  -5.183
  559    HA   PHE  71           HA       PHE  71   9.134  -9.994  -5.277
  560   1HB   PHE  71          2HB       PHE  71   7.565  -7.788  -4.308
  561   2HB   PHE  71          1HB       PHE  71   8.477  -8.495  -2.977
  562    HD1  PHE  71           HD1      PHE  71   8.656  -6.639  -6.095
  563    HD2  PHE  71           HD2      PHE  71  10.922  -8.533  -3.031
  564    HE1  PHE  71           HE1      PHE  71  10.671  -5.449  -6.855
  565    HE2  PHE  71           HE2      PHE  71  12.941  -7.346  -3.784
  566    HZ   PHE  71           HZ       PHE  71  12.817  -5.801  -5.698
  567    H    LEU  72           H        LEU  72  10.010 -11.448  -3.961
  568    HA   LEU  72           HA       LEU  72   8.834 -13.544  -2.837
  569   1HB   LEU  72          2HB       LEU  72  10.691 -13.375  -0.996
  570   2HB   LEU  72          1HB       LEU  72  11.111 -13.663  -2.675
  571    HG   LEU  72           HG       LEU  72  11.207 -10.954  -2.610
  572   1HD1  LEU  72          1HD1      LEU  72  11.152 -10.232  -0.504
  573   2HD1  LEU  72          2HD1      LEU  72  12.755 -10.945  -0.328
  574   3HD1  LEU  72          3HD1      LEU  72  11.325 -11.862   0.146
  575   1HD2  LEU  72          1HD2      LEU  72  12.954 -13.045  -2.988
  576   2HD2  LEU  72          2HD2      LEU  72  13.699 -12.134  -1.674
  577   3HD2  LEU  72          3HD2      LEU  72  13.326 -11.334  -3.201
  578    H    SER  73           H        SER  73   9.214 -10.438  -1.153
  579    HA   SER  73           HA       SER  73   7.058 -11.269   0.662
  580   1HB   SER  73          2HB       SER  73   9.098 -11.555   1.929
  581   2HB   SER  73          1HB       SER  73   9.656  -9.946   1.470
  582    HG   SER  73           HG       SER  73   7.606 -10.680   3.251
  583    H    LEU  74           H        LEU  74   6.415  -9.229   2.046
  584    HA   LEU  74           HA       LEU  74   5.388  -7.325   0.205
  585   1HB   LEU  74          2HB       LEU  74   4.653  -8.174   2.675
  586   2HB   LEU  74          1HB       LEU  74   5.377  -6.626   3.069
  587    HG   LEU  74           HG       LEU  74   3.233  -5.940   2.746
  588   1HD1  LEU  74          1HD1      LEU  74   4.903  -5.222   0.759
  589   2HD1  LEU  74          2HD1      LEU  74   3.257  -4.613   0.927
  590   3HD1  LEU  74          3HD1      LEU  74   3.595  -5.947  -0.176
  591   1HD2  LEU  74          1HD2      LEU  74   2.415  -7.470   0.413
  592   2HD2  LEU  74          2HD2      LEU  74   1.615  -7.266   1.972
  593   3HD2  LEU  74          3HD2      LEU  74   2.868  -8.492   1.777
  594    HA   PRO  75           HA       PRO  75   8.326  -4.213   2.749
  595   1HB   PRO  75          2HB       PRO  75  10.642  -5.775   3.305
  596   2HB   PRO  75          1HB       PRO  75   9.548  -5.023   4.466
  597   1HG   PRO  75          2HG       PRO  75   9.638  -7.818   3.491
  598   2HG   PRO  75          1HG       PRO  75   9.067  -7.183   5.044
  599   1HD   PRO  75          2HD       PRO  75   7.360  -8.068   3.174
  600   2HD   PRO  75          1HD       PRO  75   6.965  -6.674   4.202
  601    H    GLU  76           H        GLU  76   9.543  -6.949   0.852
  602    HA   GLU  76           HA       GLU  76  11.485  -5.347  -0.538
  603   1HB   GLU  76          2HB       GLU  76  10.453  -8.100  -1.242
  604   2HB   GLU  76          1HB       GLU  76  11.924  -7.346  -1.842
  605   1HG   GLU  76          2HG       GLU  76  11.344  -8.485   0.851
  606   2HG   GLU  76          1HG       GLU  76  12.715  -8.774  -0.219
  607    H    LEU  77           H        LEU  77   8.277  -6.650  -1.221
  608    HA   LEU  77           HA       LEU  77   8.072  -6.025  -3.918
  609   1HB   LEU  77          2HB       LEU  77   6.368  -7.343  -2.938
  610   2HB   LEU  77          1HB       LEU  77   6.025  -6.131  -1.718
  611    HG   LEU  77           HG       LEU  77   4.355  -6.427  -3.653
  612   1HD1  LEU  77          1HD1      LEU  77   3.680  -4.595  -2.578
  613   2HD1  LEU  77          2HD1      LEU  77   4.534  -3.685  -3.824
  614   3HD1  LEU  77          3HD1      LEU  77   5.333  -4.050  -2.295
  615   1HD2  LEU  77          1HD2      LEU  77   6.663  -5.886  -5.147
  616   2HD2  LEU  77          2HD2      LEU  77   5.652  -4.446  -5.275
  617   3HD2  LEU  77          3HD2      LEU  77   5.006  -6.020  -5.736
  618    H    VAL  78           H        VAL  78   7.465  -4.007  -1.079
  619    HA   VAL  78           HA       VAL  78   6.481  -1.755  -2.466
  620    HB   VAL  78           HB       VAL  78   7.899  -1.851   0.200
  621   1HG1  VAL  78          1HG1      VAL  78   7.675   0.354   0.305
  622   2HG1  VAL  78          2HG1      VAL  78   5.947   0.222  -0.025
  623   3HG1  VAL  78          3HG1      VAL  78   7.092   0.354  -1.360
  624   1HG2  VAL  78          1HG2      VAL  78   6.093  -2.963   0.885
  625   2HG2  VAL  78          2HG2      VAL  78   5.264  -2.704  -0.650
  626   3HG2  VAL  78          3HG2      VAL  78   5.184  -1.476   0.613
  627    H    ASN  79           H        ASN  79   9.729  -2.507  -1.215
  628    HA   ASN  79           HA       ASN  79  11.162  -0.306  -1.751
  629   1HB   ASN  79          2HB       ASN  79  11.851  -2.849  -1.205
  630   2HB   ASN  79          1HB       ASN  79  12.362  -2.771  -2.889
  631   1HD2  ASN  79          1HD2      ASN  79  14.497  -3.091  -1.997
  632   2HD2  ASN  79          2HD2      ASN  79  15.382  -1.729  -1.407
  633    H    TYR  80           H        TYR  80  10.155  -2.663  -4.204
  634    HA   TYR  80           HA       TYR  80  11.359  -1.275  -6.379
  635   1HB   TYR  80          2HB       TYR  80  10.951  -3.606  -6.663
  636   2HB   TYR  80          1HB       TYR  80   9.252  -3.431  -6.237
  637    HD1  TYR  80           HD1      TYR  80   7.665  -2.446  -7.842
  638    HD2  TYR  80           HD2      TYR  80  11.730  -3.144  -8.886
  639    HE1  TYR  80           HE1      TYR  80   7.090  -2.203 -10.221
  640    HE2  TYR  80           HE2      TYR  80  11.166  -2.903 -11.267
  641    HH   TYR  80           HH       TYR  80   8.609  -3.269 -12.599
  642    H    HIS  81           H        HIS  81   8.164  -1.253  -4.908
  643    HA   HIS  81           HA       HIS  81   6.785   0.179  -6.876
  644   1HB   HIS  81          2HB       HIS  81   6.375  -0.524  -4.066
  645   2HB   HIS  81          1HB       HIS  81   5.648   1.019  -4.503
  646    HD1  HIS  81           HD1      HIS  81   4.939   0.046  -7.482
  647    HD2  HIS  81           HD2      HIS  81   3.934  -1.850  -3.923
  648    HE1  HIS  81           HE1      HIS  81   2.927  -1.365  -8.016
  649    HE2  HIS  81           HE2      HIS  81   2.391  -2.570  -5.869
  650    H    ARG  82           H        ARG  82   8.827   1.269  -4.220
  651    HA   ARG  82           HA       ARG  82   8.232   4.020  -4.428
  652   1HB   ARG  82          2HB       ARG  82   9.274   3.260  -2.431
  653   2HB   ARG  82          1HB       ARG  82  10.602   2.526  -3.319
  654   1HG   ARG  82          2HG       ARG  82  11.385   4.749  -3.979
  655   2HG   ARG  82          1HG       ARG  82  10.060   5.478  -3.069
  656   1HD   ARG  82          2HD       ARG  82  11.389   5.488  -1.287
  657   2HD   ARG  82          1HD       ARG  82  11.301   3.727  -1.285
  658    HE   ARG  82           HE       ARG  82  13.269   4.276  -3.076
  659   1HH1  ARG  82          2HH1      ARG  82  12.679   5.182   0.234
  660   2HH1  ARG  82          1HH1      ARG  82  14.359   5.307   0.636
  661   1HH2  ARG  82          1HH2      ARG  82  15.485   4.437  -2.558
  662   2HH2  ARG  82          2HH2      ARG  82  15.954   4.884  -0.952
  663    H    ALA  83           H        ALA  83  10.856   2.060  -5.791
  664    HA   ALA  83           HA       ALA  83  12.089   4.213  -7.174
  665   1HB   ALA  83          1HB       ALA  83  12.385   1.396  -8.105
  666   2HB   ALA  83          2HB       ALA  83  13.003   1.847  -6.516
  667   3HB   ALA  83          3HB       ALA  83  13.597   2.669  -7.959
  668    H    GLN  84           H        GLN  84  10.135   1.476  -8.365
  669    HA   GLN  84           HA       GLN  84   9.684   2.914 -10.868
  670   1HB   GLN  84          2HB       GLN  84  10.234   0.305 -10.436
  671   2HB   GLN  84          1HB       GLN  84   8.477   0.243 -10.455
  672   1HG   GLN  84          2HG       GLN  84   8.435   0.377 -12.660
  673   2HG   GLN  84          1HG       GLN  84   9.427   1.834 -12.642
  674   1HE2  GLN  84          1HE2      GLN  84  11.767   1.513 -12.447
  675   2HE2  GLN  84          2HE2      GLN  84  12.477   0.132 -13.204
  676    H    SER  85           H        SER  85   7.824   3.895 -11.354
  677    HA   SER  85           HA       SER  85   5.645   3.753  -9.412
  678   1HB   SER  85          2HB       SER  85   5.036   5.618 -11.455
  679   2HB   SER  85          1HB       SER  85   5.532   5.956  -9.797
  680    HG   SER  85           HG       SER  85   7.062   6.916 -10.998
  681    H    LEU  86           H        LEU  86   6.395   1.850 -11.781
  682    HA   LEU  86           HA       LEU  86   4.608   1.781 -13.798
  683   1HB   LEU  86          2HB       LEU  86   6.250   0.047 -13.539
  684   2HB   LEU  86          1HB       LEU  86   5.495  -0.517 -12.060
  685    HG   LEU  86           HG       LEU  86   3.497  -0.676 -14.024
  686   1HD1  LEU  86          1HD1      LEU  86   4.961  -0.536 -15.845
  687   2HD1  LEU  86          2HD1      LEU  86   4.700  -2.265 -15.614
  688   3HD1  LEU  86          3HD1      LEU  86   6.190  -1.515 -15.044
  689   1HD2  LEU  86          1HD2      LEU  86   4.466  -2.198 -12.005
  690   2HD2  LEU  86          2HD2      LEU  86   5.000  -3.124 -13.407
  691   3HD2  LEU  86          3HD2      LEU  86   3.289  -2.755 -13.194
  692    H    SER  87           H        SER  87   3.784  -0.523 -11.292
  693    HA   SER  87           HA       SER  87   0.981  -0.004 -11.673
  694   1HB   SER  87          2HB       SER  87   2.471  -2.206 -10.880
  695   2HB   SER  87          1HB       SER  87   1.646  -1.711  -9.402
  696    HG   SER  87           HG       SER  87  -0.312  -1.689 -10.732
  697    H    HIS  88           H        HIS  88   1.885   2.333 -10.830
  698    HA   HIS  88           HA       HIS  88   0.453   2.771  -8.408
  699   1HB   HIS  88          2HB       HIS  88   3.189   2.129  -8.110
  700   2HB   HIS  88          1HB       HIS  88   3.049   3.861  -7.830
  701    HD1  HIS  88           HD1      HIS  88   1.929   0.553  -6.457
  702    HD2  HIS  88           HD2      HIS  88   1.760   4.588  -5.477
  703    HE1  HIS  88           HE1      HIS  88   1.106   0.634  -4.083
  704    HE2  HIS  88           HE2      HIS  88   0.930   3.088  -3.540
  705    H    GLY  89           H        GLY  89  -0.466   4.705  -8.596
  706   1HA   GLY  89          2HA       GLY  89   0.176   6.463 -10.726
  707   2HA   GLY  89          1HA       GLY  89  -0.949   6.796  -9.417
  708    H    LEU  90           H        LEU  90   1.723   6.025  -7.804
  709    HA   LEU  90           HA       LEU  90   3.373   8.317  -8.181
  710   1HB   LEU  90          2HB       LEU  90   1.186   9.094  -6.966
  711   2HB   LEU  90          1HB       LEU  90   1.933   8.359  -5.560
  712    HG   LEU  90           HG       LEU  90   3.826  10.083  -6.868
  713   1HD1  LEU  90          1HD1      LEU  90   2.551  11.764  -7.562
  714   2HD1  LEU  90          2HD1      LEU  90   2.132  12.050  -5.873
  715   3HD1  LEU  90          3HD1      LEU  90   1.100  11.031  -6.877
  716   1HD2  LEU  90          1HD2      LEU  90   2.629   9.665  -4.195
  717   2HD2  LEU  90          2HD2      LEU  90   3.367  11.237  -4.506
  718   3HD2  LEU  90          3HD2      LEU  90   4.322   9.764  -4.679
  719    H    ARG  91           H        ARG  91   5.305   7.489  -7.771
  720    HA   ARG  91           HA       ARG  91   5.888   5.137  -6.483
  721   1HB   ARG  91          2HB       ARG  91   7.479   7.602  -7.055
  722   2HB   ARG  91          1HB       ARG  91   8.189   6.352  -6.042
  723   1HG   ARG  91          2HG       ARG  91   8.275   4.819  -7.757
  724   2HG   ARG  91          1HG       ARG  91   6.992   5.613  -8.672
  725   1HD   ARG  91          2HD       ARG  91   9.741   6.767  -8.223
  726   2HD   ARG  91          1HD       ARG  91   9.255   5.882  -9.668
  727    HE   ARG  91           HE       ARG  91   7.407   7.883  -9.418
  728   1HH1  ARG  91          2HH1      ARG  91  10.877   7.730  -9.659
  729   2HH1  ARG  91          1HH1      ARG  91  11.020   9.265 -10.448
  730   1HH2  ARG  91          1HH2      ARG  91   7.583   9.906 -10.457
  731   2HH2  ARG  91          2HH2      ARG  91   9.147  10.503 -10.901
  732    H    LEU  92           H        LEU  92   5.776   4.472  -4.449
  733    HA   LEU  92           HA       LEU  92   4.799   5.873  -2.321
  734   1HB   LEU  92          2HB       LEU  92   6.917   3.780  -1.928
  735   2HB   LEU  92          1HB       LEU  92   5.521   4.122  -0.923
  736    HG   LEU  92           HG       LEU  92   5.547   2.763  -3.613
  737   1HD1  LEU  92          1HD1      LEU  92   4.101   1.378  -1.611
  738   2HD1  LEU  92          2HD1      LEU  92   5.662   1.838  -0.931
  739   3HD1  LEU  92          3HD1      LEU  92   5.593   0.897  -2.421
  740   1HD2  LEU  92          1HD2      LEU  92   2.974   2.636  -2.579
  741   2HD2  LEU  92          2HD2      LEU  92   3.512   3.592  -3.960
  742   3HD2  LEU  92          3HD2      LEU  92   3.459   4.316  -2.353
  743    H    ALA  93           H        ALA  93   6.023   6.328  -0.207
  744    HA   ALA  93           HA       ALA  93   8.707   7.367  -0.566
  745   1HB   ALA  93          1HB       ALA  93   7.584   9.281  -1.338
  746   2HB   ALA  93          2HB       ALA  93   7.976   9.626   0.347
  747   3HB   ALA  93          3HB       ALA  93   6.337   9.152  -0.097
  748    H    ALA  94           H        ALA  94   6.320   8.445   1.791
  749    HA   ALA  94           HA       ALA  94   7.842   7.019   3.875
  750   1HB   ALA  94          1HB       ALA  94   6.315   9.147   4.992
  751   2HB   ALA  94          2HB       ALA  94   7.229   9.770   3.618
  752   3HB   ALA  94          3HB       ALA  94   8.067   8.953   4.938
  753    HA   PRO  95           HA       PRO  95   4.205   5.047   5.386
  754   1HB   PRO  95          2HB       PRO  95   4.147   5.543   8.049
  755   2HB   PRO  95          1HB       PRO  95   5.343   4.478   7.303
  756   1HG   PRO  95          2HG       PRO  95   5.616   7.336   8.147
  757   2HG   PRO  95          1HG       PRO  95   6.756   5.994   8.355
  758   1HD   PRO  95          2HD       PRO  95   7.016   7.853   6.397
  759   2HD   PRO  95          1HD       PRO  95   7.555   6.173   6.204
  760    H    CYS  96           H        CYS  96   2.028   5.303   5.850
  761    HA   CYS  96           HA       CYS  96   0.947   7.906   5.443
  762   1HB   CYS  96          2HB       CYS  96  -1.207   6.847   5.541
  763   2HB   CYS  96          1HB       CYS  96  -0.119   5.774   4.668
  764    HG   CYS  96           HG       CYS  96  -1.708   4.930   6.959
  765    H    ARG  97           H        ARG  97   0.973   9.420   6.965
  766    HA   ARG  97           HA       ARG  97   1.004   8.762   9.768
  767   1HB   ARG  97          2HB       ARG  97   0.985  11.372   8.257
  768   2HB   ARG  97          1HB       ARG  97   0.931  11.297  10.013
  769   1HG   ARG  97          2HG       ARG  97   3.063   9.978   9.926
  770   2HG   ARG  97          1HG       ARG  97   3.134  10.347   8.201
  771   1HD   ARG  97          2HD       ARG  97   4.158  12.249   8.725
  772   2HD   ARG  97          1HD       ARG  97   2.649  12.792   9.459
  773    HE   ARG  97           HE       ARG  97   3.844  11.304  11.404
  774   1HH1  ARG  97          2HH1      ARG  97   4.803  14.037   9.471
  775   2HH1  ARG  97          1HH1      ARG  97   5.847  14.695  10.685
  776   1HH2  ARG  97          1HH2      ARG  97   5.218  12.160  13.011
  777   2HH2  ARG  97          2HH2      ARG  97   6.084  13.627  12.698
  778    H    LYS  98           H        LYS  98  -0.523   9.658  11.318
  779    HA   LYS  98           HA       LYS  98  -3.213  10.102  10.221
  780   1HB   LYS  98          2HB       LYS  98  -2.516   7.725  11.333
  781   2HB   LYS  98          1HB       LYS  98  -3.080   8.592  12.755
  782   1HG   LYS  98          2HG       LYS  98  -5.206   9.052  11.595
  783   2HG   LYS  98          1HG       LYS  98  -4.636   8.095  10.226
  784   1HD   LYS  98          2HD       LYS  98  -5.509   6.310  11.234
  785   2HD   LYS  98          1HD       LYS  98  -4.238   6.465  12.449
  786   1HE   LYS  98          2HE       LYS  98  -5.738   6.985  14.001
  787   2HE   LYS  98          1HE       LYS  98  -6.320   8.333  13.025
  788   1HZ   LYS  98          1HZ       LYS  98  -7.776   6.792  11.849
  789   2HZ   LYS  98          2HZ       LYS  98  -8.099   6.787  13.509
  790   3HZ   LYS  98          3HZ       LYS  98  -7.231   5.513  12.814
  791    H    HIS  99           H        HIS  99  -4.371  10.116  12.895
  792    HA   HIS  99           HA       HIS  99  -3.074  12.454  14.106
  793   1HB   HIS  99          2HB       HIS  99  -5.239  12.774  12.505
  794   2HB   HIS  99          1HB       HIS  99  -6.030  12.512  14.056
  795    HD1  HIS  99           HD1      HIS  99  -6.223  14.501  15.537
  796    HD2  HIS  99           HD2      HIS  99  -3.331  15.013  12.597
  797    HE1  HIS  99           HE1      HIS  99  -5.452  16.884  15.761
  798    HE2  HIS  99           HE2      HIS  99  -3.766  17.196  13.915
  799    H    GLU 100           HN       GLU 100  -2.388  11.210  15.843
  800    HA   GLU 100           HA       GLU 100  -4.133  10.982  18.018
  801   1HB   GLU 100          2HB       GLU 100  -4.003   8.418  18.197
  802   2HB   GLU 100          1HB       GLU 100  -5.189   9.108  17.097
  803   1HG   GLU 100          2HG       GLU 100  -4.346   7.912  15.446
  804   2HG   GLU 100          1HG       GLU 100  -2.801   8.741  15.635
  Start of MODEL    2
    1   1H    SER   1          1H        SER   1   9.294   1.006   1.411
    2   2H    SER   1          2H        SER   1  10.694   1.559   0.587
    3   3H    SER   1          3H        SER   1   9.823   2.624   1.612
    4    HA   SER   1           HA       SER   1  11.037   0.144   2.595
    5   1HB   SER   1          2HB       SER   1  12.739   2.111   3.394
    6   2HB   SER   1          1HB       SER   1  13.006   1.091   1.981
    7    HG   SER   1           HG       SER   1  12.352   2.700   0.674
    8    H    GLU   2           H        GLU   2   8.551   1.796   3.090
    9    HA   GLU   2           HA       GLU   2   8.471   1.583   5.871
   10   1HB   GLU   2          2HB       GLU   2   8.272   4.077   6.382
   11   2HB   GLU   2          1HB       GLU   2   9.890   3.443   6.122
   12   1HG   GLU   2          2HG       GLU   2   9.456   4.202   3.653
   13   2HG   GLU   2          1HG       GLU   2   8.262   5.254   4.413
   14    HA   PRO   3           HA       PRO   3   4.376   2.252   3.809
   15   1HB   PRO   3          2HB       PRO   3   3.478  -0.254   3.854
   16   2HB   PRO   3          1HB       PRO   3   4.725   0.189   2.694
   17   1HG   PRO   3          2HG       PRO   3   4.995  -1.276   5.275
   18   2HG   PRO   3          1HG       PRO   3   5.789  -1.587   3.721
   19   1HD   PRO   3          2HD       PRO   3   6.913  -0.194   5.856
   20   2HD   PRO   3          1HD       PRO   3   7.470  -0.118   4.173
   21    H    TRP   4           H        TRP   4   5.103   0.164   6.616
   22    HA   TRP   4           HA       TRP   4   4.193   0.079   8.702
   23   1HB   TRP   4          2HB       TRP   4   3.259   2.648   7.762
   24   2HB   TRP   4          1HB       TRP   4   1.993   1.847   8.686
   25    HD1  TRP   4           HD1      TRP   4   4.069   4.416   9.464
   26    HE1  TRP   4           HE1      TRP   4   5.124   4.315  11.809
   27    HE3  TRP   4           HE3      TRP   4   3.396  -0.557  10.445
   28    HZ2  TRP   4           HZ2      TRP   4   5.608   2.384  13.810
   29    HZ3  TRP   4           HZ3      TRP   4   4.185  -1.452  12.597
   30    HH2  TRP   4           HH2      TRP   4   5.268  -0.010  14.243
   31    H    PHE   5           H        PHE   5   3.466  -1.975   8.281
   32    HA   PHE   5           HA       PHE   5   1.073  -2.513   6.828
   33   1HB   PHE   5          2HB       PHE   5   1.404  -4.830   7.538
   34   2HB   PHE   5          1HB       PHE   5   2.914  -4.133   6.961
   35    HD1  PHE   5           HD1      PHE   5   1.110  -5.443   9.838
   36    HD2  PHE   5           HD2      PHE   5   4.721  -3.621   8.512
   37    HE1  PHE   5           HE1      PHE   5   2.202  -6.079  11.950
   38    HE2  PHE   5           HE2      PHE   5   5.819  -4.255  10.621
   39    HZ   PHE   5           HZ       PHE   5   4.560  -5.486  12.344
   40    H    PHE   6           H        PHE   6  -0.951  -2.496   7.485
   41    HA   PHE   6           HA       PHE   6  -1.544  -2.829  10.343
   42   1HB   PHE   6          2HB       PHE   6  -1.758  -0.388   8.969
   43   2HB   PHE   6          1HB       PHE   6  -3.405  -0.997   9.098
   44    HD1  PHE   6           HD1      PHE   6  -3.486  -2.305  11.656
   45    HD2  PHE   6           HD2      PHE   6  -1.479   1.273  10.531
   46    HE1  PHE   6           HE1      PHE   6  -3.595  -1.517  13.985
   47    HE2  PHE   6           HE2      PHE   6  -1.583   2.068  12.857
   48    HZ   PHE   6           HZ       PHE   6  -2.642   0.673  14.588
   49    H    GLY   7           H        GLY   7  -2.409  -4.854  10.140
   50   1HA   GLY   7          2HA       GLY   7  -4.235  -5.479   7.998
   51   2HA   GLY   7          1HA       GLY   7  -3.737  -6.552   9.294
   52    H    CYS   8           H        CYS   8  -4.830  -3.492  10.356
   53    HA   CYS   8           HA       CYS   8  -7.433  -4.676  10.955
   54   1HB   CYS   8          2HB       CYS   8  -5.690  -2.941  12.693
   55   2HB   CYS   8          1HB       CYS   8  -7.389  -3.237  13.045
   56    HG   CYS   8           HG       CYS   8  -6.307  -5.902  12.892
   57    H    ILE   9           H        ILE   9  -5.897  -2.183   9.344
   58    HA   ILE   9           HA       ILE   9  -8.003  -0.223   9.734
   59    HB   ILE   9           HB       ILE   9  -6.793   1.158   8.100
   60   1HG1  ILE   9          2HG1      ILE   9  -4.987  -1.252   7.921
   61   2HG1  ILE   9          1HG1      ILE   9  -5.852  -0.452   6.614
   62   1HG2  ILE   9          1HG2      ILE   9  -5.409   1.923   9.673
   63   2HG2  ILE   9          2HG2      ILE   9  -4.554   0.388   9.813
   64   3HG2  ILE   9          3HG2      ILE   9  -6.075   0.631  10.671
   65   1HD1  ILE   9          1HD1      ILE   9  -3.498   0.071   6.534
   66   2HD1  ILE   9          2HD1      ILE   9  -3.560   0.692   8.183
   67   3HD1  ILE   9          3HD1      ILE   9  -4.444   1.512   6.901
   68    H    SER  10           H        SER  10  -9.683   0.133   8.424
   69    HA   SER  10           HA       SER  10 -10.011  -1.658   6.133
   70   1HB   SER  10          2HB       SER  10 -11.774  -1.459   7.974
   71   2HB   SER  10          1HB       SER  10 -12.125   0.141   7.320
   72    HG   SER  10           HG       SER  10 -12.361  -2.360   6.010
   73    H    ARG  11           H        ARG  11 -11.451  -0.555   4.337
   74    HA   ARG  11           HA       ARG  11  -9.851   1.348   3.070
   75   1HB   ARG  11          2HB       ARG  11 -11.650  -0.257   2.101
   76   2HB   ARG  11          1HB       ARG  11 -12.764   1.063   2.429
   77   1HG   ARG  11          2HG       ARG  11 -12.185   2.041   0.534
   78   2HG   ARG  11          1HG       ARG  11 -10.509   2.133   1.077
   79   1HD   ARG  11          2HD       ARG  11  -9.886   0.275  -0.084
   80   2HD   ARG  11          1HD       ARG  11 -11.473  -0.480   0.061
   81    HE   ARG  11           HE       ARG  11 -10.542   1.087  -2.103
   82   1HH1  ARG  11          2HH1      ARG  11 -13.406   0.453  -0.212
   83   2HH1  ARG  11          1HH1      ARG  11 -14.495   0.862  -1.495
   84   1HH2  ARG  11          1HH2      ARG  11 -11.973   1.629  -3.790
   85   2HH2  ARG  11          2HH2      ARG  11 -13.682   1.532  -3.525
   86    H    SER  12           H        SER  12 -12.249   1.727   5.449
   87    HA   SER  12           HA       SER  12 -13.096   4.360   4.864
   88   1HB   SER  12          2HB       SER  12 -14.485   3.138   6.328
   89   2HB   SER  12          1HB       SER  12 -13.135   2.688   7.370
   90    HG   SER  12           HG       SER  12 -14.023   5.357   7.015
   91    H    GLU  13           H        GLU  13 -10.704   3.147   7.224
   92    HA   GLU  13           HA       GLU  13  -9.860   5.762   7.973
   93   1HB   GLU  13          2HB       GLU  13  -8.138   3.339   8.343
   94   2HB   GLU  13          1HB       GLU  13  -8.317   4.742   9.387
   95   1HG   GLU  13          2HG       GLU  13 -10.850   3.600   9.311
   96   2HG   GLU  13          1HG       GLU  13  -9.742   2.233   9.407
   97    H    ALA  14           H        ALA  14  -8.241   3.207   6.081
   98    HA   ALA  14           HA       ALA  14  -5.949   4.551   5.409
   99   1HB   ALA  14          1HB       ALA  14  -7.531   2.560   3.802
  100   2HB   ALA  14          2HB       ALA  14  -6.162   2.248   4.869
  101   3HB   ALA  14          3HB       ALA  14  -5.918   3.120   3.356
  102    H    VAL  15           H        VAL  15  -9.167   5.071   4.221
  103    HA   VAL  15           HA       VAL  15  -8.365   6.550   1.898
  104    HB   VAL  15           HB       VAL  15 -10.766   5.491   2.771
  105   1HG1  VAL  15          1HG1      VAL  15 -11.252   7.438   4.145
  106   2HG1  VAL  15          2HG1      VAL  15 -12.372   7.323   2.788
  107   3HG1  VAL  15          3HG1      VAL  15 -11.050   8.488   2.742
  108   1HG2  VAL  15          1HG2      VAL  15 -10.880   7.473   0.585
  109   2HG2  VAL  15          2HG2      VAL  15 -11.396   5.787   0.621
  110   3HG2  VAL  15          3HG2      VAL  15  -9.687   6.182   0.439
  111    H    ARG  16           H        ARG  16  -9.538   7.454   5.132
  112    HA   ARG  16           HA       ARG  16  -9.034  10.261   4.609
  113   1HB   ARG  16          2HB       ARG  16  -9.998   8.828   7.086
  114   2HB   ARG  16          1HB       ARG  16  -9.831  10.574   6.952
  115   1HG   ARG  16          2HG       ARG  16 -11.425   9.370   4.818
  116   2HG   ARG  16          1HG       ARG  16 -12.100   9.157   6.434
  117   1HD   ARG  16          2HD       ARG  16 -12.407  11.407   6.752
  118   2HD   ARG  16          1HD       ARG  16 -11.098  11.849   5.655
  119    HE   ARG  16           HE       ARG  16 -12.634  11.969   3.980
  120   1HH1  ARG  16          2HH1      ARG  16 -13.936   9.936   6.502
  121   2HH1  ARG  16          1HH1      ARG  16 -15.473   9.748   5.728
  122   1HH2  ARG  16          1HH2      ARG  16 -14.657  11.722   2.962
  123   2HH2  ARG  16          2HH2      ARG  16 -15.882  10.762   3.719
  124    H    ARG  17           H        ARG  17  -7.274   7.623   5.709
  125    HA   ARG  17           HA       ARG  17  -5.509   9.102   7.456
  126   1HB   ARG  17          2HB       ARG  17  -6.209   6.554   7.546
  127   2HB   ARG  17          1HB       ARG  17  -4.861   6.364   6.433
  128   1HG   ARG  17          2HG       ARG  17  -3.321   7.224   8.033
  129   2HG   ARG  17          1HG       ARG  17  -4.629   7.725   9.104
  130   1HD   ARG  17          2HD       ARG  17  -4.962   4.961   8.576
  131   2HD   ARG  17          1HD       ARG  17  -3.270   5.224   8.992
  132    HE   ARG  17           HE       ARG  17  -4.924   6.586  10.824
  133   1HH1  ARG  17          2HH1      ARG  17  -3.927   3.356   9.958
  134   2HH1  ARG  17          1HH1      ARG  17  -4.166   2.721  11.551
  135   1HH2  ARG  17          1HH2      ARG  17  -5.240   5.753  12.919
  136   2HH2  ARG  17          2HH2      ARG  17  -4.912   4.082  13.232
  137    H    LEU  18           H        LEU  18  -5.379   7.585   4.256
  138    HA   LEU  18           HA       LEU  18  -2.717   8.343   3.653
  139   1HB   LEU  18          2HB       LEU  18  -5.036   7.337   2.127
  140   2HB   LEU  18          1HB       LEU  18  -3.742   8.106   1.228
  141    HG   LEU  18           HG       LEU  18  -3.464   5.691   1.294
  142   1HD1  LEU  18          1HD1      LEU  18  -1.300   6.573   3.095
  143   2HD1  LEU  18          2HD1      LEU  18  -1.548   7.529   1.636
  144   3HD1  LEU  18          3HD1      LEU  18  -1.221   5.801   1.515
  145   1HD2  LEU  18          1HD2      LEU  18  -2.640   5.377   4.015
  146   2HD2  LEU  18          2HD2      LEU  18  -3.863   4.483   3.115
  147   3HD2  LEU  18          3HD2      LEU  18  -4.299   5.964   3.964
  148    H    GLN  19           H        GLN  19  -5.837   9.742   3.124
  149    HA   GLN  19           HA       GLN  19  -4.932  11.989   1.604
  150   1HB   GLN  19          2HB       GLN  19  -7.523  11.146   2.824
  151   2HB   GLN  19          1HB       GLN  19  -7.330  12.822   2.331
  152   1HG   GLN  19          2HG       GLN  19  -6.437  11.015   0.267
  153   2HG   GLN  19          1HG       GLN  19  -8.099  10.678   0.745
  154   1HE2  GLN  19          1HE2      GLN  19  -9.493  11.658  -0.518
  155   2HE2  GLN  19          2HE2      GLN  19  -9.324  13.234  -1.202
  156    H    ALA  20           H        ALA  20  -5.178  11.303   4.985
  157    HA   ALA  20           HA       ALA  20  -5.593  13.744   6.165
  158   1HB   ALA  20          1HB       ALA  20  -4.434  12.934   8.072
  159   2HB   ALA  20          2HB       ALA  20  -3.472  11.823   7.097
  160   3HB   ALA  20          3HB       ALA  20  -5.199  11.538   7.311
  161    H    GLU  21           H        GLU  21  -3.764  15.035   7.374
  162    HA   GLU  21           HA       GLU  21  -1.977  15.949   5.284
  163   1HB   GLU  21          2HB       GLU  21  -2.281  17.239   7.980
  164   2HB   GLU  21          1HB       GLU  21  -1.724  17.976   6.485
  165   1HG   GLU  21          2HG       GLU  21  -4.241  17.153   5.817
  166   2HG   GLU  21          1HG       GLU  21  -4.430  17.614   7.508
  167    H    GLY  22           H        GLY  22  -1.673  13.563   7.049
  168   1HA   GLY  22          2HA       GLY  22   0.963  14.093   8.215
  169   2HA   GLY  22          1HA       GLY  22  -0.008  12.651   8.489
  170    H    ASN  23           H        ASN  23  -0.429  13.014   5.373
  171    HA   ASN  23           HA       ASN  23   1.928  11.414   4.635
  172   1HB   ASN  23          2HB       ASN  23  -0.927  11.354   3.672
  173   2HB   ASN  23          1HB       ASN  23   0.378  10.515   2.843
  174   1HD2  ASN  23          1HD2      ASN  23  -0.882   8.595   3.301
  175   2HD2  ASN  23          2HD2      ASN  23  -0.741   7.833   4.844
  176    H    ALA  24           H        ALA  24   3.330  12.466   3.424
  177    HA   ALA  24           HA       ALA  24   2.391  14.662   1.746
  178   1HB   ALA  24          1HB       ALA  24   4.431  15.629   1.965
  179   2HB   ALA  24          2HB       ALA  24   5.284  14.086   1.953
  180   3HB   ALA  24          3HB       ALA  24   4.473  14.634   3.420
  181    H    THR  25           H        THR  25   1.418  12.847   0.457
  182    HA   THR  25           HA       THR  25   1.298  11.612  -1.416
  183    HB   THR  25           HB       THR  25   2.766  12.287  -3.308
  184    HG1  THR  25           HG1      THR  25   4.564  12.782  -1.746
  185   1HG2  THR  25          1HG2      THR  25   1.946  14.801  -1.918
  186   2HG2  THR  25          2HG2      THR  25   0.738  13.652  -2.495
  187   3HG2  THR  25          3HG2      THR  25   1.868  14.389  -3.632
  188    H    GLY  26           H        GLY  26   1.933   9.684  -2.269
  189   1HA   GLY  26          2HA       GLY  26   3.301   7.826  -2.626
  190   2HA   GLY  26          1HA       GLY  26   4.608   8.656  -1.790
  191    H    ALA  27           H        ALA  27   2.690   9.267   0.468
  192    HA   ALA  27           HA       ALA  27   3.390   7.398   2.304
  193   1HB   ALA  27          1HB       ALA  27   2.140   9.522   2.727
  194   2HB   ALA  27          2HB       ALA  27   1.547   8.136   3.642
  195   3HB   ALA  27          3HB       ALA  27   0.673   8.690   2.214
  196    H    PHE  28           H        PHE  28   3.084   5.247   2.444
  197    HA   PHE  28           HA       PHE  28   0.644   4.118   1.239
  198   1HB   PHE  28          2HB       PHE  28   2.162   2.169   0.643
  199   2HB   PHE  28          1HB       PHE  28   2.399   3.654  -0.271
  200    HD1  PHE  28           HD1      PHE  28   4.242   5.270   0.703
  201    HD2  PHE  28           HD2      PHE  28   3.990   1.120   1.514
  202    HE1  PHE  28           HE1      PHE  28   6.621   5.250   1.291
  203    HE2  PHE  28           HE2      PHE  28   6.379   1.088   2.120
  204    HZ   PHE  28           HZ       PHE  28   7.698   3.161   2.005
  205    H    LEU  29           H        LEU  29   0.123   1.996   2.078
  206    HA   LEU  29           HA       LEU  29   1.213   1.171   4.613
  207   1HB   LEU  29          2HB       LEU  29  -1.097   1.227   5.673
  208   2HB   LEU  29          1HB       LEU  29  -0.214   2.733   5.572
  209    HG   LEU  29           HG       LEU  29  -1.915   3.715   4.507
  210   1HD1  LEU  29          1HD1      LEU  29  -1.602   1.491   2.567
  211   2HD1  LEU  29          2HD1      LEU  29  -1.397   3.218   2.341
  212   3HD1  LEU  29          3HD1      LEU  29  -3.010   2.528   2.475
  213   1HD2  LEU  29          1HD2      LEU  29  -3.184   1.042   4.962
  214   2HD2  LEU  29          2HD2      LEU  29  -4.070   2.428   4.329
  215   3HD2  LEU  29          3HD2      LEU  29  -3.335   2.507   5.930
  216    H    ILE  30           H        ILE  30   0.795  -0.987   5.050
  217    HA   ILE  30           HA       ILE  30  -0.792  -2.323   2.955
  218    HB   ILE  30           HB       ILE  30   1.014  -3.945   4.642
  219   1HG1  ILE  30          2HG1      ILE  30   2.283  -1.809   3.942
  220   2HG1  ILE  30          1HG1      ILE  30   3.019  -3.359   3.568
  221   1HG2  ILE  30          1HG2      ILE  30   1.067  -4.284   1.767
  222   2HG2  ILE  30          2HG2      ILE  30  -0.563  -4.341   2.424
  223   3HG2  ILE  30          3HG2      ILE  30   0.674  -5.437   3.034
  224   1HD1  ILE  30          1HD1      ILE  30   3.134  -2.812   1.437
  225   2HD1  ILE  30          2HD1      ILE  30   2.465  -1.231   1.830
  226   3HD1  ILE  30          3HD1      ILE  30   1.391  -2.553   1.371
  227    H    ARG  31           H        ARG  31  -2.733  -2.917   3.584
  228    HA   ARG  31           HA       ARG  31  -3.084  -3.827   6.360
  229   1HB   ARG  31          2HB       ARG  31  -5.404  -3.103   6.213
  230   2HB   ARG  31          1HB       ARG  31  -4.332  -1.764   5.823
  231   1HG   ARG  31          2HG       ARG  31  -4.717  -2.555   3.372
  232   2HG   ARG  31          1HG       ARG  31  -6.157  -3.308   4.057
  233   1HD   ARG  31          2HD       ARG  31  -6.794  -1.104   5.008
  234   2HD   ARG  31          1HD       ARG  31  -5.408  -0.388   4.191
  235    HE   ARG  31           HE       ARG  31  -6.519  -0.572   2.168
  236   1HH1  ARG  31          2HH1      ARG  31  -8.348  -2.150   4.693
  237   2HH1  ARG  31          1HH1      ARG  31  -9.791  -2.263   3.744
  238   1HH2  ARG  31          1HH2      ARG  31  -8.417  -0.726   0.924
  239   2HH2  ARG  31          2HH2      ARG  31  -9.831  -1.458   1.606
  240    H    VAL  32           H        VAL  32  -5.306  -5.192   6.399
  241    HA   VAL  32           HA       VAL  32  -4.710  -7.471   4.716
  242    HB   VAL  32           HB       VAL  32  -6.467  -8.633   6.018
  243   1HG1  VAL  32          1HG1      VAL  32  -4.502  -9.037   7.070
  244   2HG1  VAL  32          2HG1      VAL  32  -5.264  -8.085   8.344
  245   3HG1  VAL  32          3HG1      VAL  32  -4.115  -7.326   7.244
  246   1HG2  VAL  32          1HG2      VAL  32  -6.689  -6.049   7.560
  247   2HG2  VAL  32          2HG2      VAL  32  -7.553  -7.553   7.882
  248   3HG2  VAL  32          3HG2      VAL  32  -7.886  -6.642   6.409
  249    H    SER  33           H        SER  33  -5.855  -8.213   3.070
  250    HA   SER  33           HA       SER  33  -7.455  -6.580   1.535
  251   1HB   SER  33          2HB       SER  33  -8.257  -9.118   0.808
  252   2HB   SER  33          1HB       SER  33  -6.841  -8.269   0.187
  253    HG   SER  33           HG       SER  33  -6.475 -10.428   1.083
  254    H    GLU  34           H        GLU  34  -9.235  -5.630   2.369
  255    HA   GLU  34           HA       GLU  34 -11.077  -6.938   4.082
  256   1HB   GLU  34          2HB       GLU  34 -11.194  -4.381   2.501
  257   2HB   GLU  34          1HB       GLU  34 -12.567  -4.945   3.443
  258   1HG   GLU  34          2HG       GLU  34  -9.825  -4.351   4.532
  259   2HG   GLU  34          1HG       GLU  34 -11.232  -3.295   4.650
  260    H    LYS  35           H        LYS  35 -10.654  -6.807   0.710
  261    HA   LYS  35           HA       LYS  35 -13.270  -8.070   0.261
  262   1HB   LYS  35          2HB       LYS  35 -11.795  -7.260  -2.144
  263   2HB   LYS  35          1HB       LYS  35 -13.479  -7.011  -1.718
  264   1HG   LYS  35          2HG       LYS  35 -13.102  -4.956  -0.843
  265   2HG   LYS  35          1HG       LYS  35 -11.482  -5.364  -0.278
  266   1HD   LYS  35          2HD       LYS  35 -10.573  -5.136  -2.466
  267   2HD   LYS  35          1HD       LYS  35 -12.180  -5.019  -3.187
  268   1HE   LYS  35          2HE       LYS  35 -11.222  -2.821  -3.094
  269   2HE   LYS  35          1HE       LYS  35 -12.533  -2.914  -1.919
  270   1HZ   LYS  35          1HZ       LYS  35 -11.012  -3.052  -0.151
  271   2HZ   LYS  35          2HZ       LYS  35 -10.418  -1.821  -1.147
  272   3HZ   LYS  35          3HZ       LYS  35  -9.700  -3.351  -1.176
  273    HA   PRO  36           HA       PRO  36 -10.028 -10.743  -2.274
  274   1HB   PRO  36          2HB       PRO  36  -7.548  -9.982  -0.831
  275   2HB   PRO  36          1HB       PRO  36  -7.797 -10.288  -2.549
  276   1HG   PRO  36          2HG       PRO  36  -7.456  -7.807  -1.635
  277   2HG   PRO  36          1HG       PRO  36  -8.586  -8.154  -2.957
  278   1HD   PRO  36          2HD       PRO  36  -9.144  -7.606  -0.074
  279   2HD   PRO  36          1HD       PRO  36 -10.037  -7.087  -1.515
  280    H    SER  37           H        SER  37  -8.057 -12.323  -1.172
  281    HA   SER  37           HA       SER  37  -8.922 -13.015   1.531
  282   1HB   SER  37          2HB       SER  37  -9.510 -14.585  -0.897
  283   2HB   SER  37          1HB       SER  37  -8.835 -15.511   0.443
  284    HG   SER  37           HG       SER  37 -10.773 -15.460   1.231
  285    H    ALA  38           H        ALA  38  -7.303 -13.737   2.784
  286    HA   ALA  38           HA       ALA  38  -5.165 -14.169   3.456
  287   1HB   ALA  38          1HB       ALA  38  -5.658 -16.034   1.198
  288   2HB   ALA  38          2HB       ALA  38  -5.348 -16.373   2.900
  289   3HB   ALA  38          3HB       ALA  38  -4.018 -15.917   1.834
  290    H    ASP  39           H        ASP  39  -5.424 -11.808   1.986
  291    HA   ASP  39           HA       ASP  39  -2.746 -11.629   0.798
  292   1HB   ASP  39          2HB       ASP  39  -5.141 -10.215  -0.383
  293   2HB   ASP  39          1HB       ASP  39  -3.525 -10.349  -1.066
  294    H    TYR  40           H        TYR  40  -2.783  -8.949   0.133
  295    HA   TYR  40           HA       TYR  40  -3.642  -7.469   2.493
  296   1HB   TYR  40          2HB       TYR  40  -0.824  -8.131   1.911
  297   2HB   TYR  40          1HB       TYR  40  -1.110  -6.402   2.088
  298    HD1  TYR  40           HD1      TYR  40  -1.946  -9.615   3.799
  299    HD2  TYR  40           HD2      TYR  40  -1.017  -5.486   4.219
  300    HE1  TYR  40           HE1      TYR  40  -1.916  -9.877   6.243
  301    HE2  TYR  40           HE2      TYR  40  -0.979  -5.736   6.663
  302    HH   TYR  40           HH       TYR  40  -0.958  -8.770   8.203
  303    H    VAL  41           H        VAL  41  -4.230  -5.464   2.034
  304    HA   VAL  41           HA       VAL  41  -3.917  -4.672  -0.778
  305    HB   VAL  41           HB       VAL  41  -5.824  -3.064  -0.233
  306   1HG1  VAL  41          1HG1      VAL  41  -6.538  -4.717  -1.615
  307   2HG1  VAL  41          2HG1      VAL  41  -7.430  -5.213  -0.176
  308   3HG1  VAL  41          3HG1      VAL  41  -5.906  -6.002  -0.585
  309   1HG2  VAL  41          1HG2      VAL  41  -6.685  -3.021   1.820
  310   2HG2  VAL  41          2HG2      VAL  41  -5.399  -4.104   2.343
  311   3HG2  VAL  41          3HG2      VAL  41  -6.940  -4.763   1.800
  312    H    LEU  42           H        LEU  42  -2.728  -2.989  -1.276
  313    HA   LEU  42           HA       LEU  42  -1.719  -1.337   0.916
  314   1HB   LEU  42          2HB       LEU  42   0.008  -2.468  -0.312
  315   2HB   LEU  42          1HB       LEU  42  -0.630  -1.884  -1.836
  316    HG   LEU  42           HG       LEU  42  -0.033   0.419  -1.210
  317   1HD1  LEU  42          1HD1      LEU  42   0.434  -0.886   1.367
  318   2HD1  LEU  42          2HD1      LEU  42  -0.015   0.772   0.986
  319   3HD1  LEU  42          3HD1      LEU  42   1.671   0.272   0.880
  320   1HD2  LEU  42          1HD2      LEU  42   1.568  -1.294  -2.293
  321   2HD2  LEU  42          2HD2      LEU  42   2.380  -1.291  -0.726
  322   3HD2  LEU  42          3HD2      LEU  42   2.236   0.203  -1.649
  323    H    SER  43           H        SER  43  -2.018   0.803   0.934
  324    HA   SER  43           HA       SER  43  -3.255   1.986  -1.430
  325   1HB   SER  43          2HB       SER  43  -5.060   2.643  -0.364
  326   2HB   SER  43          1HB       SER  43  -4.548   1.646   0.996
  327    HG   SER  43           HG       SER  43  -4.970   3.958   1.418
  328    H    VAL  44           H        VAL  44  -3.005   4.258  -1.644
  329    HA   VAL  44           HA       VAL  44  -0.768   5.389  -0.150
  330    HB   VAL  44           HB       VAL  44   0.187   4.077  -2.055
  331   1HG1  VAL  44          1HG1      VAL  44  -0.018   4.927  -4.303
  332   2HG1  VAL  44          2HG1      VAL  44  -1.069   6.229  -3.747
  333   3HG1  VAL  44          3HG1      VAL  44  -1.618   4.556  -3.663
  334   1HG2  VAL  44          1HG2      VAL  44   1.269   6.465  -2.947
  335   2HG2  VAL  44          2HG2      VAL  44   1.839   5.488  -1.595
  336   3HG2  VAL  44          3HG2      VAL  44   0.723   6.823  -1.308
  337    H    ARG  45           H        ARG  45  -0.796   7.577  -0.025
  338    HA   ARG  45           HA       ARG  45  -3.139   8.967  -0.803
  339   1HB   ARG  45          2HB       ARG  45  -1.677   9.607   1.134
  340   2HB   ARG  45          1HB       ARG  45  -0.468  10.152  -0.018
  341   1HG   ARG  45          2HG       ARG  45  -2.217  11.720  -0.933
  342   2HG   ARG  45          1HG       ARG  45  -3.201  11.298   0.471
  343   1HD   ARG  45          2HD       ARG  45  -0.972  11.894   1.759
  344   2HD   ARG  45          1HD       ARG  45  -0.672  12.858   0.314
  345    HE   ARG  45           HE       ARG  45  -2.690  13.321   2.343
  346   1HH1  ARG  45          2HH1      ARG  45  -1.538  14.096  -0.862
  347   2HH1  ARG  45          1HH1      ARG  45  -2.384  15.605  -0.932
  348   1HH2  ARG  45          1HH2      ARG  45  -3.800  15.305   2.246
  349   2HH2  ARG  45          2HH2      ARG  45  -3.665  16.291   0.829
  350    H    ASP  46           H        ASP  46  -0.381   7.999  -2.429
  351    HA   ASP  46           HA       ASP  46   0.523   8.478  -4.464
  352   1HB   ASP  46          2HB       ASP  46  -2.296   8.435  -4.741
  353   2HB   ASP  46          1HB       ASP  46  -1.688   9.700  -5.797
  354    H    THR  47           H        THR  47  -1.643  11.105  -5.021
  355    HA   THR  47           HA       THR  47   0.504  13.019  -4.455
  356    HB   THR  47           HB       THR  47   0.321  12.647  -6.879
  357    HG1  THR  47           HG1      THR  47   0.825  14.751  -6.048
  358   1HG2  THR  47          1HG2      THR  47  -2.293  12.300  -6.625
  359   2HG2  THR  47          2HG2      THR  47  -1.555  12.866  -8.122
  360   3HG2  THR  47          3HG2      THR  47  -2.293  14.020  -7.013
  361    H    GLN  48           H        GLN  48  -2.771  12.183  -4.165
  362    HA   GLN  48           HA       GLN  48  -3.298  14.333  -2.369
  363   1HB   GLN  48          2HB       GLN  48  -4.673  14.252  -5.040
  364   2HB   GLN  48          1HB       GLN  48  -5.357  15.085  -3.650
  365   1HG   GLN  48          2HG       GLN  48  -3.167  16.374  -3.546
  366   2HG   GLN  48          1HG       GLN  48  -2.842  15.721  -5.151
  367   1HE2  GLN  48          1HE2      GLN  48  -3.211  17.210  -6.620
  368   2HE2  GLN  48          2HE2      GLN  48  -4.549  18.303  -6.653
  369    H    ALA  49           H        ALA  49  -5.387  12.472  -4.453
  370    HA   ALA  49           HA       ALA  49  -7.108  11.616  -2.374
  371   1HB   ALA  49          1HB       ALA  49  -7.731   9.880  -4.283
  372   2HB   ALA  49          2HB       ALA  49  -6.798  11.006  -5.266
  373   3HB   ALA  49          3HB       ALA  49  -8.210  11.574  -4.375
  374    H    VAL  50           H        VAL  50  -7.572   8.978  -2.588
  375    HA   VAL  50           HA       VAL  50  -5.025   7.767  -1.743
  376    HB   VAL  50           HB       VAL  50  -7.826   7.027  -0.882
  377   1HG1  VAL  50          1HG1      VAL  50  -5.170   5.705  -0.495
  378   2HG1  VAL  50          2HG1      VAL  50  -6.742   4.985  -0.837
  379   3HG1  VAL  50          3HG1      VAL  50  -6.388   5.598   0.777
  380   1HG2  VAL  50          1HG2      VAL  50  -7.246   8.962   0.291
  381   2HG2  VAL  50          2HG2      VAL  50  -5.560   8.473   0.448
  382   3HG2  VAL  50          3HG2      VAL  50  -6.808   7.652   1.386
  383    H    ARG  51           H        ARG  51  -4.280   6.102  -2.822
  384    HA   ARG  51           HA       ARG  51  -6.033   4.832  -4.815
  385   1HB   ARG  51          2HB       ARG  51  -3.073   5.406  -4.825
  386   2HB   ARG  51          1HB       ARG  51  -3.811   4.264  -5.938
  387   1HG   ARG  51          2HG       ARG  51  -3.533   6.383  -7.023
  388   2HG   ARG  51          1HG       ARG  51  -5.251   6.065  -6.793
  389   1HD   ARG  51          2HD       ARG  51  -4.246   7.485  -4.527
  390   2HD   ARG  51          1HD       ARG  51  -3.762   8.324  -5.997
  391    HE   ARG  51           HE       ARG  51  -6.427   8.068  -4.953
  392   1HH1  ARG  51          2HH1      ARG  51  -4.509   8.633  -7.813
  393   2HH1  ARG  51          1HH1      ARG  51  -5.782   9.448  -8.656
  394   1HH2  ARG  51          1HH2      ARG  51  -8.105   9.136  -6.065
  395   2HH2  ARG  51          2HH2      ARG  51  -7.822   9.733  -7.665
  396    H    HIS  52           H        HIS  52  -6.735   2.968  -3.912
  397    HA   HIS  52           HA       HIS  52  -4.995   1.469  -2.152
  398   1HB   HIS  52          2HB       HIS  52  -7.829   0.980  -3.113
  399   2HB   HIS  52          1HB       HIS  52  -6.967  -0.118  -2.036
  400    HD1  HIS  52           HD1      HIS  52  -6.218   0.923   0.287
  401    HD2  HIS  52           HD2      HIS  52  -9.015   3.114  -1.859
  402    HE1  HIS  52           HE1      HIS  52  -7.105   2.618   1.889
  403    HE2  HIS  52           HE2      HIS  52  -8.910   3.844   0.622
  404    H    TYR  53           H        TYR  53  -4.685  -0.887  -2.484
  405    HA   TYR  53           HA       TYR  53  -4.790  -1.855  -5.214
  406   1HB   TYR  53          2HB       TYR  53  -2.098  -1.798  -3.886
  407   2HB   TYR  53          1HB       TYR  53  -2.480  -2.062  -5.581
  408    HD1  TYR  53           HD1      TYR  53  -3.413  -0.052  -6.886
  409    HD2  TYR  53           HD2      TYR  53  -1.454   0.326  -3.129
  410    HE1  TYR  53           HE1      TYR  53  -2.922   2.302  -7.390
  411    HE2  TYR  53           HE2      TYR  53  -0.967   2.684  -3.617
  412    HH   TYR  53           HH       TYR  53  -1.992   4.194  -6.667
  413    H    LYS  54           H        LYS  54  -4.967  -4.034  -5.272
  414    HA   LYS  54           HA       LYS  54  -4.953  -5.493  -2.770
  415   1HB   LYS  54          2HB       LYS  54  -6.776  -5.914  -4.332
  416   2HB   LYS  54          1HB       LYS  54  -5.630  -6.345  -5.594
  417   1HG   LYS  54          2HG       LYS  54  -4.907  -8.273  -4.252
  418   2HG   LYS  54          1HG       LYS  54  -6.117  -7.858  -3.039
  419   1HD   LYS  54          2HD       LYS  54  -7.297  -9.397  -4.250
  420   2HD   LYS  54          1HD       LYS  54  -7.727  -7.932  -5.135
  421   1HE   LYS  54          2HE       LYS  54  -5.269  -9.313  -6.009
  422   2HE   LYS  54          1HE       LYS  54  -6.785 -10.164  -6.307
  423   1HZ   LYS  54          1HZ       LYS  54  -6.104  -7.417  -7.210
  424   2HZ   LYS  54          2HZ       LYS  54  -7.604  -8.165  -7.440
  425   3HZ   LYS  54          3HZ       LYS  54  -6.222  -8.794  -8.187
  426    H    ILE  55           H        ILE  55  -3.113  -6.346  -2.032
  427    HA   ILE  55           HA       ILE  55  -0.974  -7.023  -3.922
  428    HB   ILE  55           HB       ILE  55  -0.629  -7.249  -0.974
  429   1HG1  ILE  55          2HG1      ILE  55  -0.140  -4.574  -2.208
  430   2HG1  ILE  55          1HG1      ILE  55  -1.779  -4.974  -1.706
  431   1HG2  ILE  55          1HG2      ILE  55   1.502  -7.429  -1.518
  432   2HG2  ILE  55          2HG2      ILE  55   1.462  -5.883  -2.362
  433   3HG2  ILE  55          3HG2      ILE  55   1.039  -7.366  -3.219
  434   1HD1  ILE  55          1HD1      ILE  55   0.534  -4.264  -0.122
  435   2HD1  ILE  55          2HD1      ILE  55  -0.266  -5.723   0.455
  436   3HD1  ILE  55          3HD1      ILE  55  -1.178  -4.224   0.290
  437    H    TRP  56           H        TRP  56  -1.511  -8.972  -4.747
  438    HA   TRP  56           HA       TRP  56  -2.547 -11.075  -3.064
  439   1HB   TRP  56          2HB       TRP  56  -3.361 -10.656  -5.380
  440   2HB   TRP  56          1HB       TRP  56  -1.792 -11.148  -5.992
  441    HD1  TRP  56           HD1      TRP  56  -3.463 -13.079  -3.156
  442    HE1  TRP  56           HE1      TRP  56  -4.089 -15.426  -4.005
  443    HE3  TRP  56           HE3      TRP  56  -2.368 -12.460  -8.104
  444    HZ2  TRP  56           HZ2      TRP  56  -4.115 -16.829  -6.456
  445    HZ3  TRP  56           HZ3      TRP  56  -2.722 -14.351  -9.637
  446    HH2  TRP  56           HH2      TRP  56  -3.577 -16.490  -8.829
  447    H    ARG  57           H        ARG  57  -1.578 -13.092  -2.707
  448    HA   ARG  57           HA       ARG  57   1.331 -12.992  -2.608
  449   1HB   ARG  57          2HB       ARG  57  -0.623 -13.948  -0.863
  450   2HB   ARG  57          1HB       ARG  57   0.113 -15.401  -1.526
  451   1HG   ARG  57          2HG       ARG  57   2.185 -14.922  -0.629
  452   2HG   ARG  57          1HG       ARG  57   1.839 -13.198  -0.487
  453   1HD   ARG  57          2HD       ARG  57   0.003 -14.815   1.073
  454   2HD   ARG  57          1HD       ARG  57   1.682 -15.093   1.532
  455    HE   ARG  57           HE       ARG  57   0.988 -12.313   1.310
  456   1HH1  ARG  57          2HH1      ARG  57   1.029 -15.093   3.419
  457   2HH1  ARG  57          1HH1      ARG  57   1.040 -14.148   4.871
  458   1HH2  ARG  57          1HH2      ARG  57   1.001 -11.068   3.217
  459   2HH2  ARG  57          2HH2      ARG  57   1.023 -11.863   4.756
  460    H    ARG  58           H        ARG  58   2.514 -15.062  -3.094
  461    HA   ARG  58           HA       ARG  58   1.493 -16.153  -5.620
  462   1HB   ARG  58          2HB       ARG  58   4.178 -15.546  -4.549
  463   2HB   ARG  58          1HB       ARG  58   4.060 -16.984  -5.548
  464   1HG   ARG  58          2HG       ARG  58   2.686 -15.166  -7.038
  465   2HG   ARG  58          1HG       ARG  58   3.925 -14.158  -6.289
  466   1HD   ARG  58          2HD       ARG  58   5.663 -15.345  -7.271
  467   2HD   ARG  58          1HD       ARG  58   4.659 -16.766  -7.560
  468    HE   ARG  58           HE       ARG  58   3.830 -14.434  -9.027
  469   1HH1  ARG  58          2HH1      ARG  58   5.922 -17.229  -9.028
  470   2HH1  ARG  58          1HH1      ARG  58   6.056 -17.281 -10.754
  471   1HH2  ARG  58          1HH2      ARG  58   4.008 -14.503 -11.295
  472   2HH2  ARG  58          2HH2      ARG  58   4.971 -15.734 -12.041
  473    H    ALA  59           H        ALA  59   0.715 -17.079  -2.904
  474    HA   ALA  59           HA       ALA  59   0.390 -19.014  -1.747
  475   1HB   ALA  59          1HB       ALA  59   0.559 -21.101  -3.391
  476   2HB   ALA  59          2HB       ALA  59   0.515 -19.815  -4.597
  477   3HB   ALA  59          3HB       ALA  59  -0.796 -19.973  -3.430
  478    H    GLY  60           H        GLY  60   3.185 -17.981  -2.037
  479   1HA   GLY  60          2HA       GLY  60   4.500 -20.088  -0.674
  480   2HA   GLY  60          1HA       GLY  60   5.054 -20.020  -2.339
  481    H    GLY  61           H        GLY  61   4.090 -17.211  -0.458
  482   1HA   GLY  61          2HA       GLY  61   5.358 -15.532   0.510
  483   2HA   GLY  61          1HA       GLY  61   6.795 -16.506   0.238
  484    H    ARG  62           H        ARG  62   4.532 -14.258  -1.257
  485    HA   ARG  62           HA       ARG  62   6.420 -12.740  -2.559
  486   1HB   ARG  62          2HB       ARG  62   6.165 -15.209  -3.876
  487   2HB   ARG  62          1HB       ARG  62   5.293 -14.050  -4.872
  488   1HG   ARG  62          2HG       ARG  62   7.191 -12.754  -5.246
  489   2HG   ARG  62          1HG       ARG  62   8.062 -13.475  -3.894
  490   1HD   ARG  62          2HD       ARG  62   7.388 -15.589  -5.621
  491   2HD   ARG  62          1HD       ARG  62   7.984 -14.283  -6.644
  492    HE   ARG  62           HE       ARG  62   9.627 -14.850  -4.342
  493   1HH1  ARG  62          2HH1      ARG  62   8.998 -15.598  -7.694
  494   2HH1  ARG  62          1HH1      ARG  62  10.596 -16.191  -7.991
  495   1HH2  ARG  62          1HH2      ARG  62  11.729 -15.631  -4.732
  496   2HH2  ARG  62          2HH2      ARG  62  12.148 -16.211  -6.310
  497    H    LEU  63           H        LEU  63   5.301 -10.951  -2.449
  498    HA   LEU  63           HA       LEU  63   2.448 -10.915  -2.972
  499   1HB   LEU  63          2HB       LEU  63   4.410  -8.973  -1.811
  500   2HB   LEU  63          1HB       LEU  63   2.858  -8.402  -2.393
  501    HG   LEU  63           HG       LEU  63   2.718  -8.780  -0.019
  502   1HD1  LEU  63          1HD1      LEU  63   1.295 -11.180  -1.003
  503   2HD1  LEU  63          2HD1      LEU  63   0.923  -9.648  -1.793
  504   3HD1  LEU  63          3HD1      LEU  63   0.702  -9.819  -0.051
  505   1HD2  LEU  63          1HD2      LEU  63   4.568 -10.715  -0.378
  506   2HD2  LEU  63          2HD2      LEU  63   3.113 -11.693  -0.190
  507   3HD2  LEU  63          3HD2      LEU  63   3.580 -10.555   1.074
  508    H    HIS  64           H        HIS  64   1.469  -9.710  -4.575
  509    HA   HIS  64           HA       HIS  64   3.060  -8.174  -6.399
  510   1HB   HIS  64          2HB       HIS  64   2.325  -9.505  -8.403
  511   2HB   HIS  64          1HB       HIS  64   3.525 -10.282  -7.385
  512    HD1  HIS  64           HD1      HIS  64   2.626 -12.464  -8.675
  513    HD2  HIS  64           HD2      HIS  64   0.021 -10.733  -5.943
  514    HE1  HIS  64           HE1      HIS  64   0.900 -14.224  -8.184
  515    HE2  HIS  64           HE2      HIS  64  -0.591 -13.194  -6.437
  516    H    LEU  65           H        LEU  65   1.817  -6.418  -6.195
  517    HA   LEU  65           HA       LEU  65  -0.995  -6.467  -5.991
  518   1HB   LEU  65          2HB       LEU  65   0.853  -4.223  -6.807
  519   2HB   LEU  65          1HB       LEU  65  -0.851  -4.025  -6.444
  520    HG   LEU  65           HG       LEU  65  -0.208  -5.088  -4.145
  521   1HD1  LEU  65          1HD1      LEU  65   2.408  -4.425  -5.374
  522   2HD1  LEU  65          2HD1      LEU  65   1.976  -5.716  -4.254
  523   3HD1  LEU  65          3HD1      LEU  65   2.183  -4.068  -3.663
  524   1HD2  LEU  65          1HD2      LEU  65  -0.481  -2.464  -5.110
  525   2HD2  LEU  65          2HD2      LEU  65   0.907  -2.450  -4.022
  526   3HD2  LEU  65          3HD2      LEU  65  -0.657  -3.031  -3.450
  527    H    ASN  66           H        ASN  66   1.155  -6.733  -8.590
  528    HA   ASN  66           HA       ASN  66  -1.040  -6.845 -10.494
  529   1HB   ASN  66          2HB       ASN  66   0.329  -4.534 -10.396
  530   2HB   ASN  66          1HB       ASN  66   1.391  -5.443 -11.467
  531   1HD2  ASN  66          1HD2      ASN  66   1.009  -4.922 -13.486
  532   2HD2  ASN  66          2HD2      ASN  66  -0.542  -4.680 -14.205
  533    H    GLU  67           H        GLU  67  -0.053  -7.586 -12.721
  534    HA   GLU  67           HA       GLU  67   1.345 -10.036 -12.155
  535   1HB   GLU  67          2HB       GLU  67  -0.110  -8.873 -14.443
  536   2HB   GLU  67          1HB       GLU  67   1.198  -9.971 -14.864
  537   1HG   GLU  67          2HG       GLU  67   0.050 -11.766 -14.221
  538   2HG   GLU  67          1HG       GLU  67  -0.517 -10.991 -12.743
  539    H    ALA  68           H        ALA  68   2.759  -7.339 -11.942
  540    HA   ALA  68           HA       ALA  68   5.165  -8.210 -13.318
  541   1HB   ALA  68          1HB       ALA  68   4.334  -6.804 -15.002
  542   2HB   ALA  68          2HB       ALA  68   5.530  -5.834 -14.143
  543   3HB   ALA  68          3HB       ALA  68   3.810  -5.584 -13.843
  544    H    VAL  69           H        VAL  69   3.949  -7.544 -10.478
  545    HA   VAL  69           HA       VAL  69   6.422  -6.250  -9.550
  546    HB   VAL  69           HB       VAL  69   5.225  -4.871  -7.954
  547   1HG1  VAL  69          1HG1      VAL  69   4.032  -4.500 -10.697
  548   2HG1  VAL  69          2HG1      VAL  69   5.666  -4.017 -10.242
  549   3HG1  VAL  69          3HG1      VAL  69   4.274  -3.262  -9.465
  550   1HG2  VAL  69          1HG2      VAL  69   2.553  -5.163  -9.051
  551   2HG2  VAL  69          2HG2      VAL  69   3.090  -5.162  -7.371
  552   3HG2  VAL  69          3HG2      VAL  69   3.133  -6.653  -8.309
  553    H    SER  70           H        SER  70   6.414  -8.849  -9.395
  554    HA   SER  70           HA       SER  70   5.193  -9.791  -6.947
  555   1HB   SER  70          2HB       SER  70   7.179 -11.334  -8.600
  556   2HB   SER  70          1HB       SER  70   5.878 -11.953  -7.583
  557    HG   SER  70           HG       SER  70   4.425 -10.908  -9.119
  558    H    PHE  71           H        PHE  71   6.152 -10.112  -5.025
  559    HA   PHE  71           HA       PHE  71   9.034 -10.132  -4.751
  560   1HB   PHE  71          2HB       PHE  71   7.381  -7.777  -4.040
  561   2HB   PHE  71          1HB       PHE  71   8.628  -8.249  -2.888
  562    HD1  PHE  71           HD1      PHE  71   7.927  -6.695  -6.058
  563    HD2  PHE  71           HD2      PHE  71  11.003  -8.359  -3.637
  564    HE1  PHE  71           HE1      PHE  71   9.618  -5.558  -7.436
  565    HE2  PHE  71           HE2      PHE  71  12.703  -7.222  -5.006
  566    HZ   PHE  71           HZ       PHE  71  12.012  -5.820  -6.909
  567    H    LEU  72           H        LEU  72   9.535 -11.554  -3.330
  568    HA   LEU  72           HA       LEU  72   8.260 -13.345  -1.961
  569   1HB   LEU  72          2HB       LEU  72   9.964 -13.032  -0.056
  570   2HB   LEU  72          1HB       LEU  72  10.547 -13.368  -1.678
  571    HG   LEU  72           HG       LEU  72  10.700 -10.762  -1.874
  572   1HD1  LEU  72          1HD1      LEU  72  10.119  -9.651  -0.038
  573   2HD1  LEU  72          2HD1      LEU  72  11.538 -10.334   0.755
  574   3HD1  LEU  72          3HD1      LEU  72   9.976 -11.140   0.896
  575   1HD2  LEU  72          1HD2      LEU  72  12.967 -11.046  -0.472
  576   2HD2  LEU  72          2HD2      LEU  72  12.741 -11.716  -2.089
  577   3HD2  LEU  72          3HD2      LEU  72  12.535 -12.745  -0.670
  578    H    SER  73           H        SER  73   8.391 -10.013  -0.738
  579    HA   SER  73           HA       SER  73   6.077 -10.562   0.913
  580   1HB   SER  73          2HB       SER  73   8.060 -11.090   2.345
  581   2HB   SER  73          1HB       SER  73   8.579  -9.414   2.159
  582    HG   SER  73           HG       SER  73   7.401  -9.265   3.934
  583    H    LEU  74           H        LEU  74   5.502  -8.441   2.178
  584    HA   LEU  74           HA       LEU  74   4.882  -6.496   0.283
  585   1HB   LEU  74          2HB       LEU  74   4.452  -6.888   3.084
  586   2HB   LEU  74          1HB       LEU  74   4.920  -5.222   2.801
  587    HG   LEU  74           HG       LEU  74   2.647  -5.081   2.618
  588   1HD1  LEU  74          1HD1      LEU  74   2.845  -5.844  -0.220
  589   2HD1  LEU  74          2HD1      LEU  74   4.026  -4.665   0.348
  590   3HD1  LEU  74          3HD1      LEU  74   2.305  -4.336   0.513
  591   1HD2  LEU  74          1HD2      LEU  74   2.834  -7.892   1.749
  592   2HD2  LEU  74          2HD2      LEU  74   1.481  -6.959   1.106
  593   3HD2  LEU  74          3HD2      LEU  74   1.695  -7.117   2.850
  594    HA   PRO  75           HA       PRO  75   8.365  -3.725   2.640
  595   1HB   PRO  75          2HB       PRO  75  10.394  -5.744   3.026
  596   2HB   PRO  75          1HB       PRO  75   9.664  -4.674   4.222
  597   1HG   PRO  75          2HG       PRO  75   9.024  -7.470   3.576
  598   2HG   PRO  75          1HG       PRO  75   8.678  -6.548   5.047
  599   1HD   PRO  75          2HD       PRO  75   6.743  -7.263   3.315
  600   2HD   PRO  75          1HD       PRO  75   6.678  -5.734   4.215
  601    H    GLU  76           H        GLU  76   9.241  -6.660   0.809
  602    HA   GLU  76           HA       GLU  76  11.140  -5.218  -0.808
  603   1HB   GLU  76          2HB       GLU  76  10.000  -7.994  -1.189
  604   2HB   GLU  76          1HB       GLU  76  11.398  -7.327  -2.021
  605   1HG   GLU  76          2HG       GLU  76  11.142  -8.000   0.895
  606   2HG   GLU  76          1HG       GLU  76  12.191  -8.755  -0.304
  607    H    LEU  77           H        LEU  77   7.874  -6.475  -1.147
  608    HA   LEU  77           HA       LEU  77   7.479  -5.956  -3.867
  609   1HB   LEU  77          2HB       LEU  77   5.815  -7.258  -2.938
  610   2HB   LEU  77          1HB       LEU  77   5.711  -6.281  -1.490
  611    HG   LEU  77           HG       LEU  77   3.715  -6.277  -3.093
  612   1HD1  LEU  77          1HD1      LEU  77   4.181  -3.472  -2.820
  613   2HD1  LEU  77          2HD1      LEU  77   4.801  -4.311  -1.399
  614   3HD1  LEU  77          3HD1      LEU  77   3.118  -4.523  -1.885
  615   1HD2  LEU  77          1HD2      LEU  77   5.722  -5.388  -4.887
  616   2HD2  LEU  77          2HD2      LEU  77   4.589  -4.060  -4.640
  617   3HD2  LEU  77          3HD2      LEU  77   4.003  -5.630  -5.190
  618    H    VAL  78           H        VAL  78   6.905  -3.905  -1.032
  619    HA   VAL  78           HA       VAL  78   5.922  -1.687  -2.492
  620    HB   VAL  78           HB       VAL  78   7.172  -1.819   0.258
  621   1HG1  VAL  78          1HG1      VAL  78   7.076   0.392   0.409
  622   2HG1  VAL  78          2HG1      VAL  78   5.391   0.396  -0.107
  623   3HG1  VAL  78          3HG1      VAL  78   6.678   0.464  -1.305
  624   1HG2  VAL  78          1HG2      VAL  78   5.236  -2.946   0.602
  625   2HG2  VAL  78          2HG2      VAL  78   4.445  -2.237  -0.805
  626   3HG2  VAL  78          3HG2      VAL  78   4.574  -1.314   0.691
  627    H    ASN  79           H        ASN  79   9.122  -2.784  -1.588
  628    HA   ASN  79           HA       ASN  79  10.642  -0.506  -1.924
  629   1HB   ASN  79          2HB       ASN  79  11.429  -2.818  -1.225
  630   2HB   ASN  79          1HB       ASN  79  11.482  -3.224  -2.937
  631   1HD2  ASN  79          1HD2      ASN  79  12.878  -1.939  -4.305
  632   2HD2  ASN  79          2HD2      ASN  79  14.323  -1.264  -3.642
  633    H    TYR  80           H        TYR  80   9.846  -2.903  -4.448
  634    HA   TYR  80           HA       TYR  80  10.956  -1.436  -6.578
  635   1HB   TYR  80          2HB       TYR  80  10.486  -3.802  -6.817
  636   2HB   TYR  80          1HB       TYR  80   8.765  -3.524  -6.570
  637    HD1  TYR  80           HD1      TYR  80   7.475  -2.255  -8.319
  638    HD2  TYR  80           HD2      TYR  80  11.463  -3.595  -8.959
  639    HE1  TYR  80           HE1      TYR  80   7.171  -1.986 -10.744
  640    HE2  TYR  80           HE2      TYR  80  11.169  -3.328 -11.385
  641    HH   TYR  80           HH       TYR  80   9.799  -2.161 -12.958
  642    H    HIS  81           H        HIS  81   7.813  -1.384  -5.034
  643    HA   HIS  81           HA       HIS  81   6.417   0.117  -6.961
  644   1HB   HIS  81          2HB       HIS  81   6.048  -0.570  -4.111
  645   2HB   HIS  81          1HB       HIS  81   5.274   0.923  -4.625
  646    HD1  HIS  81           HD1      HIS  81   4.671  -0.356  -7.557
  647    HD2  HIS  81           HD2      HIS  81   3.518  -1.794  -3.835
  648    HE1  HIS  81           HE1      HIS  81   2.683  -1.821  -7.998
  649    HE2  HIS  81           HE2      HIS  81   1.910  -2.546  -5.719
  650    H    ARG  82           H        ARG  82   8.620   1.014  -4.385
  651    HA   ARG  82           HA       ARG  82   8.062   3.784  -4.487
  652   1HB   ARG  82          2HB       ARG  82   9.041   2.916  -2.482
  653   2HB   ARG  82          1HB       ARG  82  10.393   2.239  -3.376
  654   1HG   ARG  82          2HG       ARG  82  10.434   4.983  -3.928
  655   2HG   ARG  82          1HG       ARG  82  10.097   4.845  -2.203
  656   1HD   ARG  82          2HD       ARG  82  12.320   4.669  -2.003
  657   2HD   ARG  82          1HD       ARG  82  12.065   3.000  -2.506
  658    HE   ARG  82           HE       ARG  82  12.516   3.834  -4.824
  659   1HH1  ARG  82          2HH1      ARG  82  13.828   5.502  -2.040
  660   2HH1  ARG  82          1HH1      ARG  82  15.165   6.161  -2.917
  661   1HH2  ARG  82          1HH2      ARG  82  14.278   4.705  -5.963
  662   2HH2  ARG  82          2HH2      ARG  82  15.421   5.710  -5.138
  663    H    ALA  83           H        ALA  83  10.161   1.701  -6.215
  664    HA   ALA  83           HA       ALA  83  11.682   3.828  -7.412
  665   1HB   ALA  83          1HB       ALA  83  12.654   1.589  -7.141
  666   2HB   ALA  83          2HB       ALA  83  12.624   2.076  -8.836
  667   3HB   ALA  83          3HB       ALA  83  11.432   0.929  -8.228
  668    H    GLN  84           H        GLN  84   9.550   1.376  -8.790
  669    HA   GLN  84           HA       GLN  84   8.749   3.238 -10.903
  670   1HB   GLN  84          2HB       GLN  84   9.471   0.577 -10.999
  671   2HB   GLN  84          1HB       GLN  84   7.716   0.507 -11.082
  672   1HG   GLN  84          2HG       GLN  84   8.458   0.587 -13.304
  673   2HG   GLN  84          1HG       GLN  84   7.866   2.209 -12.943
  674   1HE2  GLN  84          1HE2      GLN  84  10.362   0.451 -14.241
  675   2HE2  GLN  84          2HE2      GLN  84  11.588   1.669 -14.237
  676    H    SER  85           H        SER  85   6.587   3.701 -11.353
  677    HA   SER  85           HA       SER  85   4.745   3.270  -9.106
  678   1HB   SER  85          2HB       SER  85   3.396   4.883 -10.864
  679   2HB   SER  85          1HB       SER  85   4.398   5.463  -9.534
  680    HG   SER  85           HG       SER  85   6.121   5.667 -10.976
  681    H    LEU  86           H        LEU  86   5.576   1.392 -11.438
  682    HA   LEU  86           HA       LEU  86   3.585   0.899 -13.233
  683   1HB   LEU  86          2HB       LEU  86   5.787  -0.317 -12.943
  684   2HB   LEU  86          1HB       LEU  86   4.994  -1.288 -11.718
  685    HG   LEU  86           HG       LEU  86   3.280  -1.513 -13.867
  686   1HD1  LEU  86          1HD1      LEU  86   5.340  -0.388 -15.082
  687   2HD1  LEU  86          2HD1      LEU  86   4.394  -1.665 -15.846
  688   3HD1  LEU  86          3HD1      LEU  86   5.936  -2.048 -15.079
  689   1HD2  LEU  86          1HD2      LEU  86   5.323  -3.186 -12.547
  690   2HD2  LEU  86          2HD2      LEU  86   4.766  -3.736 -14.128
  691   3HD2  LEU  86          3HD2      LEU  86   3.607  -3.489 -12.822
  692    H    SER  87           H        SER  87   1.498   0.489 -13.093
  693    HA   SER  87           HA       SER  87  -0.552  -0.018 -12.241
  694   1HB   SER  87          2HB       SER  87  -0.817  -2.230 -11.430
  695   2HB   SER  87          1HB       SER  87   0.569  -2.301 -12.518
  696    HG   SER  87           HG       SER  87   0.459  -2.549  -9.747
  697    H    HIS  88           H        HIS  88   1.295   1.717 -10.626
  698    HA   HIS  88           HA       HIS  88  -0.313   1.677  -8.205
  699   1HB   HIS  88          2HB       HIS  88   1.775   0.323  -7.776
  700   2HB   HIS  88          1HB       HIS  88   2.703   1.798  -8.031
  701    HD1  HIS  88           HD1      HIS  88   1.634  -0.138  -5.373
  702    HD2  HIS  88           HD2      HIS  88   1.346   3.923  -6.174
  703    HE1  HIS  88           HE1      HIS  88   1.286   0.964  -3.143
  704    HE2  HIS  88           HE2      HIS  88   1.122   3.424  -3.650
  705    H    GLY  89           H        GLY  89  -1.220   3.582  -8.360
  706   1HA   GLY  89          2HA       GLY  89  -0.937   5.786  -9.667
  707   2HA   GLY  89          1HA       GLY  89  -1.231   5.900  -7.945
  708    H    LEU  90           H        LEU  90   0.988   5.638  -6.666
  709    HA   LEU  90           HA       LEU  90   3.002   7.311  -8.002
  710   1HB   LEU  90          2HB       LEU  90   1.292   8.154  -5.988
  711   2HB   LEU  90          1HB       LEU  90   2.781   7.799  -5.141
  712    HG   LEU  90           HG       LEU  90   3.688   9.283  -7.249
  713   1HD1  LEU  90          1HD1      LEU  90   1.844  10.158  -8.217
  714   2HD1  LEU  90          2HD1      LEU  90   1.983  11.314  -6.892
  715   3HD1  LEU  90          3HD1      LEU  90   0.858   9.962  -6.768
  716   1HD2  LEU  90          1HD2      LEU  90   4.596  10.015  -5.333
  717   2HD2  LEU  90          2HD2      LEU  90   3.127   9.713  -4.405
  718   3HD2  LEU  90          3HD2      LEU  90   3.281  11.188  -5.359
  719    H    ARG  91           H        ARG  91   5.058   7.388  -6.659
  720    HA   ARG  91           HA       ARG  91   5.865   4.666  -6.136
  721   1HB   ARG  91          2HB       ARG  91   7.281   7.297  -6.376
  722   2HB   ARG  91          1HB       ARG  91   8.110   5.907  -5.696
  723   1HG   ARG  91          2HG       ARG  91   8.322   4.893  -7.693
  724   2HG   ARG  91          1HG       ARG  91   6.728   5.412  -8.240
  725   1HD   ARG  91          2HD       ARG  91   8.510   7.665  -7.962
  726   2HD   ARG  91          1HD       ARG  91   9.205   6.440  -9.021
  727    HE   ARG  91           HE       ARG  91   6.458   7.075  -9.600
  728   1HH1  ARG  91          2HH1      ARG  91   9.791   7.915 -10.210
  729   2HH1  ARG  91          1HH1      ARG  91   9.452   8.669 -11.732
  730   1HH2  ARG  91          1HH2      ARG  91   6.012   8.065 -11.602
  731   2HH2  ARG  91          2HH2      ARG  91   7.307   8.754 -12.522
  732    H    LEU  92           H        LEU  92   5.616   3.775  -4.203
  733    HA   LEU  92           HA       LEU  92   4.849   4.939  -1.847
  734   1HB   LEU  92          2HB       LEU  92   6.376   2.463  -2.486
  735   2HB   LEU  92          1HB       LEU  92   6.178   2.931  -0.811
  736    HG   LEU  92           HG       LEU  92   4.081   2.163  -0.745
  737   1HD1  LEU  92          1HD1      LEU  92   3.273   4.149  -1.969
  738   2HD1  LEU  92          2HD1      LEU  92   2.318   2.699  -2.258
  739   3HD1  LEU  92          3HD1      LEU  92   3.470   3.251  -3.473
  740   1HD2  LEU  92          1HD2      LEU  92   5.446   0.741  -2.714
  741   2HD2  LEU  92          2HD2      LEU  92   3.789   0.927  -3.284
  742   3HD2  LEU  92          3HD2      LEU  92   4.107   0.198  -1.710
  743    H    ALA  93           H        ALA  93   5.842   6.828  -1.256
  744    HA   ALA  93           HA       ALA  93   8.739   6.932  -1.013
  745   1HB   ALA  93          1HB       ALA  93   8.091   8.936  -1.858
  746   2HB   ALA  93          2HB       ALA  93   8.022   9.334  -0.142
  747   3HB   ALA  93          3HB       ALA  93   6.544   8.922  -1.011
  748    H    ALA  94           H        ALA  94   6.358   8.328   1.225
  749    HA   ALA  94           HA       ALA  94   7.951   7.254   3.448
  750   1HB   ALA  94          1HB       ALA  94   7.794   9.304   4.278
  751   2HB   ALA  94          2HB       ALA  94   6.048   9.102   4.411
  752   3HB   ALA  94          3HB       ALA  94   6.747   9.791   2.946
  753    HA   PRO  95           HA       PRO  95   4.571   4.833   4.964
  754   1HB   PRO  95          2HB       PRO  95   4.704   5.062   7.622
  755   2HB   PRO  95          1HB       PRO  95   6.029   4.343   6.701
  756   1HG   PRO  95          2HG       PRO  95   5.801   7.078   7.874
  757   2HG   PRO  95          1HG       PRO  95   7.212   6.009   7.785
  758   1HD   PRO  95          2HD       PRO  95   6.691   8.126   6.060
  759   2HD   PRO  95          1HD       PRO  95   7.788   6.775   5.720
  760    H    CYS  96           H        CYS  96   2.471   4.751   5.862
  761    HA   CYS  96           HA       CYS  96   0.966   7.143   5.603
  762   1HB   CYS  96          2HB       CYS  96   0.010   4.956   5.061
  763   2HB   CYS  96          1HB       CYS  96   0.185   4.447   6.736
  764    HG   CYS  96           HG       CYS  96  -2.277   5.197   6.312
  765    H    ARG  97           H        ARG  97   0.808   8.716   7.062
  766    HA   ARG  97           HA       ARG  97   1.847   8.615   9.642
  767   1HB   ARG  97          2HB       ARG  97   0.874  10.587   8.028
  768   2HB   ARG  97          1HB       ARG  97  -0.373  10.510   9.265
  769   1HG   ARG  97          2HG       ARG  97   1.144  12.125  10.018
  770   2HG   ARG  97          1HG       ARG  97   1.509  10.680  10.960
  771   1HD   ARG  97          2HD       ARG  97   3.133  10.365   8.788
  772   2HD   ARG  97          1HD       ARG  97   3.140  12.116   8.995
  773    HE   ARG  97           HE       ARG  97   3.568  10.818  11.475
  774   1HH1  ARG  97          2HH1      ARG  97   5.170  11.592   8.472
  775   2HH1  ARG  97          1HH1      ARG  97   6.753  11.601   9.173
  776   1HH2  ARG  97          1HH2      ARG  97   5.650  10.829  12.400
  777   2HH2  ARG  97          2HH2      ARG  97   7.026  11.167  11.403
  778    H    LYS  98           H        LYS  98   1.180   7.571  11.379
  779    HA   LYS  98           HA       LYS  98  -1.692   7.361  11.917
  780   1HB   LYS  98          2HB       LYS  98   0.244   5.043  12.060
  781   2HB   LYS  98          1HB       LYS  98  -1.423   5.005  12.616
  782   1HG   LYS  98          2HG       LYS  98  -2.233   4.736  10.552
  783   2HG   LYS  98          1HG       LYS  98  -1.078   5.863   9.837
  784   1HD   LYS  98          2HD       LYS  98   0.554   4.225   9.593
  785   2HD   LYS  98          1HD       LYS  98  -0.178   3.178  10.809
  786   1HE   LYS  98          2HE       LYS  98  -2.082   2.808   9.291
  787   2HE   LYS  98          1HE       LYS  98  -1.264   3.779   8.068
  788   1HZ   LYS  98          1HZ       LYS  98   0.135   1.477   9.241
  789   2HZ   LYS  98          2HZ       LYS  98   0.303   2.165   7.704
  790   3HZ   LYS  98          3HZ       LYS  98  -1.043   1.204   8.058
  791    H    HIS  99           H        HIS  99   1.007   5.768  13.545
  792    HA   HIS  99           HA       HIS  99   0.872   7.704  15.733
  793   1HB   HIS  99          2HB       HIS  99  -0.494   5.283  15.867
  794   2HB   HIS  99          1HB       HIS  99   0.990   4.983  16.763
  795    HD1  HIS  99           HD1      HIS  99  -2.289   6.571  17.036
  796    HD2  HIS  99           HD2      HIS  99   1.371   6.815  18.988
  797    HE1  HIS  99           HE1      HIS  99  -2.766   7.735  19.213
  798    HE2  HIS  99           HE2      HIS  99  -0.554   7.786  20.419
  799    H    GLU 100           HN       GLU 100   2.588   7.168  17.429
  800    HA   GLU 100           HA       GLU 100   4.872   5.679  16.471
  801   1HB   GLU 100          2HB       GLU 100   6.412   7.608  16.565
  802   2HB   GLU 100          1HB       GLU 100   5.210   7.773  15.293
  803   1HG   GLU 100          2HG       GLU 100   5.275   9.881  16.226
  804   2HG   GLU 100          1HG       GLU 100   3.884   9.144  17.019
  Start of MODEL    3
    1   1H    SER   1          1H        SER   1  12.813   4.654   2.441
    2   2H    SER   1          2H        SER   1  12.836   3.240   3.412
    3   3H    SER   1          3H        SER   1  12.552   4.772   4.130
    4    HA   SER   1           HA       SER   1  10.563   4.932   2.662
    5   1HB   SER   1          2HB       SER   1   9.751   2.480   2.185
    6   2HB   SER   1          1HB       SER   1  10.854   3.272   1.060
    7    HG   SER   1           HG       SER   1  11.531   1.423   3.103
    8    H    GLU   2           H        GLU   2   8.486   4.194   3.565
    9    HA   GLU   2           HA       GLU   2   8.499   2.701   6.020
   10   1HB   GLU   2          2HB       GLU   2   9.116   5.356   6.292
   11   2HB   GLU   2          1HB       GLU   2   7.372   5.368   6.517
   12   1HG   GLU   2          2HG       GLU   2   8.729   3.252   7.998
   13   2HG   GLU   2          1HG       GLU   2   9.229   4.879   8.457
   14    HA   PRO   3           HA       PRO   3   4.411   2.523   4.014
   15   1HB   PRO   3          2HB       PRO   3   4.062  -0.137   4.288
   16   2HB   PRO   3          1HB       PRO   3   5.105   0.527   3.037
   17   1HG   PRO   3          2HG       PRO   3   5.822  -0.822   5.570
   18   2HG   PRO   3          1HG       PRO   3   6.695  -0.781   4.030
   19   1HD   PRO   3          2HD       PRO   3   7.234   0.774   6.325
   20   2HD   PRO   3          1HD       PRO   3   7.937   0.982   4.712
   21    H    TRP   4           H        TRP   4   5.220   0.516   6.875
   22    HA   TRP   4           HA       TRP   4   4.220   0.343   8.920
   23   1HB   TRP   4          2HB       TRP   4   3.635   2.898   8.363
   24   2HB   TRP   4          1HB       TRP   4   2.008   2.230   8.268
   25    HD1  TRP   4           HD1      TRP   4   0.777   2.536  10.476
   26    HE1  TRP   4           HE1      TRP   4   1.401   2.490  12.972
   27    HE3  TRP   4           HE3      TRP   4   5.789   1.619  10.044
   28    HZ2  TRP   4           HZ2      TRP   4   3.710   2.114  14.550
   29    HZ3  TRP   4           HZ3      TRP   4   7.133   1.430  12.097
   30    HH2  TRP   4           HH2      TRP   4   6.114   1.673  14.302
   31    H    PHE   5           H        PHE   5   3.579  -1.735   8.540
   32    HA   PHE   5           HA       PHE   5   1.251  -2.359   6.983
   33   1HB   PHE   5          2HB       PHE   5   1.670  -4.673   7.676
   34   2HB   PHE   5          1HB       PHE   5   3.152  -3.908   7.111
   35    HD1  PHE   5           HD1      PHE   5   1.383  -5.286   9.984
   36    HD2  PHE   5           HD2      PHE   5   4.943  -3.369   8.656
   37    HE1  PHE   5           HE1      PHE   5   2.495  -5.897  12.093
   38    HE2  PHE   5           HE2      PHE   5   6.061  -3.977  10.762
   39    HZ   PHE   5           HZ       PHE   5   4.837  -5.243  12.483
   40    H    PHE   6           H        PHE   6  -0.778  -2.296   7.639
   41    HA   PHE   6           HA       PHE   6  -1.371  -2.772  10.479
   42   1HB   PHE   6          2HB       PHE   6  -1.632  -0.272   9.140
   43   2HB   PHE   6          1HB       PHE   6  -3.255  -0.882   9.446
   44    HD1  PHE   6           HD1      PHE   6  -0.582   0.941  10.785
   45    HD2  PHE   6           HD2      PHE   6  -3.644  -1.805  11.877
   46    HE1  PHE   6           HE1      PHE   6  -0.422   1.698  13.120
   47    HE2  PHE   6           HE2      PHE   6  -3.490  -1.053  14.214
   48    HZ   PHE   6           HZ       PHE   6  -1.878   0.701  14.838
   49    H    GLY   7           H        GLY   7  -2.234  -4.779  10.168
   50   1HA   GLY   7          2HA       GLY   7  -4.116  -5.258   8.032
   51   2HA   GLY   7          1HA       GLY   7  -3.557  -6.428   9.213
   52    H    CYS   8           H        CYS   8  -4.687  -3.430  10.465
   53    HA   CYS   8           HA       CYS   8  -7.238  -4.709  11.098
   54   1HB   CYS   8          2HB       CYS   8  -5.202  -3.979  12.899
   55   2HB   CYS   8          1HB       CYS   8  -6.497  -2.809  13.128
   56    HG   CYS   8           HG       CYS   8  -7.684  -4.503  14.413
   57    H    ILE   9           H        ILE   9  -5.830  -2.143   9.542
   58    HA   ILE   9           HA       ILE   9  -7.741  -0.110  10.246
   59    HB   ILE   9           HB       ILE   9  -6.764   1.162   8.344
   60   1HG1  ILE   9          2HG1      ILE   9  -4.648  -0.939   8.102
   61   2HG1  ILE   9          1HG1      ILE   9  -6.132  -1.108   7.175
   62   1HG2  ILE   9          1HG2      ILE   9  -5.758   1.638  10.378
   63   2HG2  ILE   9          2HG2      ILE   9  -4.390   1.203   9.354
   64   3HG2  ILE   9          3HG2      ILE   9  -5.032   0.036  10.510
   65   1HD1  ILE   9          1HD1      ILE   9  -5.469   1.457   6.630
   66   2HD1  ILE   9          2HD1      ILE   9  -5.019   0.070   5.638
   67   3HD1  ILE   9          3HD1      ILE   9  -3.879   0.719   6.816
   68    H    SER  10           H        SER  10  -9.612   0.394   9.257
   69    HA   SER  10           HA       SER  10 -10.674  -1.483   7.336
   70   1HB   SER  10          2HB       SER  10 -11.767   0.707   9.025
   71   2HB   SER  10          1HB       SER  10 -12.642   0.330   7.541
   72    HG   SER  10           HG       SER  10 -11.879  -1.655   9.408
   73    H    ARG  11           H        ARG  11 -11.684  -0.809   5.323
   74    HA   ARG  11           HA       ARG  11  -9.985   0.642   3.674
   75   1HB   ARG  11          2HB       ARG  11 -11.632  -1.010   2.860
   76   2HB   ARG  11          1HB       ARG  11 -12.926   0.114   3.249
   77   1HG   ARG  11          2HG       ARG  11 -12.316   1.590   1.542
   78   2HG   ARG  11          1HG       ARG  11 -10.722   0.855   1.358
   79   1HD   ARG  11          2HD       ARG  11 -11.781  -0.064  -0.444
   80   2HD   ARG  11          1HD       ARG  11 -12.161  -1.279   0.775
   81    HE   ARG  11           HE       ARG  11 -14.150   0.753   0.661
   82   1HH1  ARG  11          2HH1      ARG  11 -13.016  -2.125  -0.954
   83   2HH1  ARG  11          1HH1      ARG  11 -14.567  -2.514  -1.619
   84   1HH2  ARG  11          1HH2      ARG  11 -16.191   0.243  -0.212
   85   2HH2  ARG  11          2HH2      ARG  11 -16.370  -1.171  -1.197
   86    H    SER  12           H        SER  12 -12.581   1.678   5.662
   87    HA   SER  12           HA       SER  12 -13.019   4.213   4.455
   88   1HB   SER  12          2HB       SER  12 -14.379   2.769   6.294
   89   2HB   SER  12          1HB       SER  12 -13.572   3.928   7.350
   90    HG   SER  12           HG       SER  12 -14.433   5.578   5.914
   91    H    GLU  13           H        GLU  13 -10.793   3.019   6.876
   92    HA   GLU  13           HA       GLU  13  -9.981   5.636   7.742
   93   1HB   GLU  13          2HB       GLU  13  -8.322   3.183   8.177
   94   2HB   GLU  13          1HB       GLU  13  -8.530   4.582   9.221
   95   1HG   GLU  13          2HG       GLU  13 -10.951   3.795   9.484
   96   2HG   GLU  13          1HG       GLU  13 -10.392   2.273   8.792
   97    H    ALA  14           H        ALA  14  -8.435   3.066   5.812
   98    HA   ALA  14           HA       ALA  14  -6.064   4.387   5.270
   99   1HB   ALA  14          1HB       ALA  14  -5.865   2.895   3.322
  100   2HB   ALA  14          2HB       ALA  14  -7.553   2.426   3.529
  101   3HB   ALA  14          3HB       ALA  14  -6.370   2.039   4.778
  102    H    VAL  15           H        VAL  15  -9.222   4.837   3.854
  103    HA   VAL  15           HA       VAL  15  -8.286   6.332   1.588
  104    HB   VAL  15           HB       VAL  15 -11.053   6.361   2.798
  105   1HG1  VAL  15          1HG1      VAL  15 -10.792   8.203   1.318
  106   2HG1  VAL  15          2HG1      VAL  15 -11.703   6.966   0.453
  107   3HG1  VAL  15          3HG1      VAL  15  -9.988   7.198   0.112
  108   1HG2  VAL  15          1HG2      VAL  15  -9.813   4.148   1.830
  109   2HG2  VAL  15          2HG2      VAL  15 -10.579   4.783   0.373
  110   3HG2  VAL  15          3HG2      VAL  15 -11.556   4.416   1.794
  111    H    ARG  16           H        ARG  16  -9.729   7.203   4.725
  112    HA   ARG  16           HA       ARG  16  -9.348  10.021   4.217
  113   1HB   ARG  16          2HB       ARG  16 -10.219   8.571   6.722
  114   2HB   ARG  16          1HB       ARG  16 -10.230  10.316   6.511
  115   1HG   ARG  16          2HG       ARG  16 -11.679   8.839   4.438
  116   2HG   ARG  16          1HG       ARG  16 -12.346   8.677   6.064
  117   1HD   ARG  16          2HD       ARG  16 -11.664  11.326   4.803
  118   2HD   ARG  16          1HD       ARG  16 -13.260  10.583   4.696
  119    HE   ARG  16           HE       ARG  16 -12.156  11.957   6.938
  120   1HH1  ARG  16          2HH1      ARG  16 -14.334   9.391   6.020
  121   2HH1  ARG  16          1HH1      ARG  16 -15.279   9.506   7.467
  122   1HH2  ARG  16          1HH2      ARG  16 -13.398  12.111   8.841
  123   2HH2  ARG  16          2HH2      ARG  16 -14.749  11.052   9.068
  124    H    ARG  17           H        ARG  17  -7.493   7.475   5.391
  125    HA   ARG  17           HA       ARG  17  -5.810   9.063   7.117
  126   1HB   ARG  17          2HB       ARG  17  -6.351   6.640   7.546
  127   2HB   ARG  17          1HB       ARG  17  -5.342   6.234   6.164
  128   1HG   ARG  17          2HG       ARG  17  -3.451   7.396   7.317
  129   2HG   ARG  17          1HG       ARG  17  -4.494   7.552   8.726
  130   1HD   ARG  17          2HD       ARG  17  -4.661   5.178   8.957
  131   2HD   ARG  17          1HD       ARG  17  -3.839   4.919   7.420
  132    HE   ARG  17           HE       ARG  17  -2.036   6.317   8.902
  133   1HH1  ARG  17          2HH1      ARG  17  -3.823   3.360   9.394
  134   2HH1  ARG  17          1HH1      ARG  17  -2.608   2.647  10.402
  135   1HH2  ARG  17          1HH2      ARG  17  -0.438   5.382  10.227
  136   2HH2  ARG  17          2HH2      ARG  17  -0.688   3.796  10.879
  137    H    LEU  18           H        LEU  18  -5.539   7.453   3.956
  138    HA   LEU  18           HA       LEU  18  -2.889   8.227   3.431
  139   1HB   LEU  18          2HB       LEU  18  -5.137   7.197   1.856
  140   2HB   LEU  18          1HB       LEU  18  -3.943   8.103   0.953
  141    HG   LEU  18           HG       LEU  18  -3.369   5.828   0.770
  142   1HD1  LEU  18          1HD1      LEU  18  -1.553   7.522   1.363
  143   2HD1  LEU  18          2HD1      LEU  18  -1.167   5.809   1.535
  144   3HD1  LEU  18          3HD1      LEU  18  -1.555   6.771   2.958
  145   1HD2  LEU  18          1HD2      LEU  18  -4.124   5.747   3.617
  146   2HD2  LEU  18          2HD2      LEU  18  -2.804   4.692   3.116
  147   3HD2  LEU  18          3HD2      LEU  18  -4.379   4.561   2.338
  148    H    GLN  19           H        GLN  19  -5.961   9.669   2.773
  149    HA   GLN  19           HA       GLN  19  -4.927  11.941   1.367
  150   1HB   GLN  19          2HB       GLN  19  -7.529  10.840   2.006
  151   2HB   GLN  19          1HB       GLN  19  -7.501  12.581   2.251
  152   1HG   GLN  19          2HG       GLN  19  -6.429  12.668  -0.090
  153   2HG   GLN  19          1HG       GLN  19  -7.043  11.024  -0.259
  154   1HE2  GLN  19          1HE2      GLN  19  -8.980  10.851  -1.116
  155   2HE2  GLN  19          2HE2      GLN  19 -10.212  12.063  -1.113
  156    H    ALA  20           H        ALA  20  -5.423  11.160   4.691
  157    HA   ALA  20           HA       ALA  20  -5.949  13.526   5.948
  158   1HB   ALA  20          1HB       ALA  20  -5.272  11.118   6.830
  159   2HB   ALA  20          2HB       ALA  20  -5.173  12.551   7.854
  160   3HB   ALA  20          3HB       ALA  20  -3.721  11.922   7.075
  161    H    GLU  21           H        GLU  21  -4.266  14.868   7.266
  162    HA   GLU  21           HA       GLU  21  -2.400  15.911   5.315
  163   1HB   GLU  21          2HB       GLU  21  -3.161  17.013   8.018
  164   2HB   GLU  21          1HB       GLU  21  -2.135  17.827   6.846
  165   1HG   GLU  21          2HG       GLU  21  -3.946  18.069   5.317
  166   2HG   GLU  21          1HG       GLU  21  -4.984  17.040   6.303
  167    H    GLY  22           H        GLY  22  -2.088  13.465   6.989
  168   1HA   GLY  22          2HA       GLY  22   0.471  14.035   8.302
  169   2HA   GLY  22          1HA       GLY  22  -0.456  12.548   8.464
  170    H    ASN  23           H        ASN  23  -0.764  13.023   5.359
  171    HA   ASN  23           HA       ASN  23   1.633  11.476   4.658
  172   1HB   ASN  23          2HB       ASN  23  -1.117  11.615   3.436
  173   2HB   ASN  23          1HB       ASN  23   0.232  10.755   2.700
  174   1HD2  ASN  23          1HD2      ASN  23  -1.135   8.889   2.900
  175   2HD2  ASN  23          2HD2      ASN  23  -1.200   8.037   4.399
  176    H    ALA  24           H        ALA  24   3.096  12.303   3.355
  177    HA   ALA  24           HA       ALA  24   2.394  14.736   1.876
  178   1HB   ALA  24          1HB       ALA  24   4.134  15.169   3.469
  179   2HB   ALA  24          2HB       ALA  24   4.845  15.194   1.855
  180   3HB   ALA  24          3HB       ALA  24   5.066  13.787   2.896
  181    H    THR  25           H        THR  25   1.454  12.880   0.521
  182    HA   THR  25           HA       THR  25   1.412  11.790  -1.442
  183    HB   THR  25           HB       THR  25   2.757  12.606  -3.237
  184    HG1  THR  25           HG1      THR  25   4.790  12.443  -2.256
  185   1HG2  THR  25          1HG2      THR  25   2.507  14.952  -3.136
  186   2HG2  THR  25          2HG2      THR  25   2.554  14.950  -1.372
  187   3HG2  THR  25          3HG2      THR  25   1.172  14.257  -2.218
  188    H    GLY  26           H        GLY  26   1.978   9.834  -2.221
  189   1HA   GLY  26          2HA       GLY  26   3.265   7.922  -2.563
  190   2HA   GLY  26          1HA       GLY  26   4.616   8.717  -1.767
  191    H    ALA  27           H        ALA  27   2.546   9.361   0.462
  192    HA   ALA  27           HA       ALA  27   3.302   7.594   2.376
  193   1HB   ALA  27          1HB       ALA  27   1.998   9.558   2.901
  194   2HB   ALA  27          2HB       ALA  27   1.162   8.135   3.524
  195   3HB   ALA  27          3HB       ALA  27   0.606   8.906   2.038
  196    H    PHE  28           H        PHE  28   3.080   5.404   2.613
  197    HA   PHE  28           HA       PHE  28   0.704   4.168   1.381
  198   1HB   PHE  28          2HB       PHE  28   2.248   2.247   0.767
  199   2HB   PHE  28          1HB       PHE  28   2.416   3.725  -0.166
  200    HD1  PHE  28           HD1      PHE  28   4.165   1.216   1.482
  201    HD2  PHE  28           HD2      PHE  28   4.223   5.406   0.828
  202    HE1  PHE  28           HE1      PHE  28   6.573   1.267   1.997
  203    HE2  PHE  28           HE2      PHE  28   6.617   5.460   1.331
  204    HZ   PHE  28           HZ       PHE  28   7.803   3.391   1.918
  205    H    LEU  29           H        LEU  29   0.227   2.078   2.205
  206    HA   LEU  29           HA       LEU  29   1.314   1.252   4.749
  207   1HB   LEU  29          2HB       LEU  29  -1.022   1.265   5.749
  208   2HB   LEU  29          1HB       LEU  29  -0.159   2.786   5.677
  209    HG   LEU  29           HG       LEU  29  -1.699   3.745   4.321
  210   1HD1  LEU  29          1HD1      LEU  29  -1.122   2.029   2.460
  211   2HD1  LEU  29          2HD1      LEU  29  -2.646   2.886   2.390
  212   3HD1  LEU  29          3HD1      LEU  29  -2.595   1.227   2.978
  213   1HD2  LEU  29          1HD2      LEU  29  -2.847   2.295   6.214
  214   2HD2  LEU  29          2HD2      LEU  29  -3.595   1.540   4.805
  215   3HD2  LEU  29          3HD2      LEU  29  -3.773   3.274   5.076
  216    H    ILE  30           H        ILE  30   0.954  -0.909   5.134
  217    HA   ILE  30           HA       ILE  30  -0.691  -2.229   3.080
  218    HB   ILE  30           HB       ILE  30   1.194  -3.912   4.602
  219   1HG1  ILE  30          2HG1      ILE  30   2.361  -1.633   3.913
  220   2HG1  ILE  30          1HG1      ILE  30   3.178  -3.165   3.659
  221   1HG2  ILE  30          1HG2      ILE  30   1.334  -4.200   1.785
  222   2HG2  ILE  30          2HG2      ILE  30  -0.355  -3.979   2.220
  223   3HG2  ILE  30          3HG2      ILE  30   0.580  -5.272   2.958
  224   1HD1  ILE  30          1HD1      ILE  30   3.284  -2.833   1.474
  225   2HD1  ILE  30          2HD1      ILE  30   2.741  -1.184   1.787
  226   3HD1  ILE  30          3HD1      ILE  30   1.569  -2.435   1.374
  227    H    ARG  31           H        ARG  31  -2.567  -2.849   3.758
  228    HA   ARG  31           HA       ARG  31  -2.858  -3.730   6.552
  229   1HB   ARG  31          2HB       ARG  31  -5.163  -3.058   6.435
  230   2HB   ARG  31          1HB       ARG  31  -4.190  -1.726   5.823
  231   1HG   ARG  31          2HG       ARG  31  -4.648  -2.663   3.512
  232   2HG   ARG  31          1HG       ARG  31  -5.878  -3.663   4.286
  233   1HD   ARG  31          2HD       ARG  31  -6.481  -1.217   5.297
  234   2HD   ARG  31          1HD       ARG  31  -5.865  -0.780   3.705
  235    HE   ARG  31           HE       ARG  31  -7.915  -2.858   3.889
  236   1HH1  ARG  31          2HH1      ARG  31  -7.052   0.418   3.022
  237   2HH1  ARG  31          1HH1      ARG  31  -8.450   0.649   2.029
  238   1HH2  ARG  31          1HH2      ARG  31  -9.746  -2.545   2.582
  239   2HH2  ARG  31          2HH2      ARG  31  -9.973  -1.030   1.776
  240    H    VAL  32           H        VAL  32  -5.156  -5.122   6.504
  241    HA   VAL  32           HA       VAL  32  -4.391  -7.433   4.905
  242    HB   VAL  32           HB       VAL  32  -6.059  -8.677   6.237
  243   1HG1  VAL  32          1HG1      VAL  32  -4.124  -8.972   7.347
  244   2HG1  VAL  32          2HG1      VAL  32  -4.883  -7.940   8.559
  245   3HG1  VAL  32          3HG1      VAL  32  -3.763  -7.246   7.388
  246   1HG2  VAL  32          1HG2      VAL  32  -7.159  -7.604   8.140
  247   2HG2  VAL  32          2HG2      VAL  32  -7.642  -6.854   6.619
  248   3HG2  VAL  32          3HG2      VAL  32  -6.472  -6.050   7.665
  249    H    SER  33           H        SER  33  -5.517  -8.259   3.289
  250    HA   SER  33           HA       SER  33  -7.175  -6.727   1.729
  251   1HB   SER  33          2HB       SER  33  -7.930  -9.244   1.015
  252   2HB   SER  33          1HB       SER  33  -6.448  -8.457   0.473
  253    HG   SER  33           HG       SER  33  -6.718 -10.178   2.715
  254    H    GLU  34           H        GLU  34  -8.849  -5.762   2.897
  255    HA   GLU  34           HA       GLU  34 -10.712  -7.210   4.460
  256   1HB   GLU  34          2HB       GLU  34 -11.005  -4.534   3.084
  257   2HB   GLU  34          1HB       GLU  34 -12.116  -5.173   4.288
  258   1HG   GLU  34          2HG       GLU  34  -9.267  -5.022   5.052
  259   2HG   GLU  34          1HG       GLU  34 -10.132  -3.496   4.875
  260    H    LYS  35           H        LYS  35 -10.258  -6.878   1.134
  261    HA   LYS  35           HA       LYS  35 -12.943  -7.918   0.555
  262   1HB   LYS  35          2HB       LYS  35 -11.519  -7.123  -1.826
  263   2HB   LYS  35          1HB       LYS  35 -13.068  -6.562  -1.218
  264   1HG   LYS  35          2HG       LYS  35 -12.125  -4.764  -0.101
  265   2HG   LYS  35          1HG       LYS  35 -10.521  -5.493  -0.071
  266   1HD   LYS  35          2HD       LYS  35 -11.253  -5.236  -2.784
  267   2HD   LYS  35          1HD       LYS  35 -11.650  -3.708  -1.997
  268   1HE   LYS  35          2HE       LYS  35  -9.481  -3.210  -1.566
  269   2HE   LYS  35          1HE       LYS  35  -9.031  -4.897  -1.320
  270   1HZ   LYS  35          1HZ       LYS  35  -7.985  -4.083  -3.295
  271   2HZ   LYS  35          2HZ       LYS  35  -9.456  -3.535  -3.923
  272   3HZ   LYS  35          3HZ       LYS  35  -9.177  -5.195  -3.752
  273    HA   PRO  36           HA       PRO  36  -9.831 -10.590  -2.158
  274   1HB   PRO  36          2HB       PRO  36  -7.348 -10.078  -0.606
  275   2HB   PRO  36          1HB       PRO  36  -7.566 -10.280  -2.344
  276   1HG   PRO  36          2HG       PRO  36  -7.108  -7.874  -1.295
  277   2HG   PRO  36          1HG       PRO  36  -8.219  -8.087  -2.658
  278   1HD   PRO  36          2HD       PRO  36  -8.822  -7.626   0.226
  279   2HD   PRO  36          1HD       PRO  36  -9.660  -7.020  -1.214
  280    H    SER  37           H        SER  37  -8.363 -12.576  -1.376
  281    HA   SER  37           HA       SER  37  -9.802 -13.691   0.871
  282   1HB   SER  37          2HB       SER  37  -8.695 -15.809   0.247
  283   2HB   SER  37          1HB       SER  37  -9.488 -15.052  -1.134
  284    HG   SER  37           HG       SER  37  -7.540 -14.454  -1.939
  285    H    ALA  38           H        ALA  38  -6.457 -14.588   0.314
  286    HA   ALA  38           HA       ALA  38  -5.811 -13.611   3.019
  287   1HB   ALA  38          1HB       ALA  38  -4.260 -15.443   3.240
  288   2HB   ALA  38          2HB       ALA  38  -4.555 -15.944   1.575
  289   3HB   ALA  38          3HB       ALA  38  -5.838 -16.079   2.778
  290    H    ASP  39           H        ASP  39  -5.481 -11.645   1.476
  291    HA   ASP  39           HA       ASP  39  -2.640 -11.614   0.698
  292   1HB   ASP  39          2HB       ASP  39  -4.779  -9.979  -0.664
  293   2HB   ASP  39          1HB       ASP  39  -3.135 -10.285  -1.208
  294    H    TYR  40           H        TYR  40  -2.559  -8.852   0.065
  295    HA   TYR  40           HA       TYR  40  -3.396  -7.478   2.507
  296   1HB   TYR  40          2HB       TYR  40  -0.586  -8.079   1.777
  297   2HB   TYR  40          1HB       TYR  40  -0.888  -6.373   2.100
  298    HD1  TYR  40           HD1      TYR  40  -0.589  -5.659   4.281
  299    HD2  TYR  40           HD2      TYR  40  -1.761  -9.690   3.591
  300    HE1  TYR  40           HE1      TYR  40  -0.462  -6.103   6.695
  301    HE2  TYR  40           HE2      TYR  40  -1.641 -10.145   6.005
  302    HH   TYR  40           HH       TYR  40  -0.217  -7.949   8.220
  303    H    VAL  41           H        VAL  41  -3.994  -5.431   2.156
  304    HA   VAL  41           HA       VAL  41  -3.774  -4.569  -0.649
  305    HB   VAL  41           HB       VAL  41  -5.703  -3.000  -0.016
  306   1HG1  VAL  41          1HG1      VAL  41  -5.714  -5.928  -0.501
  307   2HG1  VAL  41          2HG1      VAL  41  -6.384  -4.616  -1.471
  308   3HG1  VAL  41          3HG1      VAL  41  -7.253  -5.195  -0.051
  309   1HG2  VAL  41          1HG2      VAL  41  -6.834  -4.779   1.906
  310   2HG2  VAL  41          2HG2      VAL  41  -6.469  -3.064   2.078
  311   3HG2  VAL  41          3HG2      VAL  41  -5.256  -4.268   2.497
  312    H    LEU  42           H        LEU  42  -2.682  -2.830  -1.166
  313    HA   LEU  42           HA       LEU  42  -1.641  -1.185   1.018
  314   1HB   LEU  42          2HB       LEU  42   0.051  -2.356  -0.262
  315   2HB   LEU  42          1HB       LEU  42  -0.567  -1.670  -1.752
  316    HG   LEU  42           HG       LEU  42   0.103   0.561  -1.037
  317   1HD1  LEU  42          1HD1      LEU  42   0.506  -0.856   1.509
  318   2HD1  LEU  42          2HD1      LEU  42   0.016   0.804   1.187
  319   3HD1  LEU  42          3HD1      LEU  42   1.717   0.356   1.095
  320   1HD2  LEU  42          1HD2      LEU  42   2.596   0.097  -0.868
  321   2HD2  LEU  42          2HD2      LEU  42   1.763  -0.590  -2.263
  322   3HD2  LEU  42          3HD2      LEU  42   2.176  -1.616  -0.888
  323    H    SER  43           H        SER  43  -1.981   0.971   1.033
  324    HA   SER  43           HA       SER  43  -3.223   2.152  -1.335
  325   1HB   SER  43          2HB       SER  43  -4.301   3.635   0.657
  326   2HB   SER  43          1HB       SER  43  -5.096   2.343  -0.230
  327    HG   SER  43           HG       SER  43  -4.459   0.901   1.408
  328    H    VAL  44           H        VAL  44  -2.680   4.115  -1.935
  329    HA   VAL  44           HA       VAL  44  -0.723   5.537  -0.269
  330    HB   VAL  44           HB       VAL  44   0.257   4.094  -2.183
  331   1HG1  VAL  44          1HG1      VAL  44   0.058   6.463  -3.904
  332   2HG1  VAL  44          2HG1      VAL  44  -1.417   5.509  -3.751
  333   3HG1  VAL  44          3HG1      VAL  44   0.068   4.750  -4.319
  334   1HG2  VAL  44          1HG2      VAL  44   1.719   5.413  -0.939
  335   2HG2  VAL  44          2HG2      VAL  44   0.992   6.917  -1.504
  336   3HG2  VAL  44          3HG2      VAL  44   1.975   5.947  -2.601
  337    H    ARG  45           H        ARG  45  -0.751   7.718  -0.310
  338    HA   ARG  45           HA       ARG  45  -3.110   9.022  -1.117
  339   1HB   ARG  45          2HB       ARG  45  -1.579   9.834   0.685
  340   2HB   ARG  45          1HB       ARG  45  -0.405  10.263  -0.550
  341   1HG   ARG  45          2HG       ARG  45  -1.911  11.904  -1.470
  342   2HG   ARG  45          1HG       ARG  45  -3.176  11.417  -0.340
  343   1HD   ARG  45          2HD       ARG  45  -1.647  12.057   1.526
  344   2HD   ARG  45          1HD       ARG  45  -0.534  12.705   0.326
  345    HE   ARG  45           HE       ARG  45  -3.128  13.808   1.089
  346   1HH1  ARG  45          2HH1      ARG  45  -0.297  14.001  -0.951
  347   2HH1  ARG  45          1HH1      ARG  45  -0.589  15.645  -1.405
  348   1HH2  ARG  45          1HH2      ARG  45  -3.507  15.966   0.486
  349   2HH2  ARG  45          2HH2      ARG  45  -2.406  16.761  -0.591
  350    H    ASP  46           H        ASP  46  -0.365   8.009  -2.767
  351    HA   ASP  46           HA       ASP  46   0.539   8.445  -4.848
  352   1HB   ASP  46          2HB       ASP  46  -1.519   7.202  -5.383
  353   2HB   ASP  46          1HB       ASP  46  -2.383   8.728  -5.545
  354    H    THR  47           H        THR  47   0.097  10.862  -3.209
  355    HA   THR  47           HA       THR  47   0.954  12.972  -3.680
  356    HB   THR  47           HB       THR  47   1.040  12.220  -6.199
  357    HG1  THR  47           HG1      THR  47   0.990  14.834  -5.165
  358   1HG2  THR  47          1HG2      THR  47  -0.505  13.002  -7.650
  359   2HG2  THR  47          2HG2      THR  47  -0.954  14.358  -6.615
  360   3HG2  THR  47          3HG2      THR  47  -1.564  12.741  -6.264
  361    H    GLN  48           H        GLN  48  -2.232  11.873  -4.210
  362    HA   GLN  48           HA       GLN  48  -3.278  14.015  -2.610
  363   1HB   GLN  48          2HB       GLN  48  -4.027  13.816  -5.526
  364   2HB   GLN  48          1HB       GLN  48  -4.985  14.696  -4.343
  365   1HG   GLN  48          2HG       GLN  48  -2.742  15.920  -3.849
  366   2HG   GLN  48          1HG       GLN  48  -2.292  15.328  -5.447
  367   1HE2  GLN  48          1HE2      GLN  48  -3.698  17.815  -3.778
  368   2HE2  GLN  48          2HE2      GLN  48  -4.547  18.578  -5.075
  369    H    ALA  49           H        ALA  49  -5.683  12.908  -4.688
  370    HA   ALA  49           HA       ALA  49  -7.219  11.648  -2.806
  371   1HB   ALA  49          1HB       ALA  49  -8.268  12.186  -4.830
  372   2HB   ALA  49          2HB       ALA  49  -8.259  10.422  -4.798
  373   3HB   ALA  49          3HB       ALA  49  -7.085  11.293  -5.784
  374    H    VAL  50           H        VAL  50  -7.291   9.687  -1.847
  375    HA   VAL  50           HA       VAL  50  -5.051   8.015  -1.887
  376    HB   VAL  50           HB       VAL  50  -7.832   7.269  -0.969
  377   1HG1  VAL  50          1HG1      VAL  50  -5.114   6.052  -0.522
  378   2HG1  VAL  50          2HG1      VAL  50  -6.579   5.274  -1.119
  379   3HG1  VAL  50          3HG1      VAL  50  -6.464   5.758   0.572
  380   1HG2  VAL  50          1HG2      VAL  50  -7.335   9.131   0.298
  381   2HG2  VAL  50          2HG2      VAL  50  -5.603   8.799   0.298
  382   3HG2  VAL  50          3HG2      VAL  50  -6.688   7.828   1.292
  383    H    ARG  51           H        ARG  51  -4.865   5.833  -2.495
  384    HA   ARG  51           HA       ARG  51  -6.655   4.779  -4.514
  385   1HB   ARG  51          2HB       ARG  51  -3.786   4.780  -5.282
  386   2HB   ARG  51          1HB       ARG  51  -5.216   4.820  -6.302
  387   1HG   ARG  51          2HG       ARG  51  -5.552   7.186  -5.665
  388   2HG   ARG  51          1HG       ARG  51  -4.042   7.120  -4.753
  389   1HD   ARG  51          2HD       ARG  51  -3.692   8.111  -6.940
  390   2HD   ARG  51          1HD       ARG  51  -2.829   6.580  -6.798
  391    HE   ARG  51           HE       ARG  51  -5.462   6.491  -8.037
  392   1HH1  ARG  51          2HH1      ARG  51  -1.997   6.557  -8.485
  393   2HH1  ARG  51          1HH1      ARG  51  -2.073   5.945 -10.101
  394   1HH2  ARG  51          1HH2      ARG  51  -5.555   5.687 -10.161
  395   2HH2  ARG  51          2HH2      ARG  51  -4.089   5.452 -11.053
  396    H    HIS  52           H        HIS  52  -7.052   2.892  -3.562
  397    HA   HIS  52           HA       HIS  52  -5.014   1.575  -2.007
  398   1HB   HIS  52          2HB       HIS  52  -7.853   0.715  -2.650
  399   2HB   HIS  52          1HB       HIS  52  -6.802  -0.004  -1.424
  400    HD1  HIS  52           HD1      HIS  52  -6.377   1.330   0.703
  401    HD2  HIS  52           HD2      HIS  52  -8.908   3.238  -1.970
  402    HE1  HIS  52           HE1      HIS  52  -7.115   3.413   1.857
  403    HE2  HIS  52           HE2      HIS  52  -8.555   4.614   0.190
  404    H    TYR  53           H        TYR  53  -4.606  -0.767  -2.279
  405    HA   TYR  53           HA       TYR  53  -4.820  -1.737  -5.020
  406   1HB   TYR  53          2HB       TYR  53  -2.138  -1.538  -3.658
  407   2HB   TYR  53          1HB       TYR  53  -2.468  -1.969  -5.332
  408    HD1  TYR  53           HD1      TYR  53  -1.476   0.652  -3.167
  409    HD2  TYR  53           HD2      TYR  53  -3.682  -0.107  -6.727
  410    HE1  TYR  53           HE1      TYR  53  -1.132   2.980  -3.881
  411    HE2  TYR  53           HE2      TYR  53  -3.342   2.214  -7.446
  412    HH   TYR  53           HH       TYR  53  -1.880   4.595  -5.352
  413    H    LYS  54           H        LYS  54  -5.022  -3.892  -5.111
  414    HA   LYS  54           HA       LYS  54  -4.943  -5.402  -2.638
  415   1HB   LYS  54          2HB       LYS  54  -6.832  -5.811  -4.074
  416   2HB   LYS  54          1HB       LYS  54  -5.786  -6.115  -5.453
  417   1HG   LYS  54          2HG       LYS  54  -4.934  -8.132  -4.345
  418   2HG   LYS  54          1HG       LYS  54  -6.026  -7.834  -2.992
  419   1HD   LYS  54          2HD       LYS  54  -7.322  -9.277  -4.192
  420   2HD   LYS  54          1HD       LYS  54  -7.819  -7.763  -4.949
  421   1HE   LYS  54          2HE       LYS  54  -5.439  -8.982  -6.145
  422   2HE   LYS  54          1HE       LYS  54  -6.895  -9.965  -6.278
  423   1HZ   LYS  54          1HZ       LYS  54  -7.899  -8.465  -7.629
  424   2HZ   LYS  54          2HZ       LYS  54  -6.294  -8.114  -8.036
  425   3HZ   LYS  54          3HZ       LYS  54  -7.122  -7.129  -6.938
  426    H    ILE  55           H        ILE  55  -3.023  -6.137  -1.986
  427    HA   ILE  55           HA       ILE  55  -0.982  -6.846  -3.959
  428    HB   ILE  55           HB       ILE  55  -0.511  -7.099  -1.030
  429   1HG1  ILE  55          2HG1      ILE  55  -0.104  -4.389  -2.213
  430   2HG1  ILE  55          1HG1      ILE  55  -1.719  -4.819  -1.659
  431   1HG2  ILE  55          1HG2      ILE  55   1.520  -5.680  -2.401
  432   2HG2  ILE  55          2HG2      ILE  55   1.058  -7.076  -3.374
  433   3HG2  ILE  55          3HG2      ILE  55   1.577  -7.297  -1.703
  434   1HD1  ILE  55          1HD1      ILE  55  -1.001  -4.035   0.298
  435   2HD1  ILE  55          2HD1      ILE  55   0.698  -4.213  -0.140
  436   3HD1  ILE  55          3HD1      ILE  55  -0.213  -5.603   0.445
  437    H    TRP  56           H        TRP  56  -1.680  -8.789  -4.761
  438    HA   TRP  56           HA       TRP  56  -2.605 -10.881  -3.011
  439   1HB   TRP  56          2HB       TRP  56  -3.525 -10.432  -5.302
  440   2HB   TRP  56          1HB       TRP  56  -2.015 -11.043  -5.967
  441    HD1  TRP  56           HD1      TRP  56  -1.497 -13.700  -5.526
  442    HE1  TRP  56           HE1      TRP  56  -3.125 -15.675  -5.266
  443    HE3  TRP  56           HE3      TRP  56  -5.766 -11.097  -4.463
  444    HZ2  TRP  56           HZ2      TRP  56  -5.859 -16.077  -4.689
  445    HZ3  TRP  56           HZ3      TRP  56  -7.846 -12.352  -4.072
  446    HH2  TRP  56           HH2      TRP  56  -7.890 -14.791  -4.184
  447    H    ARG  57           H        ARG  57  -1.556 -12.584  -2.274
  448    HA   ARG  57           HA       ARG  57   1.313 -12.753  -2.677
  449   1HB   ARG  57          2HB       ARG  57   0.260 -12.935  -0.413
  450   2HB   ARG  57          1HB       ARG  57  -0.477 -14.445  -0.924
  451   1HG   ARG  57          2HG       ARG  57   1.866 -15.282  -1.376
  452   2HG   ARG  57          1HG       ARG  57   2.436 -13.848  -0.520
  453   1HD   ARG  57          2HD       ARG  57   0.573 -14.795   1.214
  454   2HD   ARG  57          1HD       ARG  57   1.177 -16.294   0.512
  455    HE   ARG  57           HE       ARG  57   3.268 -14.517   1.339
  456   1HH1  ARG  57          2HH1      ARG  57   1.046 -16.983   2.415
  457   2HH1  ARG  57          1HH1      ARG  57   2.029 -17.459   3.759
  458   1HH2  ARG  57          1HH2      ARG  57   4.564 -15.143   3.105
  459   2HH2  ARG  57          2HH2      ARG  57   4.028 -16.418   4.148
  460    H    ARG  58           H        ARG  58   2.390 -14.638  -3.393
  461    HA   ARG  58           HA       ARG  58   0.843 -16.160  -5.336
  462   1HB   ARG  58          2HB       ARG  58   3.736 -15.612  -4.884
  463   2HB   ARG  58          1HB       ARG  58   3.286 -17.033  -5.810
  464   1HG   ARG  58          2HG       ARG  58   2.087 -14.407  -6.538
  465   2HG   ARG  58          1HG       ARG  58   3.757 -14.746  -6.995
  466   1HD   ARG  58          2HD       ARG  58   2.741 -15.592  -8.831
  467   2HD   ARG  58          1HD       ARG  58   2.645 -17.024  -7.805
  468    HE   ARG  58           HE       ARG  58   0.345 -15.767  -7.232
  469   1HH1  ARG  58          2HH1      ARG  58   1.851 -16.582 -10.275
  470   2HH1  ARG  58          1HH1      ARG  58   0.347 -16.730 -11.121
  471   1HH2  ARG  58          1HH2      ARG  58  -1.630 -15.960  -8.344
  472   2HH2  ARG  58          2HH2      ARG  58  -1.629 -16.375 -10.025
  473    H    ALA  59           H        ALA  59   0.346 -16.806  -2.609
  474    HA   ALA  59           HA       ALA  59   0.312 -18.540  -1.116
  475   1HB   ALA  59          1HB       ALA  59  -0.119 -20.725  -2.151
  476   2HB   ALA  59          2HB       ALA  59   0.391 -20.076  -3.709
  477   3HB   ALA  59          3HB       ALA  59  -1.048 -19.434  -2.916
  478    H    GLY  60           H        GLY  60   2.539 -17.895  -0.432
  479   1HA   GLY  60          2HA       GLY  60   4.157 -19.769   0.415
  480   2HA   GLY  60          1HA       GLY  60   4.624 -19.774  -1.279
  481    H    GLY  61           H        GLY  61   4.626 -17.110  -1.909
  482   1HA   GLY  61          2HA       GLY  61   5.678 -15.249  -0.222
  483   2HA   GLY  61          1HA       GLY  61   7.057 -16.261  -0.621
  484    H    ARG  62           H        ARG  62   4.644 -14.059  -1.896
  485    HA   ARG  62           HA       ARG  62   6.316 -12.727  -3.626
  486   1HB   ARG  62          2HB       ARG  62   5.785 -15.264  -4.677
  487   2HB   ARG  62          1HB       ARG  62   4.743 -14.171  -5.574
  488   1HG   ARG  62          2HG       ARG  62   7.064 -12.793  -5.618
  489   2HG   ARG  62          1HG       ARG  62   7.659 -14.455  -5.613
  490   1HD   ARG  62          2HD       ARG  62   5.433 -13.781  -7.459
  491   2HD   ARG  62          1HD       ARG  62   7.039 -13.175  -7.858
  492    HE   ARG  62           HE       ARG  62   7.472 -15.797  -7.336
  493   1HH1  ARG  62          2HH1      ARG  62   5.257 -14.108  -9.439
  494   2HH1  ARG  62          1HH1      ARG  62   5.199 -15.383 -10.609
  495   1HH2  ARG  62          1HH2      ARG  62   7.399 -17.475  -8.876
  496   2HH2  ARG  62          2HH2      ARG  62   6.415 -17.294 -10.291
  497    H    LEU  63           H        LEU  63   5.165 -10.988  -3.003
  498    HA   LEU  63           HA       LEU  63   2.295 -10.856  -3.360
  499   1HB   LEU  63          2HB       LEU  63   4.380  -9.001  -2.263
  500   2HB   LEU  63          1HB       LEU  63   2.791  -8.389  -2.673
  501    HG   LEU  63           HG       LEU  63   2.939  -8.902  -0.298
  502   1HD1  LEU  63          1HD1      LEU  63   0.898  -9.992  -0.097
  503   2HD1  LEU  63          2HD1      LEU  63   1.203 -11.029  -1.490
  504   3HD1  LEU  63          3HD1      LEU  63   0.839  -9.319  -1.726
  505   1HD2  LEU  63          1HD2      LEU  63   4.561 -10.942  -0.987
  506   2HD2  LEU  63          2HD2      LEU  63   3.054 -11.814  -0.709
  507   3HD2  LEU  63          3HD2      LEU  63   3.744 -10.818   0.571
  508    H    HIS  64           H        HIS  64   1.224  -9.479  -4.808
  509    HA   HIS  64           HA       HIS  64   2.751  -7.927  -6.695
  510   1HB   HIS  64          2HB       HIS  64   1.987  -9.088  -8.691
  511   2HB   HIS  64          1HB       HIS  64   2.894 -10.191  -7.661
  512    HD1  HIS  64           HD1      HIS  64  -0.480  -9.598  -9.096
  513    HD2  HIS  64           HD2      HIS  64   1.353 -12.242  -6.466
  514    HE1  HIS  64           HE1      HIS  64  -2.104 -11.495  -8.810
  515    HE2  HIS  64           HE2      HIS  64  -0.912 -13.146  -7.329
  516    H    LEU  65           H        LEU  65   1.621  -6.098  -6.359
  517    HA   LEU  65           HA       LEU  65  -1.181  -6.037  -5.950
  518   1HB   LEU  65          2HB       LEU  65   0.718  -3.830  -6.730
  519   2HB   LEU  65          1HB       LEU  65  -0.949  -3.583  -6.243
  520    HG   LEU  65           HG       LEU  65  -0.209  -4.844  -4.075
  521   1HD1  LEU  65          1HD1      LEU  65   2.250  -3.943  -3.684
  522   2HD1  LEU  65          2HD1      LEU  65   2.345  -4.184  -5.428
  523   3HD1  LEU  65          3HD1      LEU  65   1.938  -5.535  -4.373
  524   1HD2  LEU  65          1HD2      LEU  65  -0.683  -2.812  -3.326
  525   2HD2  LEU  65          2HD2      LEU  65  -0.261  -2.090  -4.878
  526   3HD2  LEU  65          3HD2      LEU  65   0.984  -2.341  -3.654
  527    H    ASN  66           H        ASN  66   0.860  -5.983  -8.688
  528    HA   ASN  66           HA       ASN  66  -1.465  -5.837 -10.464
  529   1HB   ASN  66          2HB       ASN  66   0.558  -3.883 -10.296
  530   2HB   ASN  66          1HB       ASN  66   0.886  -4.789 -11.769
  531   1HD2  ASN  66          1HD2      ASN  66  -0.482  -4.619 -13.487
  532   2HD2  ASN  66          2HD2      ASN  66  -1.800  -3.503 -13.549
  533    H    GLU  67           H        GLU  67  -0.799  -6.627 -12.739
  534    HA   GLU  67           HA       GLU  67   0.336  -9.245 -12.396
  535   1HB   GLU  67          2HB       GLU  67  -1.298  -7.868 -14.367
  536   2HB   GLU  67          1HB       GLU  67  -0.062  -8.866 -15.121
  537   1HG   GLU  67          2HG       GLU  67  -1.574 -10.117 -12.923
  538   2HG   GLU  67          1HG       GLU  67  -2.479  -9.770 -14.396
  539    H    ALA  68           H        ALA  68   2.082  -6.737 -12.247
  540    HA   ALA  68           HA       ALA  68   4.235  -7.844 -13.847
  541   1HB   ALA  68          1HB       ALA  68   4.635  -6.041 -15.196
  542   2HB   ALA  68          2HB       ALA  68   3.852  -4.904 -14.098
  543   3HB   ALA  68          3HB       ALA  68   2.876  -5.977 -15.099
  544    H    VAL  69           H        VAL  69   3.383  -7.130 -10.909
  545    HA   VAL  69           HA       VAL  69   6.047  -6.110 -10.200
  546    HB   VAL  69           HB       VAL  69   5.145  -4.643  -8.485
  547   1HG1  VAL  69          1HG1      VAL  69   5.057  -4.199 -11.223
  548   2HG1  VAL  69          2HG1      VAL  69   5.020  -2.976  -9.954
  549   3HG1  VAL  69          3HG1      VAL  69   3.511  -3.590 -10.630
  550   1HG2  VAL  69          1HG2      VAL  69   2.424  -4.408  -9.200
  551   2HG2  VAL  69          2HG2      VAL  69   3.103  -4.966  -7.671
  552   3HG2  VAL  69          3HG2      VAL  69   2.748  -6.125  -8.951
  553    H    SER  70           H        SER  70   6.033  -8.605  -9.958
  554    HA   SER  70           HA       SER  70   4.803  -9.521  -7.489
  555   1HB   SER  70          2HB       SER  70   6.598 -11.043  -9.392
  556   2HB   SER  70          1HB       SER  70   5.586 -11.728  -8.119
  557    HG   SER  70           HG       SER  70   3.768 -11.091  -9.261
  558    H    PHE  71           H        PHE  71   5.836  -9.893  -5.595
  559    HA   PHE  71           HA       PHE  71   8.724 -10.017  -5.453
  560   1HB   PHE  71          2HB       PHE  71   7.304  -7.553  -4.919
  561   2HB   PHE  71          1HB       PHE  71   8.173  -8.109  -3.490
  562    HD1  PHE  71           HD1      PHE  71  10.625  -8.546  -3.648
  563    HD2  PHE  71           HD2      PHE  71   8.446  -6.628  -6.757
  564    HE1  PHE  71           HE1      PHE  71  12.731  -7.690  -4.589
  565    HE2  PHE  71           HE2      PHE  71  10.546  -5.767  -7.705
  566    HZ   PHE  71           HZ       PHE  71  12.694  -6.298  -6.621
  567    H    LEU  72           H        LEU  72   9.195 -11.529  -4.162
  568    HA   LEU  72           HA       LEU  72   7.997 -13.322  -2.788
  569   1HB   LEU  72          2HB       LEU  72   9.768 -13.133  -0.958
  570   2HB   LEU  72          1HB       LEU  72  10.307 -13.320  -2.619
  571    HG   LEU  72           HG       LEU  72  10.313 -10.651  -2.507
  572   1HD1  LEU  72          1HD1      LEU  72  11.520 -10.697   0.045
  573   2HD1  LEU  72          2HD1      LEU  72   9.942 -11.462   0.216
  574   3HD1  LEU  72          3HD1      LEU  72  10.064  -9.838  -0.453
  575   1HD2  LEU  72          1HD2      LEU  72  12.216 -11.938  -3.169
  576   2HD2  LEU  72          2HD2      LEU  72  12.465 -12.521  -1.524
  577   3HD2  LEU  72          3HD2      LEU  72  12.730 -10.820  -1.905
  578    H    SER  73           H        SER  73   8.360 -10.103  -1.276
  579    HA   SER  73           HA       SER  73   6.013 -10.672   0.346
  580   1HB   SER  73          2HB       SER  73   7.979 -11.463   1.666
  581   2HB   SER  73          1HB       SER  73   8.602  -9.814   1.644
  582    HG   SER  73           HG       SER  73   6.976 -10.806   3.392
  583    H    LEU  74           H        LEU  74   5.909  -8.617   2.020
  584    HA   LEU  74           HA       LEU  74   5.186  -6.449   0.367
  585   1HB   LEU  74          2HB       LEU  74   5.327  -6.887   3.299
  586   2HB   LEU  74          1HB       LEU  74   5.118  -5.255   2.688
  587    HG   LEU  74           HG       LEU  74   3.293  -7.601   2.192
  588   1HD1  LEU  74          1HD1      LEU  74   3.302  -6.430   4.433
  589   2HD1  LEU  74          2HD1      LEU  74   1.761  -6.490   3.580
  590   3HD1  LEU  74          3HD1      LEU  74   2.716  -5.009   3.576
  591   1HD2  LEU  74          1HD2      LEU  74   3.256  -4.784   1.106
  592   2HD2  LEU  74          2HD2      LEU  74   1.868  -5.871   1.063
  593   3HD2  LEU  74          3HD2      LEU  74   3.338  -6.288   0.188
  594    HA   PRO  75           HA       PRO  75   8.943  -4.115   2.701
  595   1HB   PRO  75          2HB       PRO  75  10.932  -6.166   2.887
  596   2HB   PRO  75          1HB       PRO  75  10.197  -5.248   4.201
  597   1HG   PRO  75          2HG       PRO  75   9.544  -7.950   3.193
  598   2HG   PRO  75          1HG       PRO  75   9.299  -7.258   4.806
  599   1HD   PRO  75          2HD       PRO  75   7.248  -7.694   3.132
  600   2HD   PRO  75          1HD       PRO  75   7.276  -6.288   4.217
  601    H    GLU  76           H        GLU  76   9.282  -6.888   0.555
  602    HA   GLU  76           HA       GLU  76  11.195  -5.442  -1.100
  603   1HB   GLU  76          2HB       GLU  76  10.095  -8.214  -1.554
  604   2HB   GLU  76          1HB       GLU  76  11.531  -7.501  -2.275
  605   1HG   GLU  76          2HG       GLU  76  11.131  -8.344   0.578
  606   2HG   GLU  76          1HG       GLU  76  12.251  -9.015  -0.606
  607    H    LEU  77           H        LEU  77   7.834  -6.393  -1.015
  608    HA   LEU  77           HA       LEU  77   7.303  -5.978  -3.780
  609   1HB   LEU  77          2HB       LEU  77   5.679  -7.243  -2.702
  610   2HB   LEU  77          1HB       LEU  77   5.641  -6.189  -1.308
  611    HG   LEU  77           HG       LEU  77   3.606  -6.223  -2.876
  612   1HD1  LEU  77          1HD1      LEU  77   4.720  -4.263  -1.227
  613   2HD1  LEU  77          2HD1      LEU  77   3.044  -4.392  -1.761
  614   3HD1  LEU  77          3HD1      LEU  77   4.190  -3.414  -2.679
  615   1HD2  LEU  77          1HD2      LEU  77   4.430  -4.081  -4.515
  616   2HD2  LEU  77          2HD2      LEU  77   3.921  -5.696  -5.006
  617   3HD2  LEU  77          3HD2      LEU  77   5.625  -5.363  -4.709
  618    H    VAL  78           H        VAL  78   7.131  -3.938  -0.901
  619    HA   VAL  78           HA       VAL  78   6.171  -1.650  -2.329
  620    HB   VAL  78           HB       VAL  78   7.340  -1.948   0.442
  621   1HG1  VAL  78          1HG1      VAL  78   7.559   0.257   0.639
  622   2HG1  VAL  78          2HG1      VAL  78   5.899   0.497   0.104
  623   3HG1  VAL  78          3HG1      VAL  78   7.200   0.428  -1.078
  624   1HG2  VAL  78          1HG2      VAL  78   5.248  -2.811   0.664
  625   2HG2  VAL  78          2HG2      VAL  78   4.614  -1.920  -0.719
  626   3HG2  VAL  78          3HG2      VAL  78   4.837  -1.104   0.828
  627    H    ASN  79           H        ASN  79   9.290  -2.930  -1.344
  628    HA   ASN  79           HA       ASN  79  10.971  -0.784  -1.693
  629   1HB   ASN  79          2HB       ASN  79  11.706  -3.033  -0.962
  630   2HB   ASN  79          1HB       ASN  79  11.496  -3.623  -2.607
  631   1HD2  ASN  79          1HD2      ASN  79  13.603  -4.163  -2.949
  632   2HD2  ASN  79          2HD2      ASN  79  14.878  -3.003  -3.057
  633    H    TYR  80           H        TYR  80   9.769  -3.004  -4.190
  634    HA   TYR  80           HA       TYR  80  11.022  -1.651  -6.357
  635   1HB   TYR  80          2HB       TYR  80  10.354  -3.977  -6.584
  636   2HB   TYR  80          1HB       TYR  80   8.671  -3.559  -6.288
  637    HD1  TYR  80           HD1      TYR  80  11.292  -3.832  -8.751
  638    HD2  TYR  80           HD2      TYR  80   7.434  -2.202  -8.002
  639    HE1  TYR  80           HE1      TYR  80  10.952  -3.544 -11.169
  640    HE2  TYR  80           HE2      TYR  80   7.082  -1.910 -10.418
  641    HH   TYR  80           HH       TYR  80   8.980  -3.375 -12.743
  642    H    HIS  81           H        HIS  81   7.928  -1.436  -4.734
  643    HA   HIS  81           HA       HIS  81   6.616   0.258  -6.572
  644   1HB   HIS  81          2HB       HIS  81   6.247  -0.463  -3.698
  645   2HB   HIS  81          1HB       HIS  81   5.406   0.953  -4.305
  646    HD1  HIS  81           HD1      HIS  81   5.822  -1.964  -6.569
  647    HD2  HIS  81           HD2      HIS  81   2.942  -0.389  -4.021
  648    HE1  HIS  81           HE1      HIS  81   3.695  -3.178  -7.131
  649    HE2  HIS  81           HE2      HIS  81   1.946  -2.143  -5.642
  650    H    ARG  82           H        ARG  82   8.953   0.808  -4.040
  651    HA   ARG  82           HA       ARG  82   8.571   3.649  -4.022
  652   1HB   ARG  82          2HB       ARG  82   9.219   2.728  -1.933
  653   2HB   ARG  82          1HB       ARG  82  10.535   1.826  -2.667
  654   1HG   ARG  82          2HG       ARG  82  11.565   4.098  -3.214
  655   2HG   ARG  82          1HG       ARG  82  10.383   4.767  -2.090
  656   1HD   ARG  82          2HD       ARG  82  11.866   4.333  -0.482
  657   2HD   ARG  82          1HD       ARG  82  11.461   2.632  -0.708
  658    HE   ARG  82           HE       ARG  82  13.424   3.347  -2.577
  659   1HH1  ARG  82          2HH1      ARG  82  13.060   2.911   0.867
  660   2HH1  ARG  82          1HH1      ARG  82  14.716   2.471   1.114
  661   1HH2  ARG  82          1HH2      ARG  82  15.604   2.765  -2.255
  662   2HH2  ARG  82          2HH2      ARG  82  16.159   2.385  -0.659
  663    H    ALA  83           H        ALA  83  10.769   1.399  -5.427
  664    HA   ALA  83           HA       ALA  83  12.564   3.406  -6.402
  665   1HB   ALA  83          1HB       ALA  83  12.866   1.123  -7.992
  666   2HB   ALA  83          2HB       ALA  83  12.435   0.523  -6.391
  667   3HB   ALA  83          3HB       ALA  83  13.833   1.580  -6.590
  668    H    GLN  84           H        GLN  84  10.467   1.127  -8.099
  669    HA   GLN  84           HA       GLN  84  10.159   3.054 -10.279
  670   1HB   GLN  84          2HB       GLN  84  10.039   0.100 -10.077
  671   2HB   GLN  84          1HB       GLN  84   8.949   0.850 -11.235
  672   1HG   GLN  84          2HG       GLN  84  11.674   1.875 -11.376
  673   2HG   GLN  84          1HG       GLN  84  11.549   0.147 -11.703
  674   1HE2  GLN  84          1HE2      GLN  84  11.021  -0.446 -13.684
  675   2HE2  GLN  84          2HE2      GLN  84  10.331   0.573 -14.897
  676    H    SER  85           H        SER  85   8.258   3.976 -10.817
  677    HA   SER  85           HA       SER  85   5.967   3.438  -9.063
  678   1HB   SER  85          2HB       SER  85   5.313   5.548 -10.799
  679   2HB   SER  85          1HB       SER  85   5.782   5.673  -9.105
  680    HG   SER  85           HG       SER  85   7.981   5.763  -9.855
  681    H    LEU  86           H        LEU  86   6.806   1.621 -11.189
  682    HA   LEU  86           HA       LEU  86   5.821   1.467 -13.581
  683   1HB   LEU  86          2HB       LEU  86   6.650  -0.486 -12.432
  684   2HB   LEU  86          1HB       LEU  86   5.203  -0.570 -11.448
  685    HG   LEU  86           HG       LEU  86   4.484  -0.642 -14.235
  686   1HD1  LEU  86          1HD1      LEU  86   6.426  -1.625 -14.941
  687   2HD1  LEU  86          2HD1      LEU  86   5.510  -3.049 -14.444
  688   3HD1  LEU  86          3HD1      LEU  86   6.745  -2.378 -13.378
  689   1HD2  LEU  86          1HD2      LEU  86   2.955  -2.057 -13.434
  690   2HD2  LEU  86          2HD2      LEU  86   3.599  -1.675 -11.838
  691   3HD2  LEU  86          3HD2      LEU  86   4.178  -3.097 -12.705
  692    H    SER  87           H        SER  87   3.442   0.201 -11.282
  693    HA   SER  87           HA       SER  87   1.397   1.884 -12.550
  694   1HB   SER  87          2HB       SER  87   1.408  -1.111 -12.279
  695   2HB   SER  87          1HB       SER  87  -0.113  -0.221 -12.342
  696    HG   SER  87           HG       SER  87   0.247   0.293 -14.386
  697    H    HIS  88           H        HIS  88   2.587   2.431 -10.109
  698    HA   HIS  88           HA       HIS  88   0.350   1.886  -8.278
  699   1HB   HIS  88          2HB       HIS  88   2.255   0.517  -7.585
  700   2HB   HIS  88          1HB       HIS  88   3.284   1.945  -7.547
  701    HD1  HIS  88           HD1      HIS  88   1.091  -0.062  -5.465
  702    HD2  HIS  88           HD2      HIS  88   2.446   3.865  -5.493
  703    HE1  HIS  88           HE1      HIS  88   0.635   0.826  -3.156
  704    HE2  HIS  88           HE2      HIS  88   1.369   3.229  -3.235
  705    H    GLY  89           H        GLY  89  -0.102   3.513  -6.737
  706   1HA   GLY  89          2HA       GLY  89  -0.012   6.115  -7.735
  707   2HA   GLY  89          1HA       GLY  89  -0.415   5.686  -6.081
  708    H    LEU  90           H        LEU  90   2.150   6.588  -8.271
  709    HA   LEU  90           HA       LEU  90   4.139   7.645  -7.945
  710   1HB   LEU  90          2HB       LEU  90   3.149   8.054  -5.122
  711   2HB   LEU  90          1HB       LEU  90   4.526   8.856  -5.846
  712    HG   LEU  90           HG       LEU  90   1.620   9.352  -6.251
  713   1HD1  LEU  90          1HD1      LEU  90   2.352  11.033  -4.962
  714   2HD1  LEU  90          2HD1      LEU  90   2.926  11.707  -6.487
  715   3HD1  LEU  90          3HD1      LEU  90   4.034  10.813  -5.447
  716   1HD2  LEU  90          1HD2      LEU  90   2.392   8.860  -8.510
  717   2HD2  LEU  90          2HD2      LEU  90   3.732   9.989  -8.307
  718   3HD2  LEU  90          3HD2      LEU  90   2.072  10.583  -8.318
  719    H    ARG  91           H        ARG  91   6.106   7.645  -6.330
  720    HA   ARG  91           HA       ARG  91   6.751   4.850  -5.912
  721   1HB   ARG  91          2HB       ARG  91   8.385   7.384  -5.773
  722   2HB   ARG  91          1HB       ARG  91   9.036   5.800  -5.393
  723   1HG   ARG  91          2HG       ARG  91   8.753   5.046  -7.616
  724   2HG   ARG  91          1HG       ARG  91   7.762   6.447  -8.032
  725   1HD   ARG  91          2HD       ARG  91  10.345   7.242  -7.001
  726   2HD   ARG  91          1HD       ARG  91  10.511   6.169  -8.388
  727    HE   ARG  91           HE       ARG  91   9.289   8.821  -8.362
  728   1HH1  ARG  91          2HH1      ARG  91  10.119   5.943 -10.167
  729   2HH1  ARG  91          1HH1      ARG  91   9.919   6.707 -11.707
  730   1HH2  ARG  91          1HH2      ARG  91   9.028   9.816 -10.387
  731   2HH2  ARG  91          2HH2      ARG  91   9.301   8.902 -11.832
  732    H    LEU  92           H        LEU  92   6.127   3.974  -4.054
  733    HA   LEU  92           HA       LEU  92   5.275   5.107  -1.749
  734   1HB   LEU  92          2HB       LEU  92   6.901   2.597  -1.929
  735   2HB   LEU  92          1HB       LEU  92   5.838   3.049  -0.605
  736    HG   LEU  92           HG       LEU  92   5.011   2.514  -3.442
  737   1HD1  LEU  92          1HD1      LEU  92   3.834   0.598  -2.544
  738   2HD1  LEU  92          2HD1      LEU  92   4.381   0.996  -0.918
  739   3HD1  LEU  92          3HD1      LEU  92   5.546   0.494  -2.142
  740   1HD2  LEU  92          1HD2      LEU  92   2.758   2.624  -1.820
  741   2HD2  LEU  92          2HD2      LEU  92   3.259   3.795  -3.039
  742   3HD2  LEU  92          3HD2      LEU  92   3.734   4.018  -1.358
  743    H    ALA  93           H        ALA  93   6.199   6.806  -0.881
  744    HA   ALA  93           HA       ALA  93   9.049   6.657  -0.136
  745   1HB   ALA  93          1HB       ALA  93   8.449   8.485  -1.649
  746   2HB   ALA  93          2HB       ALA  93   9.057   9.077  -0.103
  747   3HB   ALA  93          3HB       ALA  93   7.327   9.108  -0.440
  748    H    ALA  94           H        ALA  94   6.257   8.482   1.167
  749    HA   ALA  94           HA       ALA  94   7.317   8.075   3.852
  750   1HB   ALA  94          1HB       ALA  94   4.836   9.624   3.500
  751   2HB   ALA  94          2HB       ALA  94   6.270  10.264   2.699
  752   3HB   ALA  94          3HB       ALA  94   6.283   9.988   4.441
  753    HA   PRO  95           HA       PRO  95   4.011   5.362   5.089
  754   1HB   PRO  95          2HB       PRO  95   3.951   5.787   7.716
  755   2HB   PRO  95          1HB       PRO  95   5.425   5.213   6.932
  756   1HG   PRO  95          2HG       PRO  95   4.790   7.892   8.019
  757   2HG   PRO  95          1HG       PRO  95   6.361   7.099   7.831
  758   1HD   PRO  95          2HD       PRO  95   5.129   9.025   6.090
  759   2HD   PRO  95          1HD       PRO  95   6.699   8.222   5.893
  760    H    CYS  96           H        CYS  96   1.910   5.125   6.168
  761    HA   CYS  96           HA       CYS  96   0.169   7.346   5.578
  762   1HB   CYS  96          2HB       CYS  96  -0.251   4.774   5.265
  763   2HB   CYS  96          1HB       CYS  96  -0.749   4.845   6.952
  764    HG   CYS  96           HG       CYS  96  -2.828   5.188   5.406
  765    H    ARG  97           H        ARG  97  -1.339   8.270   7.102
  766    HA   ARG  97           HA       ARG  97  -0.747   7.896   9.933
  767   1HB   ARG  97          2HB       ARG  97  -0.009  10.278   8.361
  768   2HB   ARG  97          1HB       ARG  97  -0.856  10.618   9.864
  769   1HG   ARG  97          2HG       ARG  97   0.870   9.018  10.927
  770   2HG   ARG  97          1HG       ARG  97   1.792   9.297   9.448
  771   1HD   ARG  97          2HD       ARG  97   2.339  10.812  11.390
  772   2HD   ARG  97          1HD       ARG  97   1.950  11.617   9.872
  773    HE   ARG  97           HE       ARG  97   0.167  12.584  10.909
  774   1HH1  ARG  97          2HH1      ARG  97   1.108   9.773  12.750
  775   2HH1  ARG  97          1HH1      ARG  97  -0.021  10.077  14.027
  776   1HH2  ARG  97          1HH2      ARG  97  -1.317  12.987  12.590
  777   2HH2  ARG  97          2HH2      ARG  97  -1.396  11.902  13.937
  778    H    LYS  98           H        LYS  98  -2.490   8.176  11.228
  779    HA   LYS  98           HA       LYS  98  -4.931   9.269   9.984
  780   1HB   LYS  98          2HB       LYS  98  -6.222   7.692  11.389
  781   2HB   LYS  98          1HB       LYS  98  -5.173   6.872  10.245
  782   1HG   LYS  98          2HG       LYS  98  -3.532   6.936  12.352
  783   2HG   LYS  98          1HG       LYS  98  -5.084   6.938  13.192
  784   1HD   LYS  98          2HD       LYS  98  -4.195   4.933  11.119
  785   2HD   LYS  98          1HD       LYS  98  -4.257   4.660  12.861
  786   1HE   LYS  98          2HE       LYS  98  -6.697   5.512  11.343
  787   2HE   LYS  98          1HE       LYS  98  -6.209   3.819  11.393
  788   1HZ   LYS  98          1HZ       LYS  98  -7.276   5.509  13.517
  789   2HZ   LYS  98          2HZ       LYS  98  -6.104   4.374  13.963
  790   3HZ   LYS  98          3HZ       LYS  98  -7.530   3.864  13.211
  791    H    HIS  99           H        HIS  99  -6.623   9.604  11.928
  792    HA   HIS  99           HA       HIS  99  -5.288  11.481  13.741
  793   1HB   HIS  99          2HB       HIS  99  -8.123  11.240  12.749
  794   2HB   HIS  99          1HB       HIS  99  -7.712  12.251  14.130
  795    HD1  HIS  99           HD1      HIS  99  -8.745  13.115  11.166
  796    HD2  HIS  99           HD2      HIS  99  -4.931  13.526  12.765
  797    HE1  HIS  99           HE1      HIS  99  -7.667  14.977   9.865
  798    HE2  HIS  99           HE2      HIS  99  -5.395  15.271  10.914
  799    H    GLU 100           HN       GLU 100  -5.244   8.624  14.210
  800    HA   GLU 100           HA       GLU 100  -6.681   8.565  16.779
  801   1HB   GLU 100          2HB       GLU 100  -7.682   7.072  14.992
  802   2HB   GLU 100          1HB       GLU 100  -6.193   6.140  15.052
  803   1HG   GLU 100          2HG       GLU 100  -7.253   6.518  17.697
  804   2HG   GLU 100          1HG       GLU 100  -8.469   5.818  16.629
  Start of MODEL    4
    1   1H    SER   1          1H        SER   1   9.021   1.736   9.597
    2   2H    SER   1          2H        SER   1   8.219   1.702   8.080
    3   3H    SER   1          3H        SER   1   7.731   2.821   9.286
    4    HA   SER   1           HA       SER   1   9.662   4.049   9.094
    5   1HB   SER   1          2HB       SER   1  10.621   1.536   7.850
    6   2HB   SER   1          1HB       SER   1  11.273   3.028   7.170
    7    HG   SER   1           HG       SER   1  12.569   2.341   8.878
    8    H    GLU   2           H        GLU   2   9.322   2.310   6.012
    9    HA   GLU   2           HA       GLU   2   8.714   4.803   4.670
   10   1HB   GLU   2          2HB       GLU   2   8.593   2.226   3.195
   11   2HB   GLU   2          1HB       GLU   2   9.288   3.766   2.714
   12   1HG   GLU   2          2HG       GLU   2  10.944   3.043   4.742
   13   2HG   GLU   2          1HG       GLU   2  10.521   1.476   4.054
   14    HA   PRO   3           HA       PRO   3   4.514   2.665   4.053
   15   1HB   PRO   3          2HB       PRO   3   4.189   0.073   4.686
   16   2HB   PRO   3          1HB       PRO   3   5.086   0.532   3.247
   17   1HG   PRO   3          2HG       PRO   3   6.069  -0.532   5.817
   18   2HG   PRO   3          1HG       PRO   3   6.787  -0.650   4.203
   19   1HD   PRO   3          2HD       PRO   3   7.453   1.184   6.303
   20   2HD   PRO   3          1HD       PRO   3   8.150   1.091   4.675
   21    H    TRP   4           H        TRP   4   2.921   0.910   5.540
   22    HA   TRP   4           HA       TRP   4   3.240   1.401   8.356
   23   1HB   TRP   4          2HB       TRP   4   2.025   3.437   7.139
   24   2HB   TRP   4          1HB       TRP   4   0.632   2.372   7.292
   25    HD1  TRP   4           HD1      TRP   4  -0.570   2.353   9.582
   26    HE1  TRP   4           HE1      TRP   4  -0.100   3.392  11.890
   27    HE3  TRP   4           HE3      TRP   4   4.159   4.101   8.740
   28    HZ2  TRP   4           HZ2      TRP   4   1.996   4.770  13.182
   29    HZ3  TRP   4           HZ3      TRP   4   5.327   5.268  10.564
   30    HH2  TRP   4           HH2      TRP   4   4.267   5.595  12.737
   31    H    PHE   5           H        PHE   5   3.377  -0.951   7.874
   32    HA   PHE   5           HA       PHE   5   1.255  -2.484   6.944
   33   1HB   PHE   5          2HB       PHE   5   3.427  -3.124   8.938
   34   2HB   PHE   5          1HB       PHE   5   2.291  -4.327   8.338
   35    HD1  PHE   5           HD1      PHE   5   2.541  -5.291   6.194
   36    HD2  PHE   5           HD2      PHE   5   5.013  -2.036   7.376
   37    HE1  PHE   5           HE1      PHE   5   3.986  -5.684   4.242
   38    HE2  PHE   5           HE2      PHE   5   6.464  -2.424   5.427
   39    HZ   PHE   5           HZ       PHE   5   5.949  -4.248   3.855
   40    H    PHE   6           H        PHE   6  -0.777  -2.411   7.668
   41    HA   PHE   6           HA       PHE   6  -1.185  -2.354  10.589
   42   1HB   PHE   6          2HB       PHE   6  -2.092  -0.498   8.805
   43   2HB   PHE   6          1HB       PHE   6  -3.462  -1.599   8.878
   44    HD1  PHE   6           HD1      PHE   6  -1.167   0.372  11.028
   45    HD2  PHE   6           HD2      PHE   6  -4.985  -1.462  10.629
   46    HE1  PHE   6           HE1      PHE   6  -1.884   1.413  13.140
   47    HE2  PHE   6           HE2      PHE   6  -5.710  -0.424  12.737
   48    HZ   PHE   6           HZ       PHE   6  -4.158   1.016  13.996
   49    H    GLY   7           H        GLY   7  -3.189  -3.478  11.321
   50   1HA   GLY   7          2HA       GLY   7  -3.836  -5.757   9.561
   51   2HA   GLY   7          1HA       GLY   7  -3.413  -6.006  11.247
   52    H    CYS   8           H        CYS   8  -5.393  -3.310  10.148
   53    HA   CYS   8           HA       CYS   8  -7.894  -4.523  10.479
   54   1HB   CYS   8          2HB       CYS   8  -6.551  -3.867  12.948
   55   2HB   CYS   8          1HB       CYS   8  -8.041  -2.943  12.798
   56    HG   CYS   8           HG       CYS   8  -9.387  -5.017  13.044
   57    H    ILE   9           H        ILE   9  -6.552  -2.467   8.860
   58    HA   ILE   9           HA       ILE   9  -8.165  -0.101   9.500
   59    HB   ILE   9           HB       ILE   9  -6.908   0.907   7.504
   60   1HG1  ILE   9          2HG1      ILE   9  -5.131  -1.472   8.061
   61   2HG1  ILE   9          1HG1      ILE   9  -6.021  -1.162   6.575
   62   1HG2  ILE   9          1HG2      ILE   9  -5.985   1.976   9.205
   63   2HG2  ILE   9          2HG2      ILE   9  -4.725   0.744   9.235
   64   3HG2  ILE   9          3HG2      ILE   9  -6.154   0.569  10.254
   65   1HD1  ILE   9          1HD1      ILE   9  -4.409   1.100   7.189
   66   2HD1  ILE   9          2HD1      ILE   9  -4.353   0.029   5.790
   67   3HD1  ILE   9          3HD1      ILE   9  -3.421  -0.360   7.235
   68    H    SER  10           H        SER  10  -9.878   0.482   8.322
   69    HA   SER  10           HA       SER  10 -10.683  -1.306   6.153
   70   1HB   SER  10          2HB       SER  10 -12.172  -0.614   8.190
   71   2HB   SER  10          1HB       SER  10 -12.432   0.866   7.267
   72    HG   SER  10           HG       SER  10 -13.796  -0.205   6.105
   73    H    ARG  11           H        ARG  11 -11.944  -0.204   4.338
   74    HA   ARG  11           HA       ARG  11 -10.221   1.486   2.935
   75   1HB   ARG  11          2HB       ARG  11 -12.418  -0.005   2.292
   76   2HB   ARG  11          1HB       ARG  11 -13.048   1.629   2.142
   77   1HG   ARG  11          2HG       ARG  11 -11.505   2.186   0.463
   78   2HG   ARG  11          1HG       ARG  11 -10.494   0.783   0.814
   79   1HD   ARG  11          2HD       ARG  11 -11.583   0.051  -1.063
   80   2HD   ARG  11          1HD       ARG  11 -12.671  -0.543   0.190
   81    HE   ARG  11           HE       ARG  11 -13.689   1.889  -0.378
   82   1HH1  ARG  11          2HH1      ARG  11 -12.784  -0.821  -2.385
   83   2HH1  ARG  11          1HH1      ARG  11 -13.967  -0.475  -3.600
   84   1HH2  ARG  11          1HH2      ARG  11 -15.247   2.344  -1.975
   85   2HH2  ARG  11          2HH2      ARG  11 -15.368   1.319  -3.367
   86    H    SER  12           H        SER  12 -12.560   2.176   5.304
   87    HA   SER  12           HA       SER  12 -13.049   4.898   4.548
   88   1HB   SER  12          2HB       SER  12 -14.349   5.060   6.535
   89   2HB   SER  12          1HB       SER  12 -14.614   3.428   5.920
   90    HG   SER  12           HG       SER  12 -12.850   2.826   7.415
   91    H    GLU  13           H        GLU  13 -10.836   3.214   6.698
   92    HA   GLU  13           HA       GLU  13  -9.866   5.619   7.937
   93   1HB   GLU  13          2HB       GLU  13  -8.406   2.991   7.892
   94   2HB   GLU  13          1HB       GLU  13  -8.327   4.264   9.101
   95   1HG   GLU  13          2HG       GLU  13 -10.924   2.883   8.628
   96   2HG   GLU  13          1HG       GLU  13  -9.667   2.063   9.551
   97    H    ALA  14           H        ALA  14  -8.299   3.236   5.785
   98    HA   ALA  14           HA       ALA  14  -5.986   4.644   5.285
   99   1HB   ALA  14          1HB       ALA  14  -7.513   2.703   3.577
  100   2HB   ALA  14          2HB       ALA  14  -6.093   2.402   4.577
  101   3HB   ALA  14          3HB       ALA  14  -5.946   3.359   3.102
  102    H    VAL  15           H        VAL  15  -9.168   5.048   3.885
  103    HA   VAL  15           HA       VAL  15  -8.411   6.686   1.710
  104    HB   VAL  15           HB       VAL  15 -10.967   6.154   3.145
  105   1HG1  VAL  15          1HG1      VAL  15 -10.563   8.480   1.273
  106   2HG1  VAL  15          2HG1      VAL  15 -11.145   8.532   2.937
  107   3HG1  VAL  15          3HG1      VAL  15 -12.139   7.801   1.676
  108   1HG2  VAL  15          1HG2      VAL  15 -11.715   5.557   0.900
  109   2HG2  VAL  15          2HG2      VAL  15 -10.228   4.712   1.326
  110   3HG2  VAL  15          3HG2      VAL  15 -10.173   6.098   0.239
  111    H    ARG  16           H        ARG  16  -9.591   7.511   4.969
  112    HA   ARG  16           HA       ARG  16  -9.021  10.317   4.557
  113   1HB   ARG  16          2HB       ARG  16 -10.956   9.298   5.944
  114   2HB   ARG  16          1HB       ARG  16  -9.741   9.087   7.198
  115   1HG   ARG  16          2HG       ARG  16  -9.682  11.277   7.693
  116   2HG   ARG  16          1HG       ARG  16  -9.850  11.770   6.007
  117   1HD   ARG  16          2HD       ARG  16 -12.086  10.713   7.735
  118   2HD   ARG  16          1HD       ARG  16 -11.786  12.418   7.403
  119    HE   ARG  16           HE       ARG  16 -13.006  10.497   5.648
  120   1HH1  ARG  16          2HH1      ARG  16 -11.272  13.521   5.821
  121   2HH1  ARG  16          1HH1      ARG  16 -11.859  14.088   4.294
  122   1HH2  ARG  16          1HH2      ARG  16 -13.779  11.241   3.640
  123   2HH2  ARG  16          2HH2      ARG  16 -13.283  12.795   3.055
  124    H    ARG  17           H        ARG  17  -7.370   7.595   5.657
  125    HA   ARG  17           HA       ARG  17  -5.552   8.915   7.447
  126   1HB   ARG  17          2HB       ARG  17  -6.207   6.487   7.612
  127   2HB   ARG  17          1HB       ARG  17  -5.286   6.193   6.145
  128   1HG   ARG  17          2HG       ARG  17  -3.241   6.852   7.242
  129   2HG   ARG  17          1HG       ARG  17  -4.136   7.297   8.698
  130   1HD   ARG  17          2HD       ARG  17  -4.981   4.827   8.574
  131   2HD   ARG  17          1HD       ARG  17  -3.542   4.591   7.584
  132    HE   ARG  17           HE       ARG  17  -2.714   5.915   9.864
  133   1HH1  ARG  17          2HH1      ARG  17  -4.209   2.863   9.077
  134   2HH1  ARG  17          1HH1      ARG  17  -3.532   2.036  10.439
  135   1HH2  ARG  17          1HH2      ARG  17  -1.820   4.829  11.657
  136   2HH2  ARG  17          2HH2      ARG  17  -2.175   3.152  11.904
  137    H    LEU  18           H        LEU  18  -5.368   7.560   4.172
  138    HA   LEU  18           HA       LEU  18  -2.709   8.316   3.641
  139   1HB   LEU  18          2HB       LEU  18  -5.048   7.508   2.008
  140   2HB   LEU  18          1HB       LEU  18  -3.668   8.212   1.191
  141    HG   LEU  18           HG       LEU  18  -3.486   5.828   1.092
  142   1HD1  LEU  18          1HD1      LEU  18  -1.569   6.496   3.273
  143   2HD1  LEU  18          2HD1      LEU  18  -1.478   7.358   1.739
  144   3HD1  LEU  18          3HD1      LEU  18  -1.307   5.603   1.776
  145   1HD2  LEU  18          1HD2      LEU  18  -4.790   4.956   2.781
  146   2HD2  LEU  18          2HD2      LEU  18  -4.063   5.981   4.017
  147   3HD2  LEU  18          3HD2      LEU  18  -3.160   4.621   3.354
  148    H    GLN  19           H        GLN  19  -5.773   9.828   2.946
  149    HA   GLN  19           HA       GLN  19  -4.657  12.100   1.625
  150   1HB   GLN  19          2HB       GLN  19  -6.903  12.957   1.532
  151   2HB   GLN  19          1HB       GLN  19  -6.926  11.242   1.150
  152   1HG   GLN  19          2HG       GLN  19  -8.623  11.181   2.596
  153   2HG   GLN  19          1HG       GLN  19  -7.352  11.169   3.816
  154   1HE2  GLN  19          1HE2      GLN  19  -7.951  12.410   5.436
  155   2HE2  GLN  19          2HE2      GLN  19  -8.655  13.983   5.309
  156    H    ALA  20           H        ALA  20  -5.082  11.317   4.933
  157    HA   ALA  20           HA       ALA  20  -5.659  13.695   6.175
  158   1HB   ALA  20          1HB       ALA  20  -5.329  11.706   7.467
  159   2HB   ALA  20          2HB       ALA  20  -4.176  12.916   8.030
  160   3HB   ALA  20          3HB       ALA  20  -3.638  11.606   6.978
  161    H    GLU  21           H        GLU  21  -3.994  15.127   7.407
  162    HA   GLU  21           HA       GLU  21  -2.213  16.164   5.388
  163   1HB   GLU  21          2HB       GLU  21  -1.856  18.049   7.017
  164   2HB   GLU  21          1HB       GLU  21  -3.516  17.834   6.480
  165   1HG   GLU  21          2HG       GLU  21  -4.158  16.858   8.527
  166   2HG   GLU  21          1HG       GLU  21  -2.483  16.657   9.040
  167    H    GLY  22           H        GLY  22  -1.799  13.747   7.118
  168   1HA   GLY  22          2HA       GLY  22   0.830  14.371   8.252
  169   2HA   GLY  22          1HA       GLY  22  -0.081  12.891   8.527
  170    H    ASN  23           H        ASN  23  -0.522  13.304   5.392
  171    HA   ASN  23           HA       ASN  23   1.891  11.793   4.650
  172   1HB   ASN  23          2HB       ASN  23  -0.944  11.587   3.655
  173   2HB   ASN  23          1HB       ASN  23   0.417  10.780   2.885
  174   1HD2  ASN  23          1HD2      ASN  23   1.820  10.177   5.300
  175   2HD2  ASN  23          2HD2      ASN  23   0.934   8.953   6.121
  176    H    ALA  24           H        ALA  24   3.176  12.585   3.186
  177    HA   ALA  24           HA       ALA  24   2.202  14.821   1.567
  178   1HB   ALA  24          1HB       ALA  24   4.236  15.820   1.711
  179   2HB   ALA  24          2HB       ALA  24   5.106  14.287   1.713
  180   3HB   ALA  24          3HB       ALA  24   4.330  14.862   3.189
  181    H    THR  25           H        THR  25   1.219  12.919   0.406
  182    HA   THR  25           HA       THR  25   1.053  11.616  -1.403
  183    HB   THR  25           HB       THR  25   2.382  12.272  -3.386
  184    HG1  THR  25           HG1      THR  25   3.630  14.212  -1.772
  185   1HG2  THR  25          1HG2      THR  25   1.571  14.773  -1.961
  186   2HG2  THR  25          2HG2      THR  25   0.388  13.612  -2.562
  187   3HG2  THR  25          3HG2      THR  25   1.495  14.406  -3.684
  188    H    GLY  26           H        GLY  26   1.671   9.680  -2.206
  189   1HA   GLY  26          2HA       GLY  26   3.067   7.841  -2.590
  190   2HA   GLY  26          1HA       GLY  26   4.385   8.703  -1.801
  191    H    ALA  27           H        ALA  27   2.604   9.362   0.507
  192    HA   ALA  27           HA       ALA  27   3.336   7.540   2.358
  193   1HB   ALA  27          1HB       ALA  27   1.401   8.248   3.686
  194   2HB   ALA  27          2HB       ALA  27   0.674   8.952   2.242
  195   3HB   ALA  27          3HB       ALA  27   2.173   9.619   2.889
  196    H    PHE  28           H        PHE  28   3.146   5.343   2.346
  197    HA   PHE  28           HA       PHE  28   0.605   4.222   1.330
  198   1HB   PHE  28          2HB       PHE  28   2.072   2.201   0.772
  199   2HB   PHE  28          1HB       PHE  28   2.230   3.630  -0.237
  200    HD1  PHE  28           HD1      PHE  28   3.931   1.314   1.903
  201    HD2  PHE  28           HD2      PHE  28   4.170   5.172   0.159
  202    HE1  PHE  28           HE1      PHE  28   6.361   1.355   2.312
  203    HE2  PHE  28           HE2      PHE  28   6.583   5.218   0.566
  204    HZ   PHE  28           HZ       PHE  28   7.685   3.309   1.642
  205    H    LEU  29           H        LEU  29   0.167   2.046   2.157
  206    HA   LEU  29           HA       LEU  29   1.219   1.319   4.737
  207   1HB   LEU  29          2HB       LEU  29  -1.113   1.304   5.743
  208   2HB   LEU  29          1HB       LEU  29  -0.297   2.842   5.622
  209    HG   LEU  29           HG       LEU  29  -2.062   3.710   4.569
  210   1HD1  LEU  29          1HD1      LEU  29  -1.547   1.564   2.565
  211   2HD1  LEU  29          2HD1      LEU  29  -1.314   3.302   2.428
  212   3HD1  LEU  29          3HD1      LEU  29  -2.934   2.623   2.434
  213   1HD2  LEU  29          1HD2      LEU  29  -3.305   2.097   5.927
  214   2HD2  LEU  29          2HD2      LEU  29  -3.234   0.942   4.596
  215   3HD2  LEU  29          3HD2      LEU  29  -4.120   2.455   4.404
  216    H    ILE  30           H        ILE  30   0.873  -0.824   5.210
  217    HA   ILE  30           HA       ILE  30  -0.558  -2.304   3.107
  218    HB   ILE  30           HB       ILE  30   1.486  -3.472   4.963
  219   1HG1  ILE  30          2HG1      ILE  30   2.228  -1.456   3.406
  220   2HG1  ILE  30          1HG1      ILE  30   3.242  -2.879   3.581
  221   1HG2  ILE  30          1HG2      ILE  30   1.550  -5.262   3.434
  222   2HG2  ILE  30          2HG2      ILE  30   0.627  -4.363   2.228
  223   3HG2  ILE  30          3HG2      ILE  30  -0.151  -4.904   3.713
  224   1HD1  ILE  30          1HD1      ILE  30   2.631  -1.801   1.231
  225   2HD1  ILE  30          2HD1      ILE  30   1.274  -2.917   1.380
  226   3HD1  ILE  30          3HD1      ILE  30   2.929  -3.524   1.443
  227    H    ARG  31           H        ARG  31  -2.447  -3.129   3.655
  228    HA   ARG  31           HA       ARG  31  -2.881  -3.860   6.478
  229   1HB   ARG  31          2HB       ARG  31  -5.231  -3.297   6.162
  230   2HB   ARG  31          1HB       ARG  31  -4.215  -1.932   5.736
  231   1HG   ARG  31          2HG       ARG  31  -4.439  -3.009   3.331
  232   2HG   ARG  31          1HG       ARG  31  -5.942  -3.607   4.034
  233   1HD   ARG  31          2HD       ARG  31  -6.522  -1.292   4.675
  234   2HD   ARG  31          1HD       ARG  31  -5.048  -0.728   3.896
  235    HE   ARG  31           HE       ARG  31  -5.989  -1.225   1.796
  236   1HH1  ARG  31          2HH1      ARG  31  -8.211  -1.875   4.420
  237   2HH1  ARG  31          1HH1      ARG  31  -9.604  -1.886   3.394
  238   1HH2  ARG  31          1HH2      ARG  31  -7.823  -1.246   0.458
  239   2HH2  ARG  31          2HH2      ARG  31  -9.386  -1.532   1.149
  240    H    VAL  32           H        VAL  32  -5.258  -5.192   6.239
  241    HA   VAL  32           HA       VAL  32  -4.418  -7.613   4.834
  242    HB   VAL  32           HB       VAL  32  -6.121  -8.781   6.162
  243   1HG1  VAL  32          1HG1      VAL  32  -3.843  -7.378   7.252
  244   2HG1  VAL  32          2HG1      VAL  32  -4.406  -9.020   7.558
  245   3HG1  VAL  32          3HG1      VAL  32  -5.067  -7.674   8.486
  246   1HG2  VAL  32          1HG2      VAL  32  -6.641  -6.379   7.830
  247   2HG2  VAL  32          2HG2      VAL  32  -7.666  -7.777   7.507
  248   3HG2  VAL  32          3HG2      VAL  32  -7.492  -6.512   6.291
  249    H    SER  33           H        SER  33  -5.808  -8.771   3.473
  250    HA   SER  33           HA       SER  33  -7.297  -7.204   1.679
  251   1HB   SER  33          2HB       SER  33  -8.141  -9.611   0.983
  252   2HB   SER  33          1HB       SER  33  -6.478  -9.112   0.678
  253    HG   SER  33           HG       SER  33  -7.311 -11.169   2.101
  254    H    GLU  34           H        GLU  34  -8.980  -6.095   2.614
  255    HA   GLU  34           HA       GLU  34 -10.836  -7.190   4.420
  256   1HB   GLU  34          2HB       GLU  34 -11.051  -4.835   2.542
  257   2HB   GLU  34          1HB       GLU  34 -12.273  -5.232   3.742
  258   1HG   GLU  34          2HG       GLU  34  -9.395  -4.595   4.349
  259   2HG   GLU  34          1HG       GLU  34 -10.741  -3.463   4.480
  260    H    LYS  35           H        LYS  35 -10.459  -7.553   1.081
  261    HA   LYS  35           HA       LYS  35 -13.064  -8.895   0.889
  262   1HB   LYS  35          2HB       LYS  35 -12.167  -8.113  -1.719
  263   2HB   LYS  35          1HB       LYS  35 -13.652  -7.683  -0.887
  264   1HG   LYS  35          2HG       LYS  35 -12.848  -5.660  -0.202
  265   2HG   LYS  35          1HG       LYS  35 -11.173  -6.211  -0.162
  266   1HD   LYS  35          2HD       LYS  35 -11.030  -4.960  -2.040
  267   2HD   LYS  35          1HD       LYS  35 -11.644  -6.435  -2.789
  268   1HE   LYS  35          2HE       LYS  35 -13.975  -5.386  -2.231
  269   2HE   LYS  35          1HE       LYS  35 -13.060  -3.880  -2.178
  270   1HZ   LYS  35          1HZ       LYS  35 -13.587  -3.914  -4.366
  271   2HZ   LYS  35          2HZ       LYS  35 -13.676  -5.602  -4.453
  272   3HZ   LYS  35          3HZ       LYS  35 -12.169  -4.834  -4.457
  273    HA   PRO  36           HA       PRO  36  -9.912 -11.204  -2.159
  274   1HB   PRO  36          2HB       PRO  36  -7.448 -10.197  -0.796
  275   2HB   PRO  36          1HB       PRO  36  -7.695 -10.634  -2.490
  276   1HG   PRO  36          2HG       PRO  36  -7.609  -8.087  -1.765
  277   2HG   PRO  36          1HG       PRO  36  -8.773  -8.639  -2.985
  278   1HD   PRO  36          2HD       PRO  36  -9.214  -7.912  -0.131
  279   2HD   PRO  36          1HD       PRO  36 -10.271  -7.675  -1.534
  280    H    SER  37           H        SER  37  -8.856 -13.209  -1.656
  281    HA   SER  37           HA       SER  37  -9.136 -13.941   1.175
  282   1HB   SER  37          2HB       SER  37  -9.887 -15.227  -1.287
  283   2HB   SER  37          1HB       SER  37  -8.783 -16.268  -0.390
  284    HG   SER  37           HG       SER  37 -10.455 -16.742   0.775
  285    H    ALA  38           H        ALA  38  -7.368 -14.260   2.340
  286    HA   ALA  38           HA       ALA  38  -5.196 -14.588   2.936
  287   1HB   ALA  38          1HB       ALA  38  -5.357 -16.828   2.384
  288   2HB   ALA  38          2HB       ALA  38  -3.967 -16.310   1.430
  289   3HB   ALA  38          3HB       ALA  38  -5.544 -16.498   0.662
  290    H    ASP  39           H        ASP  39  -5.326 -12.217   1.918
  291    HA   ASP  39           HA       ASP  39  -2.866 -11.946   0.387
  292   1HB   ASP  39          2HB       ASP  39  -5.357 -10.496  -0.511
  293   2HB   ASP  39          1HB       ASP  39  -3.796 -10.562  -1.323
  294    H    TYR  40           H        TYR  40  -2.876  -9.266  -0.093
  295    HA   TYR  40           HA       TYR  40  -3.547  -7.882   2.396
  296   1HB   TYR  40          2HB       TYR  40  -0.841  -8.685   1.637
  297   2HB   TYR  40          1HB       TYR  40  -0.974  -6.934   1.707
  298    HD1  TYR  40           HD1      TYR  40   0.644  -6.932   3.550
  299    HD2  TYR  40           HD2      TYR  40  -3.103  -8.899   3.932
  300    HE1  TYR  40           HE1      TYR  40   0.942  -7.007   5.986
  301    HE2  TYR  40           HE2      TYR  40  -2.813  -8.987   6.368
  302    HH   TYR  40           HH       TYR  40  -0.597  -7.161   8.024
  303    H    VAL  41           H        VAL  41  -3.849  -5.690   2.104
  304    HA   VAL  41           HA       VAL  41  -3.722  -4.864  -0.724
  305    HB   VAL  41           HB       VAL  41  -5.609  -3.214   0.015
  306   1HG1  VAL  41          1HG1      VAL  41  -5.679  -6.063  -0.826
  307   2HG1  VAL  41          2HG1      VAL  41  -6.255  -4.619  -1.658
  308   3HG1  VAL  41          3HG1      VAL  41  -7.214  -5.329  -0.359
  309   1HG2  VAL  41          1HG2      VAL  41  -6.676  -3.614   1.959
  310   2HG2  VAL  41          2HG2      VAL  41  -5.256  -4.551   2.410
  311   3HG2  VAL  41          3HG2      VAL  41  -6.658  -5.358   1.715
  312    H    LEU  42           H        LEU  42  -2.796  -3.018  -1.235
  313    HA   LEU  42           HA       LEU  42  -1.657  -1.444   0.969
  314   1HB   LEU  42          2HB       LEU  42   0.002  -2.539  -0.430
  315   2HB   LEU  42          1HB       LEU  42  -0.707  -1.826  -1.865
  316    HG   LEU  42           HG       LEU  42  -0.079   0.420  -1.057
  317   1HD1  LEU  42          1HD1      LEU  42   1.811  -0.088   0.896
  318   2HD1  LEU  42          2HD1      LEU  42   0.447  -1.102   1.362
  319   3HD1  LEU  42          3HD1      LEU  42   0.221   0.629   1.133
  320   1HD2  LEU  42          1HD2      LEU  42   1.423  -1.201  -2.411
  321   2HD2  LEU  42          2HD2      LEU  42   2.356  -1.324  -0.918
  322   3HD2  LEU  42          3HD2      LEU  42   2.145   0.242  -1.700
  323    H    SER  43           H        SER  43  -1.758   0.778   0.894
  324    HA   SER  43           HA       SER  43  -3.232   1.946  -1.335
  325   1HB   SER  43          2HB       SER  43  -5.033   2.402  -0.189
  326   2HB   SER  43          1HB       SER  43  -4.353   1.602   1.225
  327    HG   SER  43           HG       SER  43  -4.918   4.120   1.001
  328    H    VAL  44           H        VAL  44  -3.040   4.207  -1.551
  329    HA   VAL  44           HA       VAL  44  -0.820   5.416  -0.097
  330    HB   VAL  44           HB       VAL  44   0.155   4.136  -2.031
  331   1HG1  VAL  44          1HG1      VAL  44  -1.786   4.784  -3.558
  332   2HG1  VAL  44          2HG1      VAL  44  -0.162   4.810  -4.245
  333   3HG1  VAL  44          3HG1      VAL  44  -0.941   6.317  -3.770
  334   1HG2  VAL  44          1HG2      VAL  44   0.796   6.649  -1.014
  335   2HG2  VAL  44          2HG2      VAL  44   0.947   6.813  -2.762
  336   3HG2  VAL  44          3HG2      VAL  44   1.854   5.562  -1.912
  337    H    ARG  45           H        ARG  45  -0.891   7.607   0.002
  338    HA   ARG  45           HA       ARG  45  -3.297   8.925  -0.689
  339   1HB   ARG  45          2HB       ARG  45  -1.720   9.614   1.161
  340   2HB   ARG  45          1HB       ARG  45  -0.636  10.225  -0.081
  341   1HG   ARG  45          2HG       ARG  45  -2.571  11.668  -0.854
  342   2HG   ARG  45          1HG       ARG  45  -3.364  11.222   0.657
  343   1HD   ARG  45          2HD       ARG  45  -1.240  12.015   1.813
  344   2HD   ARG  45          1HD       ARG  45  -0.801  12.742   0.271
  345    HE   ARG  45           HE       ARG  45  -2.893  13.610   2.086
  346   1HH1  ARG  45          2HH1      ARG  45  -1.464  13.887  -1.089
  347   2HH1  ARG  45          1HH1      ARG  45  -2.164  15.439  -1.402
  348   1HH2  ARG  45          1HH2      ARG  45  -3.813  15.648   1.672
  349   2HH2  ARG  45          2HH2      ARG  45  -3.497  16.437   0.163
  350    H    ASP  46           H        ASP  46  -0.594   8.019  -2.443
  351    HA   ASP  46           HA       ASP  46   0.199   8.526  -4.528
  352   1HB   ASP  46          2HB       ASP  46  -1.938   7.730  -5.258
  353   2HB   ASP  46          1HB       ASP  46  -2.698   9.270  -4.881
  354    H    THR  47           H        THR  47  -2.010  11.099  -5.100
  355    HA   THR  47           HA       THR  47   0.088  13.065  -4.489
  356    HB   THR  47           HB       THR  47  -0.051  12.626  -6.928
  357    HG1  THR  47           HG1      THR  47  -0.855  15.180  -6.013
  358   1HG2  THR  47          1HG2      THR  47  -1.976  12.434  -7.984
  359   2HG2  THR  47          2HG2      THR  47  -2.359  14.108  -7.583
  360   3HG2  THR  47          3HG2      THR  47  -2.848  12.807  -6.498
  361    H    GLN  48           H        GLN  48  -3.082  12.117  -4.017
  362    HA   GLN  48           HA       GLN  48  -3.697  14.356  -2.400
  363   1HB   GLN  48          2HB       GLN  48  -4.839  14.225  -5.144
  364   2HB   GLN  48          1HB       GLN  48  -5.880  14.774  -3.836
  365   1HG   GLN  48          2HG       GLN  48  -3.802  16.327  -3.324
  366   2HG   GLN  48          1HG       GLN  48  -3.498  16.063  -5.041
  367   1HE2  GLN  48          1HE2      GLN  48  -4.902  18.091  -2.920
  368   2HE2  GLN  48          2HE2      GLN  48  -6.113  18.799  -3.929
  369    H    ALA  49           H        ALA  49  -5.994  12.572  -4.308
  370    HA   ALA  49           HA       ALA  49  -7.431  11.632  -2.057
  371   1HB   ALA  49          1HB       ALA  49  -8.382  11.967  -4.351
  372   2HB   ALA  49          2HB       ALA  49  -8.788  10.420  -3.609
  373   3HB   ALA  49          3HB       ALA  49  -7.538  10.501  -4.850
  374    H    VAL  50           H        VAL  50  -7.940   8.983  -2.380
  375    HA   VAL  50           HA       VAL  50  -5.298   7.792  -1.873
  376    HB   VAL  50           HB       VAL  50  -7.969   6.849  -0.825
  377   1HG1  VAL  50          1HG1      VAL  50  -5.155   5.831  -0.514
  378   2HG1  VAL  50          2HG1      VAL  50  -6.602   4.944  -0.994
  379   3HG1  VAL  50          3HG1      VAL  50  -6.408   5.477   0.676
  380   1HG2  VAL  50          1HG2      VAL  50  -5.784   8.529   0.340
  381   2HG2  VAL  50          2HG2      VAL  50  -6.805   7.537   1.378
  382   3HG2  VAL  50          3HG2      VAL  50  -7.527   8.790   0.370
  383    H    ARG  51           H        ARG  51  -4.735   5.862  -2.711
  384    HA   ARG  51           HA       ARG  51  -6.536   4.627  -4.675
  385   1HB   ARG  51          2HB       ARG  51  -3.569   4.998  -5.087
  386   2HB   ARG  51          1HB       ARG  51  -4.738   4.394  -6.254
  387   1HG   ARG  51          2HG       ARG  51  -5.843   6.695  -6.044
  388   2HG   ARG  51          1HG       ARG  51  -4.339   7.195  -5.268
  389   1HD   ARG  51          2HD       ARG  51  -3.123   7.005  -7.192
  390   2HD   ARG  51          1HD       ARG  51  -4.157   5.736  -7.849
  391    HE   ARG  51           HE       ARG  51  -5.429   8.313  -7.662
  392   1HH1  ARG  51          2HH1      ARG  51  -3.461   6.218  -9.644
  393   2HH1  ARG  51          1HH1      ARG  51  -3.904   6.996 -11.126
  394   1HH2  ARG  51          1HH2      ARG  51  -6.012   9.337  -9.611
  395   2HH2  ARG  51          2HH2      ARG  51  -5.352   8.767 -11.107
  396    H    HIS  52           H        HIS  52  -6.972   2.701  -3.788
  397    HA   HIS  52           HA       HIS  52  -5.032   1.388  -2.095
  398   1HB   HIS  52          2HB       HIS  52  -7.814   0.537  -2.963
  399   2HB   HIS  52          1HB       HIS  52  -6.839  -0.260  -1.725
  400    HD1  HIS  52           HD1      HIS  52  -6.312   1.153   0.421
  401    HD2  HIS  52           HD2      HIS  52  -9.171   2.780  -2.106
  402    HE1  HIS  52           HE1      HIS  52  -7.279   3.083   1.669
  403    HE2  HIS  52           HE2      HIS  52  -8.935   4.126   0.090
  404    H    TYR  53           H        TYR  53  -4.728  -1.046  -2.395
  405    HA   TYR  53           HA       TYR  53  -4.696  -1.939  -5.160
  406   1HB   TYR  53          2HB       TYR  53  -2.095  -1.863  -3.647
  407   2HB   TYR  53          1HB       TYR  53  -2.353  -2.166  -5.362
  408    HD1  TYR  53           HD1      TYR  53  -3.189  -0.254  -6.790
  409    HD2  TYR  53           HD2      TYR  53  -1.652   0.324  -2.867
  410    HE1  TYR  53           HE1      TYR  53  -2.795   2.112  -7.305
  411    HE2  TYR  53           HE2      TYR  53  -1.256   2.697  -3.371
  412    HH   TYR  53           HH       TYR  53  -2.426   4.166  -6.303
  413    H    LYS  54           H        LYS  54  -4.893  -4.074  -5.314
  414    HA   LYS  54           HA       LYS  54  -5.026  -5.664  -2.899
  415   1HB   LYS  54          2HB       LYS  54  -6.632  -5.736  -4.951
  416   2HB   LYS  54          1HB       LYS  54  -5.380  -6.723  -5.689
  417   1HG   LYS  54          2HG       LYS  54  -5.672  -7.949  -3.284
  418   2HG   LYS  54          1HG       LYS  54  -7.312  -7.377  -3.594
  419   1HD   LYS  54          2HD       LYS  54  -7.088  -9.589  -4.503
  420   2HD   LYS  54          1HD       LYS  54  -7.201  -8.441  -5.838
  421   1HE   LYS  54          2HE       LYS  54  -4.693  -8.470  -5.944
  422   2HE   LYS  54          1HE       LYS  54  -4.725  -9.791  -4.780
  423   1HZ   LYS  54          1HZ       LYS  54  -4.987 -11.169  -6.478
  424   2HZ   LYS  54          2HZ       LYS  54  -5.099  -9.888  -7.575
  425   3HZ   LYS  54          3HZ       LYS  54  -6.491 -10.469  -6.810
  426    H    ILE  55           H        ILE  55  -3.213  -6.507  -2.116
  427    HA   ILE  55           HA       ILE  55  -1.000  -7.166  -3.921
  428    HB   ILE  55           HB       ILE  55  -0.776  -7.515  -0.981
  429   1HG1  ILE  55          2HG1      ILE  55  -0.298  -4.759  -2.045
  430   2HG1  ILE  55          1HG1      ILE  55  -1.930  -5.215  -1.565
  431   1HG2  ILE  55          1HG2      ILE  55   1.334  -7.766  -1.550
  432   2HG2  ILE  55          2HG2      ILE  55   1.383  -6.080  -2.048
  433   3HG2  ILE  55          3HG2      ILE  55   0.972  -7.335  -3.216
  434   1HD1  ILE  55          1HD1      ILE  55   0.024  -4.217   0.077
  435   2HD1  ILE  55          2HD1      ILE  55   0.059  -5.944   0.412
  436   3HD1  ILE  55          3HD1      ILE  55  -1.444  -5.043   0.595
  437    H    TRP  56           H        TRP  56  -1.476  -9.109  -4.811
  438    HA   TRP  56           HA       TRP  56  -2.644 -11.219  -3.214
  439   1HB   TRP  56          2HB       TRP  56  -3.263 -10.788  -5.608
  440   2HB   TRP  56          1HB       TRP  56  -1.671 -11.383  -6.067
  441    HD1  TRP  56           HD1      TRP  56  -1.281 -13.994  -6.024
  442    HE1  TRP  56           HE1      TRP  56  -2.863 -16.005  -5.757
  443    HE3  TRP  56           HE3      TRP  56  -5.446 -11.540  -4.358
  444    HZ2  TRP  56           HZ2      TRP  56  -5.522 -16.489  -4.946
  445    HZ3  TRP  56           HZ3      TRP  56  -7.466 -12.850  -3.860
  446    HH2  TRP  56           HH2      TRP  56  -7.502 -15.275  -4.148
  447    H    ARG  57           H        ARG  57  -1.732 -13.114  -2.598
  448    HA   ARG  57           HA       ARG  57   1.180 -13.153  -2.496
  449   1HB   ARG  57          2HB       ARG  57  -0.536 -13.606  -0.533
  450   2HB   ARG  57          1HB       ARG  57  -0.517 -15.237  -1.191
  451   1HG   ARG  57          2HG       ARG  57   2.080 -14.938  -1.039
  452   2HG   ARG  57          1HG       ARG  57   1.652 -13.708   0.152
  453   1HD   ARG  57          2HD       ARG  57   0.066 -15.734   0.958
  454   2HD   ARG  57          1HD       ARG  57   1.416 -16.645   0.282
  455    HE   ARG  57           HE       ARG  57   2.222 -14.536   2.060
  456   1HH1  ARG  57          2HH1      ARG  57   1.195 -17.865   1.852
  457   2HH1  ARG  57          1HH1      ARG  57   1.942 -18.320   3.347
  458   1HH2  ARG  57          1HH2      ARG  57   3.205 -15.132   4.027
  459   2HH2  ARG  57          2HH2      ARG  57   3.083 -16.768   4.582
  460    H    ARG  58           H        ARG  58   2.404 -14.995  -3.115
  461    HA   ARG  58           HA       ARG  58   1.205 -16.435  -5.352
  462   1HB   ARG  58          2HB       ARG  58   3.958 -15.709  -4.530
  463   2HB   ARG  58          1HB       ARG  58   3.773 -17.210  -5.426
  464   1HG   ARG  58          2HG       ARG  58   2.261 -15.135  -6.695
  465   2HG   ARG  58          1HG       ARG  58   3.921 -14.599  -6.439
  466   1HD   ARG  58          2HD       ARG  58   4.262 -15.668  -8.400
  467   2HD   ARG  58          1HD       ARG  58   4.385 -17.079  -7.351
  468    HE   ARG  58           HE       ARG  58   2.489 -17.886  -8.317
  469   1HH1  ARG  58          2HH1      ARG  58   2.594 -14.436  -8.841
  470   2HH1  ARG  58          1HH1      ARG  58   1.185 -14.420  -9.847
  471   1HH2  ARG  58          1HH2      ARG  58   0.635 -17.866  -9.639
  472   2HH2  ARG  58          2HH2      ARG  58   0.072 -16.367 -10.299
  473    H    ALA  59           H        ALA  59   0.723 -17.087  -2.450
  474    HA   ALA  59           HA       ALA  59   0.576 -18.902  -1.078
  475   1HB   ALA  59          1HB       ALA  59  -0.452 -19.573  -3.472
  476   2HB   ALA  59          2HB       ALA  59  -0.458 -20.644  -2.070
  477   3HB   ALA  59          3HB       ALA  59   0.787 -20.818  -3.307
  478    H    GLY  60           H        GLY  60   3.307 -17.971  -1.844
  479   1HA   GLY  60          2HA       GLY  60   4.754 -20.104  -0.596
  480   2HA   GLY  60          1HA       GLY  60   5.140 -19.960  -2.304
  481    H    GLY  61           H        GLY  61   4.304 -17.190  -0.344
  482   1HA   GLY  61          2HA       GLY  61   5.630 -15.518   0.567
  483   2HA   GLY  61          1HA       GLY  61   7.049 -16.481   0.187
  484    H    ARG  62           H        ARG  62   4.562 -14.433  -1.302
  485    HA   ARG  62           HA       ARG  62   6.390 -12.837  -2.686
  486   1HB   ARG  62          2HB       ARG  62   6.022 -15.323  -3.940
  487   2HB   ARG  62          1HB       ARG  62   5.091 -14.172  -4.887
  488   1HG   ARG  62          2HG       ARG  62   7.216 -12.728  -4.835
  489   2HG   ARG  62          1HG       ARG  62   8.031 -14.214  -4.342
  490   1HD   ARG  62          2HD       ARG  62   6.838 -15.258  -6.389
  491   2HD   ARG  62          1HD       ARG  62   6.631 -13.587  -6.914
  492    HE   ARG  62           HE       ARG  62   8.815 -13.602  -7.543
  493   1HH1  ARG  62          2HH1      ARG  62   8.391 -16.030  -5.073
  494   2HH1  ARG  62          1HH1      ARG  62  10.029 -16.583  -5.159
  495   1HH2  ARG  62          1HH2      ARG  62  10.970 -14.331  -7.660
  496   2HH2  ARG  62          2HH2      ARG  62  11.493 -15.619  -6.628
  497    H    LEU  63           H        LEU  63   5.385 -10.992  -2.954
  498    HA   LEU  63           HA       LEU  63   2.458 -10.982  -3.217
  499   1HB   LEU  63          2HB       LEU  63   4.392  -8.968  -2.098
  500   2HB   LEU  63          1HB       LEU  63   2.742  -8.546  -2.503
  501    HG   LEU  63           HG       LEU  63   3.112  -9.055  -0.089
  502   1HD1  LEU  63          1HD1      LEU  63   1.260 -11.179  -0.792
  503   2HD1  LEU  63          2HD1      LEU  63   0.992  -9.709  -1.730
  504   3HD1  LEU  63          3HD1      LEU  63   0.968  -9.647   0.032
  505   1HD2  LEU  63          1HD2      LEU  63   3.219 -11.948  -0.796
  506   2HD2  LEU  63          2HD2      LEU  63   3.728 -11.129   0.680
  507   3HD2  LEU  63          3HD2      LEU  63   4.709 -11.005  -0.780
  508    H    HIS  64           H        HIS  64   1.456  -9.659  -4.734
  509    HA   HIS  64           HA       HIS  64   3.032  -8.068  -6.528
  510   1HB   HIS  64          2HB       HIS  64   2.488  -9.251  -8.566
  511   2HB   HIS  64          1HB       HIS  64   3.320 -10.343  -7.466
  512    HD1  HIS  64           HD1      HIS  64   0.021  -9.752  -9.105
  513    HD2  HIS  64           HD2      HIS  64   1.782 -12.491  -6.526
  514    HE1  HIS  64           HE1      HIS  64  -1.558 -11.705  -9.021
  515    HE2  HIS  64           HE2      HIS  64  -0.380 -13.418  -7.600
  516    H    LEU  65           H        LEU  65   1.826  -6.280  -6.307
  517    HA   LEU  65           HA       LEU  65  -0.946  -6.238  -5.917
  518   1HB   LEU  65          2HB       LEU  65   1.023  -4.180  -6.864
  519   2HB   LEU  65          1HB       LEU  65  -0.692  -3.817  -6.811
  520    HG   LEU  65           HG       LEU  65  -0.722  -4.251  -4.400
  521   1HD1  LEU  65          1HD1      LEU  65   1.326  -4.645  -3.182
  522   2HD1  LEU  65          2HD1      LEU  65   2.249  -4.635  -4.681
  523   3HD1  LEU  65          3HD1      LEU  65   1.083  -5.919  -4.375
  524   1HD2  LEU  65          1HD2      LEU  65   1.517  -2.429  -4.380
  525   2HD2  LEU  65          2HD2      LEU  65  -0.188  -2.124  -4.050
  526   3HD2  LEU  65          3HD2      LEU  65   0.412  -2.072  -5.708
  527    H    ASN  66           H        ASN  66   1.005  -6.528  -8.700
  528    HA   ASN  66           HA       ASN  66  -1.320  -6.921 -10.388
  529   1HB   ASN  66          2HB       ASN  66  -0.059  -4.477 -10.460
  530   2HB   ASN  66          1HB       ASN  66   0.751  -5.355 -11.754
  531   1HD2  ASN  66          1HD2      ASN  66  -0.171  -4.009 -13.307
  532   2HD2  ASN  66          2HD2      ASN  66  -1.833  -4.144 -13.762
  533    H    GLU  67           H        GLU  67  -0.349  -7.494 -12.736
  534    HA   GLU  67           HA       GLU  67   1.264  -9.831 -12.259
  535   1HB   GLU  67          2HB       GLU  67  -0.234  -8.710 -14.585
  536   2HB   GLU  67          1HB       GLU  67   1.010  -9.917 -14.885
  537   1HG   GLU  67          2HG       GLU  67  -0.700 -10.743 -12.725
  538   2HG   GLU  67          1HG       GLU  67  -1.647 -10.354 -14.160
  539    H    ALA  68           H        ALA  68   2.504  -7.106 -11.976
  540    HA   ALA  68           HA       ALA  68   4.873  -7.704 -13.551
  541   1HB   ALA  68          1HB       ALA  68   3.942  -6.234 -15.083
  542   2HB   ALA  68          2HB       ALA  68   5.004  -5.197 -14.131
  543   3HB   ALA  68          3HB       ALA  68   3.267  -5.196 -13.827
  544    H    VAL  69           H        VAL  69   3.713  -7.206 -10.593
  545    HA   VAL  69           HA       VAL  69   6.215  -5.935  -9.709
  546    HB   VAL  69           HB       VAL  69   5.051  -4.673  -7.979
  547   1HG1  VAL  69          1HG1      VAL  69   5.267  -3.989 -10.564
  548   2HG1  VAL  69          2HG1      VAL  69   4.598  -2.921  -9.329
  549   3HG1  VAL  69          3HG1      VAL  69   3.520  -3.855 -10.366
  550   1HG2  VAL  69          1HG2      VAL  69   2.966  -6.431  -8.404
  551   2HG2  VAL  69          2HG2      VAL  69   2.368  -4.915  -9.077
  552   3HG2  VAL  69          3HG2      VAL  69   2.916  -4.980  -7.401
  553    H    SER  70           H        SER  70   6.291  -8.516  -9.650
  554    HA   SER  70           HA       SER  70   5.151  -9.609  -7.225
  555   1HB   SER  70          2HB       SER  70   6.323 -11.701  -7.936
  556   2HB   SER  70          1HB       SER  70   5.224 -11.057  -9.155
  557    HG   SER  70           HG       SER  70   6.953 -10.297 -10.305
  558    H    PHE  71           H        PHE  71   6.152  -9.928  -5.331
  559    HA   PHE  71           HA       PHE  71   9.032  -9.926  -5.091
  560   1HB   PHE  71          2HB       PHE  71   7.610  -7.487  -4.719
  561   2HB   PHE  71          1HB       PHE  71   8.166  -8.032  -3.139
  562    HD1  PHE  71           HD1      PHE  71  10.678  -8.908  -3.144
  563    HD2  PHE  71           HD2      PHE  71   9.030  -6.166  -5.950
  564    HE1  PHE  71           HE1      PHE  71  12.937  -8.072  -3.647
  565    HE2  PHE  71           HE2      PHE  71  11.288  -5.326  -6.458
  566    HZ   PHE  71           HZ       PHE  71  13.244  -6.280  -5.306
  567    H    LEU  72           H        LEU  72   9.556 -11.374  -3.706
  568    HA   LEU  72           HA       LEU  72   8.282 -13.213  -2.402
  569   1HB   LEU  72          2HB       LEU  72   9.981 -12.964  -0.483
  570   2HB   LEU  72          1HB       LEU  72  10.566 -13.247  -2.113
  571    HG   LEU  72           HG       LEU  72  10.675 -10.609  -2.187
  572   1HD1  LEU  72          1HD1      LEU  72  11.637 -10.406   0.448
  573   2HD1  LEU  72          2HD1      LEU  72  10.049 -11.163   0.562
  574   3HD1  LEU  72          3HD1      LEU  72  10.228  -9.612  -0.253
  575   1HD2  LEU  72          1HD2      LEU  72  12.589 -12.627  -1.125
  576   2HD2  LEU  72          2HD2      LEU  72  13.018 -10.921  -1.003
  577   3HD2  LEU  72          3HD2      LEU  72  12.679 -11.634  -2.580
  578    H    SER  73           H        SER  73   8.449  -9.932  -1.038
  579    HA   SER  73           HA       SER  73   6.110 -10.537   0.576
  580   1HB   SER  73          2HB       SER  73   8.184 -11.054   1.947
  581   2HB   SER  73          1HB       SER  73   8.540  -9.327   1.890
  582    HG   SER  73           HG       SER  73   6.191 -10.526   2.944
  583    H    LEU  74           H        LEU  74   5.216  -8.559   1.645
  584    HA   LEU  74           HA       LEU  74   4.813  -6.522  -0.182
  585   1HB   LEU  74          2HB       LEU  74   4.086  -7.020   2.558
  586   2HB   LEU  74          1HB       LEU  74   4.455  -5.325   2.319
  587    HG   LEU  74           HG       LEU  74   2.226  -5.321   1.875
  588   1HD1  LEU  74          1HD1      LEU  74   3.582  -4.621  -0.158
  589   2HD1  LEU  74          2HD1      LEU  74   1.861  -4.921  -0.376
  590   3HD1  LEU  74          3HD1      LEU  74   3.037  -6.135  -0.878
  591   1HD2  LEU  74          1HD2      LEU  74   2.491  -8.062   1.773
  592   2HD2  LEU  74          2HD2      LEU  74   1.846  -7.634   0.190
  593   3HD2  LEU  74          3HD2      LEU  74   0.989  -7.149   1.649
  594    HA   PRO  75           HA       PRO  75   7.980  -3.881   2.671
  595   1HB   PRO  75          2HB       PRO  75  10.062  -5.760   3.189
  596   2HB   PRO  75          1HB       PRO  75   9.041  -4.932   4.364
  597   1HG   PRO  75          2HG       PRO  75   8.794  -7.659   3.238
  598   2HG   PRO  75          1HG       PRO  75   8.266  -7.037   4.811
  599   1HD   PRO  75          2HD       PRO  75   6.513  -7.591   2.866
  600   2HD   PRO  75          1HD       PRO  75   6.275  -6.209   3.951
  601    H    GLU  76           H        GLU  76   9.339  -6.709   0.957
  602    HA   GLU  76           HA       GLU  76  11.271  -5.152  -0.440
  603   1HB   GLU  76          2HB       GLU  76  10.201  -7.902  -1.102
  604   2HB   GLU  76          1HB       GLU  76  11.671  -7.184  -1.745
  605   1HG   GLU  76          2HG       GLU  76  11.124  -8.076   1.067
  606   2HG   GLU  76          1HG       GLU  76  12.334  -8.689  -0.060
  607    H    LEU  77           H        LEU  77   8.039  -6.310  -1.122
  608    HA   LEU  77           HA       LEU  77   7.905  -5.692  -3.854
  609   1HB   LEU  77          2HB       LEU  77   6.155  -7.003  -3.107
  610   2HB   LEU  77          1HB       LEU  77   5.913  -6.043  -1.663
  611    HG   LEU  77           HG       LEU  77   5.292  -4.793  -4.294
  612   1HD1  LEU  77          1HD1      LEU  77   3.037  -6.200  -3.098
  613   2HD1  LEU  77          2HD1      LEU  77   4.272  -7.273  -3.753
  614   3HD1  LEU  77          3HD1      LEU  77   3.522  -6.058  -4.787
  615   1HD2  LEU  77          1HD2      LEU  77   3.309  -4.346  -2.357
  616   2HD2  LEU  77          2HD2      LEU  77   4.559  -3.226  -2.894
  617   3HD2  LEU  77          3HD2      LEU  77   4.851  -4.268  -1.505
  618    H    VAL  78           H        VAL  78   6.722  -3.791  -1.067
  619    HA   VAL  78           HA       VAL  78   5.975  -1.500  -2.413
  620    HB   VAL  78           HB       VAL  78   7.179  -1.759   0.352
  621   1HG1  VAL  78          1HG1      VAL  78   7.122   0.445   0.624
  622   2HG1  VAL  78          2HG1      VAL  78   5.461   0.522   0.042
  623   3HG1  VAL  78          3HG1      VAL  78   6.798   0.614  -1.098
  624   1HG2  VAL  78          1HG2      VAL  78   4.595  -1.206   0.769
  625   2HG2  VAL  78          2HG2      VAL  78   5.203  -2.851   0.590
  626   3HG2  VAL  78          3HG2      VAL  78   4.458  -2.032  -0.783
  627    H    ASN  79           H        ASN  79   9.142  -2.704  -1.632
  628    HA   ASN  79           HA       ASN  79  10.632  -0.341  -2.031
  629   1HB   ASN  79          2HB       ASN  79  11.301  -2.772  -1.148
  630   2HB   ASN  79          1HB       ASN  79  11.786  -2.975  -2.828
  631   1HD2  ASN  79          1HD2      ASN  79  12.902  -0.752  -3.593
  632   2HD2  ASN  79          2HD2      ASN  79  14.230  -0.296  -2.588
  633    H    TYR  80           H        TYR  80   9.345  -2.803  -4.173
  634    HA   TYR  80           HA       TYR  80  10.675  -1.886  -6.533
  635   1HB   TYR  80          2HB       TYR  80   9.695  -4.187  -6.235
  636   2HB   TYR  80          1HB       TYR  80   8.096  -3.463  -6.344
  637    HD1  TYR  80           HD1      TYR  80  11.132  -4.346  -8.199
  638    HD2  TYR  80           HD2      TYR  80   7.235  -2.659  -8.461
  639    HE1  TYR  80           HE1      TYR  80  11.218  -4.541 -10.649
  640    HE2  TYR  80           HE2      TYR  80   7.310  -2.849 -10.911
  641    HH   TYR  80           HH       TYR  80   8.909  -3.040 -12.695
  642    H    HIS  81           H        HIS  81   7.522  -1.386  -5.051
  643    HA   HIS  81           HA       HIS  81   6.420   0.262  -7.059
  644   1HB   HIS  81          2HB       HIS  81   5.844   0.027  -4.101
  645   2HB   HIS  81          1HB       HIS  81   4.898   1.035  -5.188
  646    HD1  HIS  81           HD1      HIS  81   3.129  -0.105  -6.575
  647    HD2  HIS  81           HD2      HIS  81   5.556  -2.777  -4.528
  648    HE1  HIS  81           HE1      HIS  81   2.080  -2.363  -6.921
  649    HE2  HIS  81           HE2      HIS  81   3.669  -3.981  -5.825
  650    H    ARG  82           H        ARG  82   8.591   0.819  -4.387
  651    HA   ARG  82           HA       ARG  82   8.349   3.655  -4.447
  652   1HB   ARG  82          2HB       ARG  82   8.999   2.683  -2.365
  653   2HB   ARG  82          1HB       ARG  82  10.310   1.795  -3.125
  654   1HG   ARG  82          2HG       ARG  82  11.208   4.191  -3.687
  655   2HG   ARG  82          1HG       ARG  82  10.164   4.668  -2.348
  656   1HD   ARG  82          2HD       ARG  82  11.888   4.144  -1.028
  657   2HD   ARG  82          1HD       ARG  82  11.467   2.464  -1.354
  658    HE   ARG  82           HE       ARG  82  13.319   2.282  -2.705
  659   1HH1  ARG  82          2HH1      ARG  82  12.785   5.642  -1.914
  660   2HH1  ARG  82          1HH1      ARG  82  14.310   6.161  -2.547
  661   1HH2  ARG  82          1HH2      ARG  82  15.323   2.967  -3.540
  662   2HH2  ARG  82          2HH2      ARG  82  15.750   4.644  -3.470
  663    H    ALA  83           H        ALA  83  10.184   1.332  -6.123
  664    HA   ALA  83           HA       ALA  83  12.145   3.224  -7.073
  665   1HB   ALA  83          1HB       ALA  83  11.517   0.403  -7.956
  666   2HB   ALA  83          2HB       ALA  83  12.798   0.894  -6.848
  667   3HB   ALA  83          3HB       ALA  83  12.869   1.370  -8.544
  668    H    GLN  84           H        GLN  84   9.824   1.158  -8.719
  669    HA   GLN  84           HA       GLN  84   9.428   3.191 -10.791
  670   1HB   GLN  84          2HB       GLN  84   8.685   0.261 -10.746
  671   2HB   GLN  84          1HB       GLN  84   8.383   1.357 -12.089
  672   1HG   GLN  84          2HG       GLN  84  11.168   1.192 -11.125
  673   2HG   GLN  84          1HG       GLN  84  10.522  -0.233 -11.937
  674   1HE2  GLN  84          1HE2      GLN  84  12.225   2.482 -12.430
  675   2HE2  GLN  84          2HE2      GLN  84  11.869   2.774 -14.095
  676    H    SER  85           H        SER  85   7.246   3.587 -11.594
  677    HA   SER  85           HA       SER  85   5.287   3.577  -9.409
  678   1HB   SER  85          2HB       SER  85   4.105   5.003 -11.423
  679   2HB   SER  85          1HB       SER  85   5.105   5.711 -10.154
  680    HG   SER  85           HG       SER  85   6.397   6.299 -11.688
  681    H    LEU  86           H        LEU  86   5.960   1.183 -10.889
  682    HA   LEU  86           HA       LEU  86   4.426   0.376 -12.950
  683   1HB   LEU  86          2HB       LEU  86   6.014  -0.880 -11.161
  684   2HB   LEU  86          1HB       LEU  86   4.453  -1.537 -10.711
  685    HG   LEU  86           HG       LEU  86   5.681  -2.956 -12.324
  686   1HD1  LEU  86          1HD1      LEU  86   3.033  -1.761 -13.043
  687   2HD1  LEU  86          2HD1      LEU  86   3.393  -3.341 -12.350
  688   3HD1  LEU  86          3HD1      LEU  86   3.763  -3.016 -14.044
  689   1HD2  LEU  86          1HD2      LEU  86   6.640  -0.872 -13.507
  690   2HD2  LEU  86          2HD2      LEU  86   5.129  -0.888 -14.417
  691   3HD2  LEU  86          3HD2      LEU  86   6.210  -2.279 -14.481
  692    H    SER  87           H        SER  87   2.391   0.977 -13.277
  693    HA   SER  87           HA       SER  87   0.170   1.448 -12.858
  694   1HB   SER  87          2HB       SER  87   0.667  -1.472 -12.492
  695   2HB   SER  87          1HB       SER  87  -0.956  -0.849 -12.203
  696    HG   SER  87           HG       SER  87  -0.671  -1.485 -14.376
  697    H    HIS  88           H        HIS  88   1.707   2.160 -10.524
  698    HA   HIS  88           HA       HIS  88  -0.337   1.623  -8.475
  699   1HB   HIS  88          2HB       HIS  88   1.689   0.414  -7.865
  700   2HB   HIS  88          1HB       HIS  88   2.647   1.880  -8.042
  701    HD1  HIS  88           HD1      HIS  88   1.484  -0.115  -5.474
  702    HD2  HIS  88           HD2      HIS  88   1.224   3.972  -6.168
  703    HE1  HIS  88           HE1      HIS  88   1.085   0.925  -3.223
  704    HE2  HIS  88           HE2      HIS  88   0.982   3.400  -3.657
  705    H    GLY  89           H        GLY  89  -1.335   3.354  -7.759
  706   1HA   GLY  89          2HA       GLY  89  -1.021   5.889  -8.766
  707   2HA   GLY  89          1HA       GLY  89  -1.812   5.537  -7.243
  708    H    LEU  90           H        LEU  90   1.195   6.409  -8.775
  709    HA   LEU  90           HA       LEU  90   2.861   7.785  -8.062
  710   1HB   LEU  90          2HB       LEU  90   0.821   8.504  -6.392
  711   2HB   LEU  90          1HB       LEU  90   2.050   7.996  -5.253
  712    HG   LEU  90           HG       LEU  90   3.264   9.661  -7.222
  713   1HD1  LEU  90          1HD1      LEU  90   1.783  11.224  -7.688
  714   2HD1  LEU  90          2HD1      LEU  90   1.662  11.605  -5.972
  715   3HD1  LEU  90          3HD1      LEU  90   0.577  10.418  -6.690
  716   1HD2  LEU  90          1HD2      LEU  90   3.275   9.251  -4.423
  717   2HD2  LEU  90          2HD2      LEU  90   3.012  10.970  -4.714
  718   3HD2  LEU  90          3HD2      LEU  90   4.421  10.166  -5.402
  719    H    ARG  91           H        ARG  91   4.831   7.574  -7.091
  720    HA   ARG  91           HA       ARG  91   5.649   4.963  -6.438
  721   1HB   ARG  91          2HB       ARG  91   7.173   6.474  -7.494
  722   2HB   ARG  91          1HB       ARG  91   6.989   7.653  -6.206
  723   1HG   ARG  91          2HG       ARG  91   8.041   5.980  -4.662
  724   2HG   ARG  91          1HG       ARG  91   8.399   5.006  -6.089
  725   1HD   ARG  91          2HD       ARG  91  10.252   6.528  -5.278
  726   2HD   ARG  91          1HD       ARG  91   9.828   6.656  -6.982
  727    HE   ARG  91           HE       ARG  91   9.367   8.643  -4.904
  728   1HH1  ARG  91          2HH1      ARG  91   8.824   7.652  -8.212
  729   2HH1  ARG  91          1HH1      ARG  91   8.423   9.247  -8.751
  730   1HH2  ARG  91          1HH2      ARG  91   8.836  10.737  -5.617
  731   2HH2  ARG  91          2HH2      ARG  91   8.431  10.997  -7.282
  732    H    LEU  92           H        LEU  92   6.144   3.979  -4.520
  733    HA   LEU  92           HA       LEU  92   4.900   4.992  -2.141
  734   1HB   LEU  92          2HB       LEU  92   6.609   2.565  -2.597
  735   2HB   LEU  92          1HB       LEU  92   5.747   2.926  -1.109
  736    HG   LEU  92           HG       LEU  92   4.528   2.407  -3.804
  737   1HD1  LEU  92          1HD1      LEU  92   3.742   0.377  -2.952
  738   2HD1  LEU  92          2HD1      LEU  92   4.061   0.852  -1.285
  739   3HD1  LEU  92          3HD1      LEU  92   5.400   0.470  -2.365
  740   1HD2  LEU  92          1HD2      LEU  92   3.496   3.814  -1.507
  741   2HD2  LEU  92          2HD2      LEU  92   2.507   2.413  -1.916
  742   3HD2  LEU  92          3HD2      LEU  92   2.826   3.654  -3.128
  743    H    ALA  93           H        ALA  93   5.901   6.826  -1.555
  744    HA   ALA  93           HA       ALA  93   8.786   6.806  -1.072
  745   1HB   ALA  93          1HB       ALA  93   8.765   8.984  -1.526
  746   2HB   ALA  93          2HB       ALA  93   7.395   9.287  -0.457
  747   3HB   ALA  93          3HB       ALA  93   7.120   8.720  -2.103
  748    H    ALA  94           H        ALA  94   6.141   8.346   0.774
  749    HA   ALA  94           HA       ALA  94   7.559   7.608   3.234
  750   1HB   ALA  94          1HB       ALA  94   6.840   9.535   4.151
  751   2HB   ALA  94          2HB       ALA  94   5.249   9.429   3.396
  752   3HB   ALA  94          3HB       ALA  94   6.629  10.014   2.466
  753    HA   PRO  95           HA       PRO  95   4.141   5.118   4.628
  754   1HB   PRO  95          2HB       PRO  95   4.239   5.401   7.269
  755   2HB   PRO  95          1HB       PRO  95   5.636   4.787   6.379
  756   1HG   PRO  95          2HG       PRO  95   5.195   7.458   7.598
  757   2HG   PRO  95          1HG       PRO  95   6.704   6.560   7.368
  758   1HD   PRO  95          2HD       PRO  95   5.653   8.639   5.723
  759   2HD   PRO  95          1HD       PRO  95   7.099   7.654   5.426
  760    H    CYS  96           H        CYS  96   2.133   4.998   6.029
  761    HA   CYS  96           HA       CYS  96   0.500   7.327   5.513
  762   1HB   CYS  96          2HB       CYS  96  -1.312   5.944   5.646
  763   2HB   CYS  96          1HB       CYS  96  -0.086   4.739   5.290
  764    HG   CYS  96           HG       CYS  96  -0.876   5.176   8.252
  765    H    ARG  97           H        ARG  97  -0.804   8.370   7.129
  766    HA   ARG  97           HA       ARG  97   0.211   8.077   9.875
  767   1HB   ARG  97          2HB       ARG  97   0.437  10.367   8.131
  768   2HB   ARG  97          1HB       ARG  97  -0.501  10.777   9.562
  769   1HG   ARG  97          2HG       ARG  97   1.343   9.865  10.956
  770   2HG   ARG  97          1HG       ARG  97   2.287   9.644   9.481
  771   1HD   ARG  97          2HD       ARG  97   3.032  11.701  10.207
  772   2HD   ARG  97          1HD       ARG  97   1.749  12.160   9.089
  773    HE   ARG  97           HE       ARG  97   0.536  12.979  10.856
  774   1HH1  ARG  97          2HH1      ARG  97   3.173  11.047  12.077
  775   2HH1  ARG  97          1HH1      ARG  97   2.936  11.537  13.721
  776   1HH2  ARG  97          1HH2      ARG  97   0.223  13.625  13.017
  777   2HH2  ARG  97          2HH2      ARG  97   1.261  13.001  14.255
  778    H    LYS  98           H        LYS  98  -1.278   8.182  11.482
  779    HA   LYS  98           HA       LYS  98  -4.081   8.303  10.648
  780   1HB   LYS  98          2HB       LYS  98  -3.077   6.361  12.000
  781   2HB   LYS  98          1HB       LYS  98  -3.081   7.471  13.364
  782   1HG   LYS  98          2HG       LYS  98  -5.431   7.631  13.359
  783   2HG   LYS  98          1HG       LYS  98  -5.554   6.876  11.768
  784   1HD   LYS  98          2HD       LYS  98  -5.947   4.977  12.888
  785   2HD   LYS  98          1HD       LYS  98  -4.217   4.977  13.232
  786   1HE   LYS  98          2HE       LYS  98  -4.833   6.435  15.258
  787   2HE   LYS  98          1HE       LYS  98  -6.485   5.890  14.973
  788   1HZ   LYS  98          1HZ       LYS  98  -5.735   4.320  16.437
  789   2HZ   LYS  98          2HZ       LYS  98  -4.148   4.349  15.856
  790   3HZ   LYS  98          3HZ       LYS  98  -5.356   3.559  14.975
  791    H    HIS  99           H        HIS  99  -5.623   9.285  12.255
  792    HA   HIS  99           HA       HIS  99  -4.502  11.539  13.738
  793   1HB   HIS  99          2HB       HIS  99  -5.086  12.293  11.398
  794   2HB   HIS  99          1HB       HIS  99  -6.765  11.923  11.775
  795    HD1  HIS  99           HD1      HIS  99  -5.706  13.153  14.837
  796    HD2  HIS  99           HD2      HIS  99  -6.364  14.967  11.156
  797    HE1  HIS  99           HE1      HIS  99  -6.055  15.592  15.342
  798    HE2  HIS  99           HE2      HIS  99  -6.538  16.655  13.108
  799    H    GLU 100           HN       GLU 100  -7.583  10.042  12.742
  800    HA   GLU 100           HA       GLU 100  -8.746  10.659  15.333
  801   1HB   GLU 100          2HB       GLU 100 -10.825   9.809  14.393
  802   2HB   GLU 100          1HB       GLU 100 -10.086  10.963  13.290
  803   1HG   GLU 100          2HG       GLU 100  -9.048   8.767  12.255
  804   2HG   GLU 100          1HG       GLU 100 -10.467   8.036  13.005
  Start of MODEL    5
    1   1H    SER   1          1H        SER   1   9.223   6.872   4.778
    2   2H    SER   1          2H        SER   1  10.835   7.414   5.000
    3   3H    SER   1          3H        SER   1  10.196   6.180   6.007
    4    HA   SER   1           HA       SER   1  10.387   5.876   3.100
    5   1HB   SER   1          2HB       SER   1  12.491   4.457   4.077
    6   2HB   SER   1          1HB       SER   1  12.626   6.087   3.418
    7    HG   SER   1           HG       SER   1  12.381   5.340   6.141
    8    H    GLU   2           H        GLU   2   8.480   5.079   5.273
    9    HA   GLU   2           HA       GLU   2   8.638   2.184   4.804
   10   1HB   GLU   2          2HB       GLU   2   8.344   3.614   7.412
   11   2HB   GLU   2          1HB       GLU   2   7.530   2.070   7.192
   12   1HG   GLU   2          2HG       GLU   2   9.428   0.911   7.362
   13   2HG   GLU   2          1HG       GLU   2  10.325   2.047   6.356
   14    HA   PRO   3           HA       PRO   3   4.298   2.557   3.920
   15   1HB   PRO   3          2HB       PRO   3   3.509   0.016   4.205
   16   2HB   PRO   3          1HB       PRO   3   4.713   0.441   2.995
   17   1HG   PRO   3          2HG       PRO   3   5.075  -0.873   5.633
   18   2HG   PRO   3          1HG       PRO   3   5.947  -1.140   4.115
   19   1HD   PRO   3          2HD       PRO   3   6.815   0.428   6.279
   20   2HD   PRO   3          1HD       PRO   3   7.504   0.422   4.644
   21    H    TRP   4           H        TRP   4   4.902   0.647   6.888
   22    HA   TRP   4           HA       TRP   4   3.930   0.786   8.962
   23   1HB   TRP   4          2HB       TRP   4   3.154   3.235   7.904
   24   2HB   TRP   4          1HB       TRP   4   1.623   2.464   8.308
   25    HD1  TRP   4           HD1      TRP   4   4.411   4.378   9.836
   26    HE1  TRP   4           HE1      TRP   4   4.152   4.445  12.396
   27    HE3  TRP   4           HE3      TRP   4   0.784   0.814  10.380
   28    HZ2  TRP   4           HZ2      TRP   4   2.614   3.159  14.383
   29    HZ3  TRP   4           HZ3      TRP   4  -0.025   0.292  12.645
   30    HH2  TRP   4           HH2      TRP   4   0.872   1.441  14.603
   31    H    PHE   5           H        PHE   5   3.419  -1.375   8.571
   32    HA   PHE   5           HA       PHE   5   1.126  -2.198   7.121
   33   1HB   PHE   5          2HB       PHE   5   1.583  -4.423   8.081
   34   2HB   PHE   5          1HB       PHE   5   3.033  -3.680   7.412
   35    HD1  PHE   5           HD1      PHE   5   1.318  -4.713  10.472
   36    HD2  PHE   5           HD2      PHE   5   4.847  -2.985   8.837
   37    HE1  PHE   5           HE1      PHE   5   2.474  -5.050  12.618
   38    HE2  PHE   5           HE2      PHE   5   6.009  -3.319  10.980
   39    HZ   PHE   5           HZ       PHE   5   4.822  -4.353  12.874
   40    H    PHE   6           H        PHE   6  -0.915  -2.317   7.684
   41    HA   PHE   6           HA       PHE   6  -1.639  -2.493  10.524
   42   1HB   PHE   6          2HB       PHE   6  -1.940  -0.158   9.000
   43   2HB   PHE   6          1HB       PHE   6  -3.544  -0.881   9.041
   44    HD1  PHE   6           HD1      PHE   6  -4.067  -1.889  11.538
   45    HD2  PHE   6           HD2      PHE   6  -1.569   1.427  10.601
   46    HE1  PHE   6           HE1      PHE   6  -4.414  -0.992  13.802
   47    HE2  PHE   6           HE2      PHE   6  -1.912   2.330  12.864
   48    HZ   PHE   6           HZ       PHE   6  -3.336   1.119  14.468
   49    H    GLY   7           H        GLY   7  -2.378  -4.570  10.440
   50   1HA   GLY   7          2HA       GLY   7  -3.989  -5.472   8.220
   51   2HA   GLY   7          1HA       GLY   7  -3.491  -6.427   9.607
   52    H    CYS   8           H        CYS   8  -4.888  -3.432  10.456
   53    HA   CYS   8           HA       CYS   8  -7.467  -4.758  10.812
   54   1HB   CYS   8          2HB       CYS   8  -5.815  -4.310  12.884
   55   2HB   CYS   8          1HB       CYS   8  -6.677  -2.776  12.866
   56    HG   CYS   8           HG       CYS   8  -7.848  -5.483  13.683
   57    H    ILE   9           H        ILE   9  -5.921  -2.179   9.421
   58    HA   ILE   9           HA       ILE   9  -7.851  -0.118   9.880
   59    HB   ILE   9           HB       ILE   9  -6.782   1.027   7.950
   60   1HG1  ILE   9          2HG1      ILE   9  -5.123  -1.493   7.851
   61   2HG1  ILE   9          1HG1      ILE   9  -6.201  -0.894   6.599
   62   1HG2  ILE   9          1HG2      ILE   9  -5.744   1.697   9.860
   63   2HG2  ILE   9          2HG2      ILE   9  -4.379   0.924   9.056
   64   3HG2  ILE   9          3HG2      ILE   9  -5.268   0.060  10.310
   65   1HD1  ILE   9          1HD1      ILE   9  -3.449  -0.193   7.195
   66   2HD1  ILE   9          2HD1      ILE   9  -4.501   1.206   6.974
   67   3HD1  ILE   9          3HD1      ILE   9  -4.381  -0.017   5.709
   68    H    SER  10           H        SER  10  -9.605   0.465   8.686
   69    HA   SER  10           HA       SER  10 -10.529  -1.477   6.705
   70   1HB   SER  10          2HB       SER  10 -12.712  -0.730   7.126
   71   2HB   SER  10          1HB       SER  10 -11.941  -0.620   8.708
   72    HG   SER  10           HG       SER  10 -13.211   1.266   7.868
   73    H    ARG  11           H        ARG  11 -11.594  -0.655   4.727
   74    HA   ARG  11           HA       ARG  11  -9.926   0.937   3.210
   75   1HB   ARG  11          2HB       ARG  11 -11.755  -0.625   2.396
   76   2HB   ARG  11          1HB       ARG  11 -12.882   0.689   2.700
   77   1HG   ARG  11          2HG       ARG  11 -12.432   1.560   0.720
   78   2HG   ARG  11          1HG       ARG  11 -10.727   1.707   1.153
   79   1HD   ARG  11          2HD       ARG  11 -10.387  -0.640   0.456
   80   2HD   ARG  11          1HD       ARG  11 -12.073  -0.708  -0.055
   81    HE   ARG  11           HE       ARG  11  -9.885   0.539  -1.443
   82   1HH1  ARG  11          2HH1      ARG  11 -13.349   0.496  -1.012
   83   2HH1  ARG  11          1HH1      ARG  11 -13.676   1.180  -2.568
   84   1HH2  ARG  11          1HH2      ARG  11 -10.314   1.439  -3.490
   85   2HH2  ARG  11          2HH2      ARG  11 -11.954   1.719  -3.974
   86    H    SER  12           H        SER  12 -12.504   1.827   5.296
   87    HA   SER  12           HA       SER  12 -12.890   4.479   4.372
   88   1HB   SER  12          2HB       SER  12 -14.405   3.046   5.912
   89   2HB   SER  12          1HB       SER  12 -13.373   3.629   7.218
   90    HG   SER  12           HG       SER  12 -14.529   5.370   7.170
   91    H    GLU  13           H        GLU  13 -10.706   3.011   6.697
   92    HA   GLU  13           HA       GLU  13  -9.764   5.514   7.735
   93   1HB   GLU  13          2HB       GLU  13  -8.262   2.923   7.947
   94   2HB   GLU  13          1HB       GLU  13  -8.294   4.271   9.073
   95   1HG   GLU  13          2HG       GLU  13 -10.509   2.304   8.548
   96   2HG   GLU  13          1HG       GLU  13  -9.516   2.426   9.999
   97    H    ALA  14           H        ALA  14  -8.376   3.049   5.564
   98    HA   ALA  14           HA       ALA  14  -5.964   4.355   5.076
   99   1HB   ALA  14          1HB       ALA  14  -6.259   2.048   4.477
  100   2HB   ALA  14          2HB       ALA  14  -5.852   2.963   3.025
  101   3HB   ALA  14          3HB       ALA  14  -7.519   2.465   3.315
  102    H    VAL  15           H        VAL  15  -9.134   5.124   3.961
  103    HA   VAL  15           HA       VAL  15  -8.221   6.601   1.650
  104    HB   VAL  15           HB       VAL  15 -10.927   6.580   3.003
  105   1HG1  VAL  15          1HG1      VAL  15 -11.222   8.492   1.858
  106   2HG1  VAL  15          2HG1      VAL  15 -11.386   7.422   0.464
  107   3HG1  VAL  15          3HG1      VAL  15  -9.837   8.193   0.806
  108   1HG2  VAL  15          1HG2      VAL  15  -9.790   4.557   1.607
  109   2HG2  VAL  15          2HG2      VAL  15 -10.599   5.443   0.315
  110   3HG2  VAL  15          3HG2      VAL  15 -11.526   4.852   1.694
  111    H    ARG  16           H        ARG  16  -9.478   7.394   4.883
  112    HA   ARG  16           HA       ARG  16  -8.942  10.207   4.503
  113   1HB   ARG  16          2HB       ARG  16  -9.808  10.487   6.765
  114   2HB   ARG  16          1HB       ARG  16 -10.897   9.490   5.808
  115   1HG   ARG  16          2HG       ARG  16  -9.594   7.509   6.867
  116   2HG   ARG  16          1HG       ARG  16  -9.110   8.709   8.067
  117   1HD   ARG  16          2HD       ARG  16 -11.120   7.455   8.741
  118   2HD   ARG  16          1HD       ARG  16 -11.423   9.184   8.580
  119    HE   ARG  16           HE       ARG  16 -12.043   7.889   6.158
  120   1HH1  ARG  16          2HH1      ARG  16 -13.226   8.213   9.425
  121   2HH1  ARG  16          1HH1      ARG  16 -14.879   7.936   8.987
  122   1HH2  ARG  16          1HH2      ARG  16 -14.217   7.525   5.580
  123   2HH2  ARG  16          2HH2      ARG  16 -15.441   7.547   6.805
  124    H    ARG  17           H        ARG  17  -7.327   7.471   5.693
  125    HA   ARG  17           HA       ARG  17  -5.502   8.778   7.450
  126   1HB   ARG  17          2HB       ARG  17  -6.034   6.381   7.661
  127   2HB   ARG  17          1HB       ARG  17  -5.300   6.081   6.092
  128   1HG   ARG  17          2HG       ARG  17  -3.157   6.394   6.884
  129   2HG   ARG  17          1HG       ARG  17  -3.694   7.361   8.258
  130   1HD   ARG  17          2HD       ARG  17  -4.924   5.045   8.829
  131   2HD   ARG  17          1HD       ARG  17  -3.530   4.426   7.943
  132    HE   ARG  17           HE       ARG  17  -2.185   5.027   9.698
  133   1HH1  ARG  17          2HH1      ARG  17  -5.295   6.564  10.071
  134   2HH1  ARG  17          1HH1      ARG  17  -4.961   7.137  11.671
  135   1HH2  ARG  17          1HH2      ARG  17  -1.742   5.779  11.803
  136   2HH2  ARG  17          2HH2      ARG  17  -2.943   6.693  12.653
  137    H    LEU  18           H        LEU  18  -5.286   7.532   4.139
  138    HA   LEU  18           HA       LEU  18  -2.626   8.349   3.711
  139   1HB   LEU  18          2HB       LEU  18  -4.844   7.424   1.995
  140   2HB   LEU  18          1HB       LEU  18  -3.459   8.177   1.228
  141    HG   LEU  18           HG       LEU  18  -3.272   5.738   1.262
  142   1HD1  LEU  18          1HD1      LEU  18  -1.313   7.457   1.665
  143   2HD1  LEU  18          2HD1      LEU  18  -1.035   5.717   1.734
  144   3HD1  LEU  18          3HD1      LEU  18  -1.228   6.638   3.223
  145   1HD2  LEU  18          1HD2      LEU  18  -3.654   4.469   3.061
  146   2HD2  LEU  18          2HD2      LEU  18  -4.384   5.906   3.768
  147   3HD2  LEU  18          3HD2      LEU  18  -2.702   5.519   4.107
  148    H    GLN  19           H        GLN  19  -5.694   9.795   2.917
  149    HA   GLN  19           HA       GLN  19  -4.578  12.065   1.598
  150   1HB   GLN  19          2HB       GLN  19  -6.836  12.944   1.550
  151   2HB   GLN  19          1HB       GLN  19  -6.837  11.247   1.092
  152   1HG   GLN  19          2HG       GLN  19  -8.525  11.089   2.531
  153   2HG   GLN  19          1HG       GLN  19  -7.256  11.061   3.755
  154   1HE2  GLN  19          1HE2      GLN  19  -9.570  13.102   2.086
  155   2HE2  GLN  19          2HE2      GLN  19  -9.657  14.324   3.304
  156    H    ALA  20           H        ALA  20  -4.906  11.260   4.884
  157    HA   ALA  20           HA       ALA  20  -5.507  13.618   6.170
  158   1HB   ALA  20          1HB       ALA  20  -4.706  12.628   8.041
  159   2HB   ALA  20          2HB       ALA  20  -3.196  12.145   7.270
  160   3HB   ALA  20          3HB       ALA  20  -4.664  11.206   6.999
  161    H    GLU  21           H        GLU  21  -3.747  14.970   7.446
  162    HA   GLU  21           HA       GLU  21  -2.046  16.084   5.389
  163   1HB   GLU  21          2HB       GLU  21  -2.545  17.131   8.172
  164   2HB   GLU  21          1HB       GLU  21  -1.729  17.994   6.874
  165   1HG   GLU  21          2HG       GLU  21  -4.426  17.048   6.221
  166   2HG   GLU  21          1HG       GLU  21  -4.347  18.259   7.500
  167    H    GLY  22           H        GLY  22  -1.591  13.620   7.032
  168   1HA   GLY  22          2HA       GLY  22   1.068  14.205   8.117
  169   2HA   GLY  22          1HA       GLY  22   0.162  12.719   8.371
  170    H    ASN  23           H        ASN  23  -0.369  13.215   5.270
  171    HA   ASN  23           HA       ASN  23   1.987  11.670   4.419
  172   1HB   ASN  23          2HB       ASN  23  -0.851  11.703   3.402
  173   2HB   ASN  23          1HB       ASN  23   0.464  10.845   2.606
  174   1HD2  ASN  23          1HD2      ASN  23  -0.872   8.963   2.964
  175   2HD2  ASN  23          2HD2      ASN  23  -0.813   8.157   4.491
  176    H    ALA  24           H        ALA  24   3.289  12.450   2.928
  177    HA   ALA  24           HA       ALA  24   2.422  14.835   1.446
  178   1HB   ALA  24          1HB       ALA  24   4.247  15.675   2.487
  179   2HB   ALA  24          2HB       ALA  24   5.093  14.897   1.150
  180   3HB   ALA  24          3HB       ALA  24   4.981  14.087   2.713
  181    H    THR  25           H        THR  25   1.416  12.890   0.251
  182    HA   THR  25           HA       THR  25   1.242  11.665  -1.620
  183    HB   THR  25           HB       THR  25   2.609  12.351  -3.582
  184    HG1  THR  25           HG1      THR  25   4.429  12.959  -2.006
  185   1HG2  THR  25          1HG2      THR  25   1.674  14.460  -3.869
  186   2HG2  THR  25          2HG2      THR  25   1.750  14.833  -2.146
  187   3HG2  THR  25          3HG2      THR  25   0.581  13.657  -2.743
  188    H    GLY  26           H        GLY  26   1.825   9.703  -2.338
  189   1HA   GLY  26          2HA       GLY  26   3.231   7.868  -2.744
  190   2HA   GLY  26          1HA       GLY  26   4.557   8.739  -1.981
  191    H    ALA  27           H        ALA  27   2.698   9.410   0.315
  192    HA   ALA  27           HA       ALA  27   3.476   7.553   2.158
  193   1HB   ALA  27          1HB       ALA  27   2.388   9.668   2.736
  194   2HB   ALA  27          2HB       ALA  27   1.602   8.308   3.539
  195   3HB   ALA  27          3HB       ALA  27   0.858   9.047   2.121
  196    H    PHE  28           H        PHE  28   3.071   5.432   2.407
  197    HA   PHE  28           HA       PHE  28   0.570   4.356   1.247
  198   1HB   PHE  28          2HB       PHE  28   2.021   2.337   0.678
  199   2HB   PHE  28          1HB       PHE  28   2.274   3.791  -0.281
  200    HD1  PHE  28           HD1      PHE  28   4.170   5.381   0.568
  201    HD2  PHE  28           HD2      PHE  28   3.845   1.279   1.591
  202    HE1  PHE  28           HE1      PHE  28   6.551   5.343   1.141
  203    HE2  PHE  28           HE2      PHE  28   6.237   1.236   2.176
  204    HZ   PHE  28           HZ       PHE  28   7.594   3.271   1.949
  205    H    LEU  29           H        LEU  29   0.161   2.132   2.076
  206    HA   LEU  29           HA       LEU  29   1.192   1.466   4.680
  207   1HB   LEU  29          2HB       LEU  29  -1.086   1.485   5.724
  208   2HB   LEU  29          1HB       LEU  29  -0.367   3.053   5.445
  209    HG   LEU  29           HG       LEU  29  -2.275   3.688   4.481
  210   1HD1  LEU  29          1HD1      LEU  29  -1.387   3.377   2.357
  211   2HD1  LEU  29          2HD1      LEU  29  -2.972   2.616   2.306
  212   3HD1  LEU  29          3HD1      LEU  29  -1.537   1.628   2.455
  213   1HD2  LEU  29          1HD2      LEU  29  -3.635   2.245   5.642
  214   2HD2  LEU  29          2HD2      LEU  29  -2.952   0.817   4.865
  215   3HD2  LEU  29          3HD2      LEU  29  -4.051   1.867   3.971
  216    H    ILE  30           H        ILE  30   0.746  -0.688   5.272
  217    HA   ILE  30           HA       ILE  30  -0.627  -2.195   3.138
  218    HB   ILE  30           HB       ILE  30   1.432  -3.451   4.904
  219   1HG1  ILE  30          2HG1      ILE  30   2.017  -1.269   3.250
  220   2HG1  ILE  30          1HG1      ILE  30   3.169  -2.422   3.903
  221   1HG2  ILE  30          1HG2      ILE  30   1.520  -5.102   3.232
  222   2HG2  ILE  30          2HG2      ILE  30   0.699  -4.070   2.057
  223   3HG2  ILE  30          3HG2      ILE  30  -0.189  -4.721   3.429
  224   1HD1  ILE  30          1HD1      ILE  30   3.196  -1.923   1.394
  225   2HD1  ILE  30          2HD1      ILE  30   1.764  -2.948   1.316
  226   3HD1  ILE  30          3HD1      ILE  30   3.288  -3.603   1.913
  227    H    ARG  31           H        ARG  31  -2.449  -3.089   3.699
  228    HA   ARG  31           HA       ARG  31  -2.817  -3.927   6.498
  229   1HB   ARG  31          2HB       ARG  31  -5.157  -3.379   6.307
  230   2HB   ARG  31          1HB       ARG  31  -4.223  -1.985   5.785
  231   1HG   ARG  31          2HG       ARG  31  -4.534  -2.959   3.423
  232   2HG   ARG  31          1HG       ARG  31  -5.842  -3.882   4.163
  233   1HD   ARG  31          2HD       ARG  31  -7.134  -2.031   4.514
  234   2HD   ARG  31          1HD       ARG  31  -5.743  -0.963   4.693
  235    HE   ARG  31           HE       ARG  31  -7.208  -1.416   2.329
  236   1HH1  ARG  31          2HH1      ARG  31  -3.938  -0.969   3.462
  237   2HH1  ARG  31          1HH1      ARG  31  -3.361  -0.375   1.942
  238   1HH2  ARG  31          1HH2      ARG  31  -6.449  -0.644   0.327
  239   2HH2  ARG  31          2HH2      ARG  31  -4.786  -0.188   0.163
  240    H    VAL  32           H        VAL  32  -4.913  -5.489   6.487
  241    HA   VAL  32           HA       VAL  32  -4.096  -7.695   4.766
  242    HB   VAL  32           HB       VAL  32  -5.548  -9.100   6.142
  243   1HG1  VAL  32          1HG1      VAL  32  -3.556  -9.168   7.197
  244   2HG1  VAL  32          2HG1      VAL  32  -4.430  -8.293   8.455
  245   3HG1  VAL  32          3HG1      VAL  32  -3.429  -7.412   7.301
  246   1HG2  VAL  32          1HG2      VAL  32  -6.415  -7.808   8.293
  247   2HG2  VAL  32          2HG2      VAL  32  -7.391  -7.948   6.832
  248   3HG2  VAL  32          3HG2      VAL  32  -6.487  -6.469   7.149
  249    H    SER  33           H        SER  33  -5.614  -8.942   3.565
  250    HA   SER  33           HA       SER  33  -7.170  -7.516   1.804
  251   1HB   SER  33          2HB       SER  33  -8.370  -9.891   1.584
  252   2HB   SER  33          1HB       SER  33  -6.733  -9.611   0.991
  253    HG   SER  33           HG       SER  33  -7.293 -10.565   3.599
  254    H    GLU  34           H        GLU  34  -8.756  -6.181   2.393
  255    HA   GLU  34           HA       GLU  34 -10.706  -7.013   4.403
  256   1HB   GLU  34          2HB       GLU  34 -11.571  -4.692   4.142
  257   2HB   GLU  34          1HB       GLU  34  -9.890  -4.770   4.648
  258   1HG   GLU  34          2HG       GLU  34  -9.272  -3.534   2.925
  259   2HG   GLU  34          1HG       GLU  34  -9.996  -4.683   1.802
  260    H    LYS  35           H        LYS  35 -10.438  -8.099   1.635
  261    HA   LYS  35           HA       LYS  35 -13.132  -8.508   1.069
  262   1HB   LYS  35          2HB       LYS  35 -12.841  -7.393  -1.357
  263   2HB   LYS  35          1HB       LYS  35 -13.599  -6.576  -0.003
  264   1HG   LYS  35          2HG       LYS  35 -11.003  -5.865   0.354
  265   2HG   LYS  35          1HG       LYS  35 -11.090  -5.997  -1.402
  266   1HD   LYS  35          2HD       LYS  35 -12.886  -4.332   0.359
  267   2HD   LYS  35          1HD       LYS  35 -11.602  -3.733  -0.692
  268   1HE   LYS  35          2HE       LYS  35 -13.316  -5.362  -2.259
  269   2HE   LYS  35          1HE       LYS  35 -14.327  -4.260  -1.326
  270   1HZ   LYS  35          1HZ       LYS  35 -12.669  -2.489  -2.140
  271   2HZ   LYS  35          2HZ       LYS  35 -13.842  -3.056  -3.218
  272   3HZ   LYS  35          3HZ       LYS  35 -12.253  -3.627  -3.321
  273    HA   PRO  36           HA       PRO  36 -10.187 -10.428  -2.388
  274   1HB   PRO  36          2HB       PRO  36  -7.657 -10.302  -0.831
  275   2HB   PRO  36          1HB       PRO  36  -7.921 -10.094  -2.565
  276   1HG   PRO  36          2HG       PRO  36  -7.396  -7.996  -1.038
  277   2HG   PRO  36          1HG       PRO  36  -8.614  -7.887  -2.324
  278   1HD   PRO  36          2HD       PRO  36  -8.999  -8.229   0.626
  279   2HD   PRO  36          1HD       PRO  36  -9.874  -7.186  -0.507
  280    H    SER  37           H        SER  37  -8.229 -12.333  -1.764
  281    HA   SER  37           HA       SER  37  -9.376 -13.835   0.486
  282   1HB   SER  37          2HB       SER  37 -10.069 -14.457  -2.054
  283   2HB   SER  37          1HB       SER  37  -8.608 -15.431  -1.890
  284    HG   SER  37           HG       SER  37 -10.363 -16.632  -1.190
  285    H    ALA  38           H        ALA  38  -7.711 -13.932   1.862
  286    HA   ALA  38           HA       ALA  38  -5.645 -14.339   2.731
  287   1HB   ALA  38          1HB       ALA  38  -5.652 -16.562   2.298
  288   2HB   ALA  38          2HB       ALA  38  -4.333 -16.114   1.218
  289   3HB   ALA  38          3HB       ALA  38  -5.960 -16.340   0.577
  290    H    ASP  39           H        ASP  39  -5.459 -12.000   1.775
  291    HA   ASP  39           HA       ASP  39  -2.854 -11.874   0.501
  292   1HB   ASP  39          2HB       ASP  39  -5.162 -10.340  -0.706
  293   2HB   ASP  39          1HB       ASP  39  -3.518 -10.468  -1.322
  294    H    TYR  40           H        TYR  40  -2.780  -9.156  -0.043
  295    HA   TYR  40           HA       TYR  40  -3.609  -7.783   2.402
  296   1HB   TYR  40          2HB       TYR  40  -0.794  -8.388   1.626
  297   2HB   TYR  40          1HB       TYR  40  -1.105  -6.723   2.106
  298    HD1  TYR  40           HD1      TYR  40  -1.992 -10.155   3.294
  299    HD2  TYR  40           HD2      TYR  40  -0.759  -6.221   4.334
  300    HE1  TYR  40           HE1      TYR  40  -1.862 -10.829   5.654
  301    HE2  TYR  40           HE2      TYR  40  -0.621  -6.884   6.699
  302    HH   TYR  40           HH       TYR  40  -0.389  -8.868   8.047
  303    H    VAL  41           H        VAL  41  -3.945  -5.608   2.111
  304    HA   VAL  41           HA       VAL  41  -3.745  -4.760  -0.708
  305    HB   VAL  41           HB       VAL  41  -5.626  -3.101   0.021
  306   1HG1  VAL  41          1HG1      VAL  41  -6.314  -4.511  -1.625
  307   2HG1  VAL  41          2HG1      VAL  41  -7.247  -5.218  -0.306
  308   3HG1  VAL  41          3HG1      VAL  41  -5.720  -5.949  -0.797
  309   1HG2  VAL  41          1HG2      VAL  41  -6.741  -5.179   1.733
  310   2HG2  VAL  41          2HG2      VAL  41  -6.644  -3.440   1.996
  311   3HG2  VAL  41          3HG2      VAL  41  -5.284  -4.471   2.420
  312    H    LEU  42           H        LEU  42  -2.794  -2.895  -1.207
  313    HA   LEU  42           HA       LEU  42  -1.773  -1.294   1.034
  314   1HB   LEU  42          2HB       LEU  42   0.035  -2.452  -0.043
  315   2HB   LEU  42          1HB       LEU  42  -0.500  -1.908  -1.622
  316    HG   LEU  42           HG       LEU  42  -0.100   0.486  -0.628
  317   1HD1  LEU  42          1HD1      LEU  42   2.181  -0.408   0.833
  318   2HD1  LEU  42          2HD1      LEU  42   0.740  -1.151   1.522
  319   3HD1  LEU  42          3HD1      LEU  42   0.846   0.602   1.372
  320   1HD2  LEU  42          1HD2      LEU  42   1.919   0.526  -1.737
  321   2HD2  LEU  42          2HD2      LEU  42   1.147  -0.897  -2.439
  322   3HD2  LEU  42          3HD2      LEU  42   2.378  -1.087  -1.189
  323    H    SER  43           H        SER  43  -2.104   0.845   1.000
  324    HA   SER  43           HA       SER  43  -3.249   2.014  -1.426
  325   1HB   SER  43          2HB       SER  43  -5.061   2.661  -0.398
  326   2HB   SER  43          1HB       SER  43  -4.545   1.745   1.015
  327    HG   SER  43           HG       SER  43  -4.995   4.075   1.305
  328    H    VAL  44           H        VAL  44  -3.088   4.353  -1.535
  329    HA   VAL  44           HA       VAL  44  -0.830   5.487  -0.096
  330    HB   VAL  44           HB       VAL  44   0.114   4.159  -2.021
  331   1HG1  VAL  44          1HG1      VAL  44  -1.716   4.804  -3.612
  332   2HG1  VAL  44          2HG1      VAL  44  -0.079   4.967  -4.247
  333   3HG1  VAL  44          3HG1      VAL  44  -0.966   6.396  -3.717
  334   1HG2  VAL  44          1HG2      VAL  44   1.372   6.394  -2.860
  335   2HG2  VAL  44          2HG2      VAL  44   1.723   5.567  -1.344
  336   3HG2  VAL  44          3HG2      VAL  44   0.656   6.970  -1.355
  337    H    ARG  45           H        ARG  45  -0.836   7.682  -0.015
  338    HA   ARG  45           HA       ARG  45  -3.194   9.067  -0.741
  339   1HB   ARG  45          2HB       ARG  45  -1.649   9.743   1.124
  340   2HB   ARG  45          1HB       ARG  45  -0.490  10.263  -0.091
  341   1HG   ARG  45          2HG       ARG  45  -2.581  11.663  -0.933
  342   2HG   ARG  45          1HG       ARG  45  -3.032  11.512   0.764
  343   1HD   ARG  45          2HD       ARG  45  -0.673  12.310   1.291
  344   2HD   ARG  45          1HD       ARG  45  -0.570  12.760  -0.411
  345    HE   ARG  45           HE       ARG  45  -2.824  13.801   1.115
  346   1HH1  ARG  45          2HH1      ARG  45   0.315  14.394  -0.304
  347   2HH1  ARG  45          1HH1      ARG  45   0.141  16.114  -0.264
  348   1HH2  ARG  45          1HH2      ARG  45  -3.045  16.061   1.165
  349   2HH2  ARG  45          2HH2      ARG  45  -1.762  17.061   0.570
  350    H    ASP  46           H        ASP  46  -0.451   8.097  -2.407
  351    HA   ASP  46           HA       ASP  46   0.395   8.524  -4.469
  352   1HB   ASP  46          2HB       ASP  46  -2.396   8.326  -4.715
  353   2HB   ASP  46          1HB       ASP  46  -1.904   9.641  -5.774
  354    H    THR  47           H        THR  47  -1.865  11.096  -5.015
  355    HA   THR  47           HA       THR  47   0.282  13.054  -4.623
  356    HB   THR  47           HB       THR  47   0.091  12.548  -7.012
  357    HG1  THR  47           HG1      THR  47   0.665  14.596  -6.838
  358   1HG2  THR  47          1HG2      THR  47  -2.521  12.167  -6.715
  359   2HG2  THR  47          2HG2      THR  47  -1.791  12.626  -8.254
  360   3HG2  THR  47          3HG2      THR  47  -2.547  13.852  -7.237
  361    H    GLN  48           H        GLN  48  -2.856  12.173  -3.907
  362    HA   GLN  48           HA       GLN  48  -3.428  14.224  -2.205
  363   1HB   GLN  48          2HB       GLN  48  -3.941  14.968  -4.985
  364   2HB   GLN  48          1HB       GLN  48  -5.345  15.171  -3.945
  365   1HG   GLN  48          2HG       GLN  48  -3.122  16.228  -2.565
  366   2HG   GLN  48          1HG       GLN  48  -3.058  16.839  -4.217
  367   1HE2  GLN  48          1HE2      GLN  48  -5.634  16.144  -1.873
  368   2HE2  GLN  48          2HE2      GLN  48  -6.411  17.680  -2.013
  369    H    ALA  49           H        ALA  49  -4.675  12.019  -4.542
  370    HA   ALA  49           HA       ALA  49  -6.996  11.453  -2.824
  371   1HB   ALA  49          1HB       ALA  49  -8.156  10.655  -4.705
  372   2HB   ALA  49          2HB       ALA  49  -6.683  10.526  -5.666
  373   3HB   ALA  49          3HB       ALA  49  -7.338  12.115  -5.264
  374    H    VAL  50           H        VAL  50  -7.182   9.499  -1.865
  375    HA   VAL  50           HA       VAL  50  -4.943   7.795  -1.739
  376    HB   VAL  50           HB       VAL  50  -7.776   7.220  -0.858
  377   1HG1  VAL  50          1HG1      VAL  50  -5.164   5.823  -0.287
  378   2HG1  VAL  50          2HG1      VAL  50  -6.614   5.145  -1.027
  379   3HG1  VAL  50          3HG1      VAL  50  -6.621   5.591   0.680
  380   1HG2  VAL  50          1HG2      VAL  50  -5.440   8.566   0.435
  381   2HG2  VAL  50          2HG2      VAL  50  -6.639   7.720   1.411
  382   3HG2  VAL  50          3HG2      VAL  50  -7.130   9.065   0.383
  383    H    ARG  51           H        ARG  51  -4.424   5.963  -2.702
  384    HA   ARG  51           HA       ARG  51  -6.302   4.803  -4.643
  385   1HB   ARG  51          2HB       ARG  51  -3.315   5.157  -4.982
  386   2HB   ARG  51          1HB       ARG  51  -4.365   4.295  -6.098
  387   1HG   ARG  51          2HG       ARG  51  -5.660   6.544  -6.203
  388   2HG   ARG  51          1HG       ARG  51  -4.157   7.225  -5.577
  389   1HD   ARG  51          2HD       ARG  51  -3.096   6.972  -7.534
  390   2HD   ARG  51          1HD       ARG  51  -3.766   5.362  -7.794
  391    HE   ARG  51           HE       ARG  51  -4.659   7.754  -8.982
  392   1HH1  ARG  51          2HH1      ARG  51  -5.902   4.824  -7.547
  393   2HH1  ARG  51          1HH1      ARG  51  -7.363   4.842  -8.474
  394   1HH2  ARG  51          1HH2      ARG  51  -6.582   7.779 -10.201
  395   2HH2  ARG  51          2HH2      ARG  51  -7.751   6.520  -9.980
  396    H    HIS  52           H        HIS  52  -6.899   2.954  -3.690
  397    HA   HIS  52           HA       HIS  52  -5.054   1.510  -1.999
  398   1HB   HIS  52          2HB       HIS  52  -7.900   0.831  -2.817
  399   2HB   HIS  52          1HB       HIS  52  -6.977   0.061  -1.522
  400    HD1  HIS  52           HD1      HIS  52  -6.406   1.533   0.537
  401    HD2  HIS  52           HD2      HIS  52  -9.042   3.275  -2.142
  402    HE1  HIS  52           HE1      HIS  52  -7.138   3.649   1.621
  403    HE2  HIS  52           HE2      HIS  52  -8.670   4.745  -0.046
  404    H    TYR  53           H        TYR  53  -4.682  -0.841  -2.293
  405    HA   TYR  53           HA       TYR  53  -4.932  -1.790  -5.036
  406   1HB   TYR  53          2HB       TYR  53  -2.228  -1.588  -3.715
  407   2HB   TYR  53          1HB       TYR  53  -2.575  -2.109  -5.361
  408    HD1  TYR  53           HD1      TYR  53  -3.724  -0.354  -6.885
  409    HD2  TYR  53           HD2      TYR  53  -1.650   0.643  -3.308
  410    HE1  TYR  53           HE1      TYR  53  -3.421   1.940  -7.713
  411    HE2  TYR  53           HE2      TYR  53  -1.347   2.941  -4.124
  412    HH   TYR  53           HH       TYR  53  -1.330   4.190  -6.150
  413    H    LYS  54           H        LYS  54  -4.944  -3.960  -5.240
  414    HA   LYS  54           HA       LYS  54  -5.003  -5.534  -2.795
  415   1HB   LYS  54          2HB       LYS  54  -6.754  -5.744  -4.615
  416   2HB   LYS  54          1HB       LYS  54  -5.508  -6.458  -5.628
  417   1HG   LYS  54          2HG       LYS  54  -5.267  -8.312  -4.128
  418   2HG   LYS  54          1HG       LYS  54  -6.368  -7.568  -2.967
  419   1HD   LYS  54          2HD       LYS  54  -7.444  -9.343  -4.307
  420   2HD   LYS  54          1HD       LYS  54  -8.206  -7.767  -4.525
  421   1HE   LYS  54          2HE       LYS  54  -6.084  -8.165  -6.440
  422   2HE   LYS  54          1HE       LYS  54  -7.254  -9.481  -6.514
  423   1HZ   LYS  54          1HZ       LYS  54  -7.580  -6.670  -7.183
  424   2HZ   LYS  54          2HZ       LYS  54  -8.894  -7.406  -6.413
  425   3HZ   LYS  54          3HZ       LYS  54  -8.304  -8.038  -7.867
  426    H    ILE  55           H        ILE  55  -3.204  -6.431  -2.079
  427    HA   ILE  55           HA       ILE  55  -1.045  -7.028  -3.976
  428    HB   ILE  55           HB       ILE  55  -0.623  -7.332  -1.062
  429   1HG1  ILE  55          2HG1      ILE  55  -0.345  -4.547  -2.096
  430   2HG1  ILE  55          1HG1      ILE  55  -1.945  -5.084  -1.600
  431   1HG2  ILE  55          1HG2      ILE  55   0.951  -7.139  -3.382
  432   2HG2  ILE  55          2HG2      ILE  55   1.481  -7.366  -1.717
  433   3HG2  ILE  55          3HG2      ILE  55   1.329  -5.740  -2.378
  434   1HD1  ILE  55          1HD1      ILE  55  -0.924  -5.745   0.589
  435   2HD1  ILE  55          2HD1      ILE  55  -0.964  -4.019   0.258
  436   3HD1  ILE  55          3HD1      ILE  55   0.536  -4.915   0.072
  437    H    TRP  56           H        TRP  56  -1.688  -8.974  -4.805
  438    HA   TRP  56           HA       TRP  56  -2.632 -11.084  -3.079
  439   1HB   TRP  56          2HB       TRP  56  -3.313 -10.463  -5.557
  440   2HB   TRP  56          1HB       TRP  56  -1.984 -11.547  -5.954
  441    HD1  TRP  56           HD1      TRP  56  -2.298 -13.991  -4.249
  442    HE1  TRP  56           HE1      TRP  56  -4.410 -15.455  -4.236
  443    HE3  TRP  56           HE3      TRP  56  -5.655 -10.590  -6.067
  444    HZ2  TRP  56           HZ2      TRP  56  -7.137 -15.207  -4.908
  445    HZ3  TRP  56           HZ3      TRP  56  -7.998 -11.288  -6.353
  446    HH2  TRP  56           HH2      TRP  56  -8.721 -13.548  -5.786
  447    H    ARG  57           H        ARG  57  -1.657 -13.021  -2.666
  448    HA   ARG  57           HA       ARG  57   1.236 -13.007  -2.719
  449   1HB   ARG  57          2HB       ARG  57   0.076 -13.698  -0.684
  450   2HB   ARG  57          1HB       ARG  57  -0.744 -14.981  -1.563
  451   1HG   ARG  57          2HG       ARG  57   1.381 -16.100  -1.946
  452   2HG   ARG  57          1HG       ARG  57   2.230 -14.795  -1.113
  453   1HD   ARG  57          2HD       ARG  57   0.141 -15.725   0.579
  454   2HD   ARG  57          1HD       ARG  57   1.035 -17.125  -0.012
  455    HE   ARG  57           HE       ARG  57   2.774 -15.060   0.904
  456   1HH1  ARG  57          2HH1      ARG  57   0.735 -17.682   1.974
  457   2HH1  ARG  57          1HH1      ARG  57   1.618 -17.937   3.441
  458   1HH2  ARG  57          1HH2      ARG  57   3.937 -15.394   2.835
  459   2HH2  ARG  57          2HH2      ARG  57   3.437 -16.639   3.930
  460    H    ARG  58           H        ARG  58   2.415 -15.004  -3.364
  461    HA   ARG  58           HA       ARG  58   1.449 -15.889  -5.956
  462   1HB   ARG  58          2HB       ARG  58   4.075 -15.719  -4.614
  463   2HB   ARG  58          1HB       ARG  58   3.876 -17.006  -5.792
  464   1HG   ARG  58          2HG       ARG  58   3.391 -14.085  -6.330
  465   2HG   ARG  58          1HG       ARG  58   4.854 -14.972  -6.760
  466   1HD   ARG  58          2HD       ARG  58   2.078 -15.288  -7.851
  467   2HD   ARG  58          1HD       ARG  58   3.565 -14.917  -8.720
  468    HE   ARG  58           HE       ARG  58   2.599 -17.519  -7.959
  469   1HH1  ARG  58          2HH1      ARG  58   5.413 -15.644  -8.825
  470   2HH1  ARG  58          1HH1      ARG  58   6.317 -17.020  -9.363
  471   1HH2  ARG  58          1HH2      ARG  58   3.786 -19.328  -8.666
  472   2HH2  ARG  58          2HH2      ARG  58   5.395 -19.110  -9.273
  473    H    ALA  59           H        ALA  59   3.548 -17.877  -4.068
  474    HA   ALA  59           HA       ALA  59   1.458 -19.758  -3.369
  475   1HB   ALA  59          1HB       ALA  59   3.632 -20.504  -5.323
  476   2HB   ALA  59          2HB       ALA  59   1.906 -20.390  -5.665
  477   3HB   ALA  59          3HB       ALA  59   2.507 -21.635  -4.570
  478    H    GLY  60           H        GLY  60   2.667 -18.595  -1.444
  479   1HA   GLY  60          2HA       GLY  60   3.628 -20.045   0.416
  480   2HA   GLY  60          1HA       GLY  60   4.992 -20.240  -0.674
  481    H    GLY  61           H        GLY  61   4.964 -17.521  -1.647
  482   1HA   GLY  61          2HA       GLY  61   5.034 -15.580   0.344
  483   2HA   GLY  61          1HA       GLY  61   6.620 -16.336   0.322
  484    H    ARG  62           H        ARG  62   4.357 -14.339  -1.422
  485    HA   ARG  62           HA       ARG  62   6.283 -12.790  -2.666
  486   1HB   ARG  62          2HB       ARG  62   6.243 -15.223  -3.926
  487   2HB   ARG  62          1HB       ARG  62   5.135 -14.279  -4.907
  488   1HG   ARG  62          2HG       ARG  62   6.768 -12.743  -5.513
  489   2HG   ARG  62          1HG       ARG  62   7.839 -13.227  -4.197
  490   1HD   ARG  62          2HD       ARG  62   8.274 -15.341  -5.270
  491   2HD   ARG  62          1HD       ARG  62   7.089 -14.987  -6.526
  492    HE   ARG  62           HE       ARG  62   9.229 -13.064  -6.324
  493   1HH1  ARG  62          2HH1      ARG  62   8.159 -16.045  -7.795
  494   2HH1  ARG  62          1HH1      ARG  62   9.229 -15.904  -9.150
  495   1HH2  ARG  62          1HH2      ARG  62  10.635 -12.880  -8.106
  496   2HH2  ARG  62          2HH2      ARG  62  10.634 -14.109  -9.327
  497    H    LEU  63           H        LEU  63   5.185 -11.003  -2.630
  498    HA   LEU  63           HA       LEU  63   2.334 -10.963  -3.154
  499   1HB   LEU  63          2HB       LEU  63   4.299  -8.933  -2.139
  500   2HB   LEU  63          1HB       LEU  63   2.672  -8.478  -2.607
  501    HG   LEU  63           HG       LEU  63   2.919  -8.848  -0.173
  502   1HD1  LEU  63          1HD1      LEU  63   1.147 -11.041  -1.096
  503   2HD1  LEU  63          2HD1      LEU  63   0.830  -9.416  -1.703
  504   3HD1  LEU  63          3HD1      LEU  63   0.826  -9.725   0.033
  505   1HD2  LEU  63          1HD2      LEU  63   3.530 -10.864   0.758
  506   2HD2  LEU  63          2HD2      LEU  63   4.576 -10.809  -0.661
  507   3HD2  LEU  63          3HD2      LEU  63   3.105 -11.782  -0.687
  508    H    HIS  64           H        HIS  64   1.341  -9.716  -4.717
  509    HA   HIS  64           HA       HIS  64   2.901  -8.295  -6.672
  510   1HB   HIS  64          2HB       HIS  64   2.218  -9.651  -8.580
  511   2HB   HIS  64          1HB       HIS  64   3.123 -10.631  -7.433
  512    HD1  HIS  64           HD1      HIS  64  -0.189 -10.309  -9.056
  513    HD2  HIS  64           HD2      HIS  64   1.563 -12.558  -6.033
  514    HE1  HIS  64           HE1      HIS  64  -1.785 -12.204  -8.616
  515    HE2  HIS  64           HE2      HIS  64  -0.741 -13.505  -6.728
  516    H    LEU  65           H        LEU  65   1.694  -6.471  -6.446
  517    HA   LEU  65           HA       LEU  65  -1.094  -6.473  -6.062
  518   1HB   LEU  65          2HB       LEU  65   0.787  -4.310  -6.973
  519   2HB   LEU  65          1HB       LEU  65  -0.924  -4.030  -6.701
  520    HG   LEU  65           HG       LEU  65  -0.443  -4.997  -4.330
  521   1HD1  LEU  65          1HD1      LEU  65   1.749  -5.787  -4.566
  522   2HD1  LEU  65          2HD1      LEU  65   1.893  -4.301  -3.627
  523   3HD1  LEU  65          3HD1      LEU  65   2.294  -4.303  -5.343
  524   1HD2  LEU  65          1HD2      LEU  65  -0.572  -2.429  -5.412
  525   2HD2  LEU  65          2HD2      LEU  65   0.818  -2.405  -4.327
  526   3HD2  LEU  65          3HD2      LEU  65  -0.764  -2.886  -3.720
  527    H    ASN  66           H        ASN  66   0.927  -6.410  -8.845
  528    HA   ASN  66           HA       ASN  66  -1.427  -6.673 -10.575
  529   1HB   ASN  66          2HB       ASN  66  -0.068  -4.361 -10.558
  530   2HB   ASN  66          1HB       ASN  66   0.934  -5.255 -11.696
  531   1HD2  ASN  66          1HD2      ASN  66   0.401  -4.168 -13.515
  532   2HD2  ASN  66          2HD2      ASN  66  -1.184  -4.149 -14.202
  533    H    GLU  67           H        GLU  67  -0.581  -7.354 -12.885
  534    HA   GLU  67           HA       GLU  67   0.817  -9.834 -12.477
  535   1HB   GLU  67          2HB       GLU  67  -0.343  -8.543 -14.945
  536   2HB   GLU  67          1HB       GLU  67   0.425 -10.125 -14.942
  537   1HG   GLU  67          2HG       GLU  67  -1.747  -9.669 -12.986
  538   2HG   GLU  67          1HG       GLU  67  -2.196  -9.797 -14.685
  539    H    ALA  68           H        ALA  68   2.008  -6.815 -12.752
  540    HA   ALA  68           HA       ALA  68   4.364  -7.725 -14.268
  541   1HB   ALA  68          1HB       ALA  68   2.957  -5.096 -14.246
  542   2HB   ALA  68          2HB       ALA  68   3.565  -6.037 -15.609
  543   3HB   ALA  68          3HB       ALA  68   4.688  -5.155 -14.574
  544    H    VAL  69           H        VAL  69   3.473  -7.470 -11.233
  545    HA   VAL  69           HA       VAL  69   6.133  -6.619 -10.359
  546    HB   VAL  69           HB       VAL  69   5.304  -5.226  -8.579
  547   1HG1  VAL  69          1HG1      VAL  69   3.691  -4.193 -10.847
  548   2HG1  VAL  69          2HG1      VAL  69   5.416  -4.452 -11.109
  549   3HG1  VAL  69          3HG1      VAL  69   4.870  -3.368  -9.828
  550   1HG2  VAL  69          1HG2      VAL  69   2.741  -6.453  -9.296
  551   2HG2  VAL  69          2HG2      VAL  69   2.654  -4.723  -8.965
  552   3HG2  VAL  69          3HG2      VAL  69   3.303  -5.823  -7.748
  553    H    SER  70           H        SER  70   6.968  -8.166  -9.110
  554    HA   SER  70           HA       SER  70   5.207  -9.603  -7.260
  555   1HB   SER  70          2HB       SER  70   7.280 -11.231  -8.640
  556   2HB   SER  70          1HB       SER  70   5.689 -11.702  -8.045
  557    HG   SER  70           HG       SER  70   5.820 -11.649 -10.347
  558    H    PHE  71           H        PHE  71   6.086  -9.979  -5.298
  559    HA   PHE  71           HA       PHE  71   8.960 -10.014  -4.916
  560   1HB   PHE  71          2HB       PHE  71   7.420  -7.596  -4.464
  561   2HB   PHE  71          1HB       PHE  71   8.233  -8.132  -2.997
  562    HD1  PHE  71           HD1      PHE  71  10.593  -8.001  -2.778
  563    HD2  PHE  71           HD2      PHE  71   8.726  -7.078  -6.487
  564    HE1  PHE  71           HE1      PHE  71  12.706  -7.042  -3.598
  565    HE2  PHE  71           HE2      PHE  71  10.835  -6.118  -7.315
  566    HZ   PHE  71           HZ       PHE  71  12.829  -6.100  -5.869
  567    H    LEU  72           H        LEU  72   9.425 -11.455  -3.504
  568    HA   LEU  72           HA       LEU  72   8.067 -13.262  -2.217
  569   1HB   LEU  72          2HB       LEU  72   9.744 -13.033  -0.269
  570   2HB   LEU  72          1HB       LEU  72  10.338 -13.378  -1.884
  571    HG   LEU  72           HG       LEU  72  10.559 -10.749  -2.018
  572   1HD1  LEU  72          1HD1      LEU  72  10.194  -9.659  -0.118
  573   2HD1  LEU  72          2HD1      LEU  72  11.475 -10.585   0.660
  574   3HD1  LEU  72          3HD1      LEU  72   9.812 -11.170   0.702
  575   1HD2  LEU  72          1HD2      LEU  72  12.404 -12.298  -2.271
  576   2HD2  LEU  72          2HD2      LEU  72  12.471 -12.549  -0.526
  577   3HD2  LEU  72          3HD2      LEU  72  12.877 -10.974  -1.207
  578    H    SER  73           H        SER  73   8.344  -9.985  -0.864
  579    HA   SER  73           HA       SER  73   5.977 -10.510   0.755
  580   1HB   SER  73          2HB       SER  73   8.320 -10.844   1.983
  581   2HB   SER  73          1HB       SER  73   8.199  -9.091   2.139
  582    HG   SER  73           HG       SER  73   6.145  -9.417   3.121
  583    H    LEU  74           H        LEU  74   5.082  -8.488   1.730
  584    HA   LEU  74           HA       LEU  74   4.785  -6.519  -0.207
  585   1HB   LEU  74          2HB       LEU  74   3.789  -6.971   2.432
  586   2HB   LEU  74          1HB       LEU  74   4.246  -5.287   2.268
  587    HG   LEU  74           HG       LEU  74   2.155  -5.053   1.484
  588   1HD1  LEU  74          1HD1      LEU  74   3.772  -4.880  -0.512
  589   2HD1  LEU  74          2HD1      LEU  74   2.037  -4.896  -0.808
  590   3HD1  LEU  74          3HD1      LEU  74   2.986  -6.359  -1.058
  591   1HD2  LEU  74          1HD2      LEU  74   0.922  -6.872   1.810
  592   2HD2  LEU  74          2HD2      LEU  74   2.254  -7.949   1.396
  593   3HD2  LEU  74          3HD2      LEU  74   1.252  -7.257   0.123
  594    HA   PRO  75           HA       PRO  75   7.707  -3.761   2.800
  595   1HB   PRO  75          2HB       PRO  75   9.730  -5.653   3.521
  596   2HB   PRO  75          1HB       PRO  75   8.665  -4.743   4.591
  597   1HG   PRO  75          2HG       PRO  75   8.421  -7.519   3.607
  598   2HG   PRO  75          1HG       PRO  75   7.783  -6.788   5.088
  599   1HD   PRO  75          2HD       PRO  75   6.185  -7.432   3.035
  600   2HD   PRO  75          1HD       PRO  75   5.886  -5.988   4.021
  601    H    GLU  76           H        GLU  76   9.178  -6.645   1.266
  602    HA   GLU  76           HA       GLU  76  11.243  -5.156   0.000
  603   1HB   GLU  76          2HB       GLU  76  10.127  -7.869  -0.738
  604   2HB   GLU  76          1HB       GLU  76  11.658  -7.205  -1.286
  605   1HG   GLU  76          2HG       GLU  76  10.906  -8.035   1.500
  606   2HG   GLU  76          1HG       GLU  76  12.130  -8.746   0.448
  607    H    LEU  77           H        LEU  77   8.080  -6.320  -0.985
  608    HA   LEU  77           HA       LEU  77   8.145  -5.666  -3.694
  609   1HB   LEU  77          2HB       LEU  77   6.321  -6.947  -3.025
  610   2HB   LEU  77          1HB       LEU  77   5.978  -5.924  -1.649
  611    HG   LEU  77           HG       LEU  77   5.575  -4.891  -4.434
  612   1HD1  LEU  77          1HD1      LEU  77   4.356  -7.185  -3.594
  613   2HD1  LEU  77          2HD1      LEU  77   3.711  -6.063  -4.791
  614   3HD1  LEU  77          3HD1      LEU  77   3.200  -5.946  -3.106
  615   1HD2  LEU  77          1HD2      LEU  77   3.592  -3.957  -2.758
  616   2HD2  LEU  77          2HD2      LEU  77   5.056  -3.090  -3.214
  617   3HD2  LEU  77          3HD2      LEU  77   5.011  -4.016  -1.714
  618    H    VAL  78           H        VAL  78   6.958  -3.746  -0.942
  619    HA   VAL  78           HA       VAL  78   6.214  -1.456  -2.267
  620    HB   VAL  78           HB       VAL  78   7.532  -1.622   0.449
  621   1HG1  VAL  78          1HG1      VAL  78   6.936   0.648  -1.061
  622   2HG1  VAL  78          2HG1      VAL  78   7.280   0.578   0.666
  623   3HG1  VAL  78          3HG1      VAL  78   5.614   0.503   0.096
  624   1HG2  VAL  78          1HG2      VAL  78   4.589  -1.428  -0.140
  625   2HG2  VAL  78          2HG2      VAL  78   5.380  -1.856   1.377
  626   3HG2  VAL  78          3HG2      VAL  78   5.414  -2.979   0.017
  627    H    ASN  79           H        ASN  79   9.423  -2.570  -1.397
  628    HA   ASN  79           HA       ASN  79  10.855  -0.205  -1.888
  629   1HB   ASN  79          2HB       ASN  79  11.517  -2.766  -1.121
  630   2HB   ASN  79          1HB       ASN  79  12.205  -2.675  -2.741
  631   1HD2  ASN  79          1HD2      ASN  79  12.816  -2.170   0.438
  632   2HD2  ASN  79          2HD2      ASN  79  14.121  -1.045   0.310
  633    H    TYR  80           H        TYR  80   9.715  -2.786  -3.993
  634    HA   TYR  80           HA       TYR  80  10.926  -1.707  -6.365
  635   1HB   TYR  80          2HB       TYR  80  10.464  -4.097  -6.210
  636   2HB   TYR  80          1HB       TYR  80   8.747  -3.778  -5.999
  637    HD1  TYR  80           HD1      TYR  80   7.382  -3.025  -7.893
  638    HD2  TYR  80           HD2      TYR  80  11.495  -3.990  -8.383
  639    HE1  TYR  80           HE1      TYR  80   7.059  -3.136 -10.328
  640    HE2  TYR  80           HE2      TYR  80  11.185  -4.103 -10.820
  641    HH   TYR  80           HH       TYR  80   8.573  -2.854 -12.400
  642    H    HIS  81           H        HIS  81   7.901  -1.414  -4.673
  643    HA   HIS  81           HA       HIS  81   6.476  -0.120  -6.786
  644   1HB   HIS  81          2HB       HIS  81   5.952  -0.969  -4.052
  645   2HB   HIS  81          1HB       HIS  81   5.256   0.610  -4.386
  646    HD1  HIS  81           HD1      HIS  81   4.755  -0.339  -7.503
  647    HD2  HIS  81           HD2      HIS  81   3.328  -2.044  -3.993
  648    HE1  HIS  81           HE1      HIS  81   2.721  -1.647  -8.175
  649    HE2  HIS  81           HE2      HIS  81   1.806  -2.566  -6.020
  650    H    ARG  82           H        ARG  82   8.621   0.877  -4.233
  651    HA   ARG  82           HA       ARG  82   7.897   3.629  -4.327
  652   1HB   ARG  82          2HB       ARG  82   8.865   2.801  -2.289
  653   2HB   ARG  82          1HB       ARG  82  10.286   2.227  -3.148
  654   1HG   ARG  82          2HG       ARG  82  11.012   4.466  -3.587
  655   2HG   ARG  82          1HG       ARG  82   9.509   5.128  -2.943
  656   1HD   ARG  82          2HD       ARG  82  10.155   4.856  -0.791
  657   2HD   ARG  82          1HD       ARG  82  11.040   3.370  -1.131
  658    HE   ARG  82           HE       ARG  82  12.640   5.123  -2.277
  659   1HH1  ARG  82          2HH1      ARG  82  11.015   5.329   0.809
  660   2HH1  ARG  82          1HH1      ARG  82  12.227   6.344   1.515
  661   1HH2  ARG  82          1HH2      ARG  82  14.233   6.451  -1.342
  662   2HH2  ARG  82          2HH2      ARG  82  14.051   6.978   0.298
  663    H    ALA  83           H        ALA  83  10.127   1.626  -5.982
  664    HA   ALA  83           HA       ALA  83  11.625   3.795  -7.124
  665   1HB   ALA  83          1HB       ALA  83  12.177   1.706  -8.751
  666   2HB   ALA  83          2HB       ALA  83  11.653   0.849  -7.301
  667   3HB   ALA  83          3HB       ALA  83  12.993   1.992  -7.214
  668    H    GLN  84           H        GLN  84   9.565   1.293  -8.547
  669    HA   GLN  84           HA       GLN  84   8.828   3.142 -10.691
  670   1HB   GLN  84          2HB       GLN  84   9.455   0.398 -10.662
  671   2HB   GLN  84          1HB       GLN  84   7.735   0.494 -11.016
  672   1HG   GLN  84          2HG       GLN  84   8.085   1.733 -12.962
  673   2HG   GLN  84          1HG       GLN  84   9.731   2.162 -12.499
  674   1HE2  GLN  84          1HE2      GLN  84  11.266   0.328 -12.331
  675   2HE2  GLN  84          2HE2      GLN  84  11.130  -0.945 -13.491
  676    H    SER  85           H        SER  85   6.660   3.521 -11.261
  677    HA   SER  85           HA       SER  85   4.775   3.198  -9.035
  678   1HB   SER  85          2HB       SER  85   3.458   4.697 -10.921
  679   2HB   SER  85          1HB       SER  85   4.413   5.358  -9.595
  680    HG   SER  85           HG       SER  85   6.133   5.609 -10.967
  681    H    LEU  86           H        LEU  86   5.661   1.158 -11.165
  682    HA   LEU  86           HA       LEU  86   3.783   0.527 -13.023
  683   1HB   LEU  86          2HB       LEU  86   5.968  -0.707 -12.108
  684   2HB   LEU  86          1HB       LEU  86   4.757  -1.724 -11.351
  685    HG   LEU  86           HG       LEU  86   4.677  -1.153 -14.298
  686   1HD1  LEU  86          1HD1      LEU  86   5.893  -3.674 -13.344
  687   2HD1  LEU  86          2HD1      LEU  86   6.889  -2.221 -13.266
  688   3HD1  LEU  86          3HD1      LEU  86   6.208  -2.742 -14.807
  689   1HD2  LEU  86          1HD2      LEU  86   2.708  -2.136 -13.105
  690   2HD2  LEU  86          2HD2      LEU  86   3.718  -3.530 -12.719
  691   3HD2  LEU  86          3HD2      LEU  86   3.363  -3.137 -14.402
  692    H    SER  87           H        SER  87   1.682   0.178 -12.998
  693    HA   SER  87           HA       SER  87  -0.441  -0.166 -12.236
  694   1HB   SER  87          2HB       SER  87   0.461  -2.495 -12.398
  695   2HB   SER  87          1HB       SER  87   0.856  -2.414 -10.682
  696    HG   SER  87           HG       SER  87  -1.753  -1.940 -11.665
  697    H    HIS  88           H        HIS  88   1.326   1.598 -10.618
  698    HA   HIS  88           HA       HIS  88  -0.372   1.660  -8.252
  699   1HB   HIS  88          2HB       HIS  88   1.816   0.411  -7.773
  700   2HB   HIS  88          1HB       HIS  88   2.610   1.973  -7.948
  701    HD1  HIS  88           HD1      HIS  88   1.171  -0.147  -5.466
  702    HD2  HIS  88           HD2      HIS  88   1.359   3.954  -6.065
  703    HE1  HIS  88           HE1      HIS  88   0.667   0.886  -3.233
  704    HE2  HIS  88           HE2      HIS  88   0.903   3.364  -3.594
  705    H    GLY  89           H        GLY  89  -1.177   3.600  -8.049
  706   1HA   GLY  89          2HA       GLY  89  -0.974   5.741  -9.607
  707   2HA   GLY  89          1HA       GLY  89  -1.277   5.904  -7.892
  708    H    LEU  90           H        LEU  90   1.017   5.590  -6.642
  709    HA   LEU  90           HA       LEU  90   3.013   7.246  -8.012
  710   1HB   LEU  90          2HB       LEU  90   1.297   8.093  -5.916
  711   2HB   LEU  90          1HB       LEU  90   2.913   7.982  -5.253
  712    HG   LEU  90           HG       LEU  90   3.401   9.343  -7.552
  713   1HD1  LEU  90          1HD1      LEU  90   1.041  10.838  -6.661
  714   2HD1  LEU  90          2HD1      LEU  90   0.698   9.355  -7.551
  715   3HD1  LEU  90          3HD1      LEU  90   1.698  10.609  -8.282
  716   1HD2  LEU  90          1HD2      LEU  90   2.898  11.374  -5.804
  717   2HD2  LEU  90          2HD2      LEU  90   4.372  10.406  -5.839
  718   3HD2  LEU  90          3HD2      LEU  90   3.072   9.992  -4.722
  719    H    ARG  91           H        ARG  91   5.089   7.331  -6.780
  720    HA   ARG  91           HA       ARG  91   5.899   4.673  -6.104
  721   1HB   ARG  91          2HB       ARG  91   7.255   7.324  -6.341
  722   2HB   ARG  91          1HB       ARG  91   8.080   6.020  -5.504
  723   1HG   ARG  91          2HG       ARG  91   8.189   4.699  -7.428
  724   2HG   ARG  91          1HG       ARG  91   6.952   5.650  -8.252
  725   1HD   ARG  91          2HD       ARG  91   9.125   6.170  -9.168
  726   2HD   ARG  91          1HD       ARG  91   8.489   7.565  -8.304
  727    HE   ARG  91           HE       ARG  91  10.014   6.316  -6.448
  728   1HH1  ARG  91          2HH1      ARG  91  10.614   7.428  -9.701
  729   2HH1  ARG  91          1HH1      ARG  91  12.292   7.746  -9.417
  730   1HH2  ARG  91          1HH2      ARG  91  12.221   6.735  -6.072
  731   2HH2  ARG  91          2HH2      ARG  91  13.204   7.352  -7.357
  732    H    LEU  92           H        LEU  92   5.871   3.753  -4.177
  733    HA   LEU  92           HA       LEU  92   4.882   4.968  -1.863
  734   1HB   LEU  92          2HB       LEU  92   6.586   2.506  -2.036
  735   2HB   LEU  92          1HB       LEU  92   5.484   2.934  -0.738
  736    HG   LEU  92           HG       LEU  92   4.739   2.291  -3.574
  737   1HD1  LEU  92          1HD1      LEU  92   4.087   0.829  -1.023
  738   2HD1  LEU  92          2HD1      LEU  92   5.329   0.343  -2.177
  739   3HD1  LEU  92          3HD1      LEU  92   3.635   0.351  -2.658
  740   1HD2  LEU  92          1HD2      LEU  92   2.473   2.388  -1.883
  741   2HD2  LEU  92          2HD2      LEU  92   2.850   3.394  -3.281
  742   3HD2  LEU  92          3HD2      LEU  92   3.374   3.890  -1.676
  743    H    ALA  93           H        ALA  93   5.948   6.828  -1.468
  744    HA   ALA  93           HA       ALA  93   8.809   6.871  -1.032
  745   1HB   ALA  93          1HB       ALA  93   7.973   8.789  -2.088
  746   2HB   ALA  93          2HB       ALA  93   8.348   9.295  -0.440
  747   3HB   ALA  93          3HB       ALA  93   6.678   8.978  -0.907
  748    H    ALA  94           H        ALA  94   6.459   8.473   1.079
  749    HA   ALA  94           HA       ALA  94   7.935   7.416   3.385
  750   1HB   ALA  94          1HB       ALA  94   7.585   9.381   4.427
  751   2HB   ALA  94          2HB       ALA  94   5.938   9.536   3.815
  752   3HB   ALA  94          3HB       ALA  94   7.305   9.970   2.789
  753    HA   PRO  95           HA       PRO  95   4.317   5.359   4.962
  754   1HB   PRO  95          2HB       PRO  95   4.430   5.709   7.597
  755   2HB   PRO  95          1HB       PRO  95   5.751   4.907   6.742
  756   1HG   PRO  95          2HG       PRO  95   5.601   7.675   7.826
  757   2HG   PRO  95          1HG       PRO  95   6.989   6.580   7.727
  758   1HD   PRO  95          2HD       PRO  95   6.371   8.678   5.946
  759   2HD   PRO  95          1HD       PRO  95   7.582   7.406   5.701
  760    H    CYS  96           H        CYS  96   2.188   5.480   5.862
  761    HA   CYS  96           HA       CYS  96   0.872   7.950   5.404
  762   1HB   CYS  96          2HB       CYS  96  -1.151   6.803   6.100
  763   2HB   CYS  96          1HB       CYS  96  -0.202   5.739   5.068
  764    HG   CYS  96           HG       CYS  96   0.208   4.195   6.988
  765    H    ARG  97           H        ARG  97  -0.737   8.792   7.134
  766    HA   ARG  97           HA       ARG  97   0.084   8.605   9.868
  767   1HB   ARG  97          2HB       ARG  97   1.059  10.834   8.172
  768   2HB   ARG  97          1HB       ARG  97   0.455  11.266   9.765
  769   1HG   ARG  97          2HG       ARG  97   2.015   9.444  10.650
  770   2HG   ARG  97          1HG       ARG  97   2.770   9.502   9.056
  771   1HD   ARG  97          2HD       ARG  97   3.437  11.738   9.335
  772   2HD   ARG  97          1HD       ARG  97   2.354  11.976  10.706
  773    HE   ARG  97           HE       ARG  97   4.996  10.844  10.757
  774   1HH1  ARG  97          2HH1      ARG  97   1.923  11.017  12.400
  775   2HH1  ARG  97          1HH1      ARG  97   2.583  10.602  13.946
  776   1HH2  ARG  97          1HH2      ARG  97   5.868  10.297  12.790
  777   2HH2  ARG  97          2HH2      ARG  97   4.823  10.195  14.167
  778    H    LYS  98           H        LYS  98  -1.100  10.330  11.213
  779    HA   LYS  98           HA       LYS  98  -3.586  11.223   9.969
  780   1HB   LYS  98          2HB       LYS  98  -3.442   8.870  11.518
  781   2HB   LYS  98          1HB       LYS  98  -4.204  10.080  12.540
  782   1HG   LYS  98          2HG       LYS  98  -5.596  10.495  10.305
  783   2HG   LYS  98          1HG       LYS  98  -5.177   8.798  10.061
  784   1HD   LYS  98          2HD       LYS  98  -6.944   8.328  11.347
  785   2HD   LYS  98          1HD       LYS  98  -5.965   8.888  12.704
  786   1HE   LYS  98          2HE       LYS  98  -7.101  10.835  12.895
  787   2HE   LYS  98          1HE       LYS  98  -7.358  10.979  11.157
  788   1HZ   LYS  98          1HZ       LYS  98  -9.463  10.589  12.033
  789   2HZ   LYS  98          2HZ       LYS  98  -8.915   9.414  13.119
  790   3HZ   LYS  98          3HZ       LYS  98  -8.988   9.067  11.465
  791    H    HIS  99           H        HIS  99  -4.942  12.053  12.194
  792    HA   HIS  99           HA       HIS  99  -3.115  14.073  13.311
  793   1HB   HIS  99          2HB       HIS  99  -6.062  14.185  12.676
  794   2HB   HIS  99          1HB       HIS  99  -5.270  15.384  13.694
  795    HD1  HIS  99           HD1      HIS  99  -3.115  16.580  12.429
  796    HD2  HIS  99           HD2      HIS  99  -6.039  14.828  10.051
  797    HE1  HIS  99           HE1      HIS  99  -2.820  17.592  10.145
  798    HE2  HIS  99           HE2      HIS  99  -4.652  16.578   8.744
  799    H    GLU 100           HN       GLU 100  -5.959  12.091  14.097
  800    HA   GLU 100           HA       GLU 100  -6.703  11.201  16.053
  801   1HB   GLU 100          2HB       GLU 100  -4.147  10.543  16.006
  802   2HB   GLU 100          1HB       GLU 100  -4.055  11.664  17.358
  803   1HG   GLU 100          2HG       GLU 100  -5.850  10.356  18.480
  804   2HG   GLU 100          1HG       GLU 100  -5.738   9.179  17.171
  Start of MODEL    6
    1   1H    SER   1          1H        SER   1   9.835  -4.333   6.989
    2   2H    SER   1          2H        SER   1  10.764  -2.904   6.799
    3   3H    SER   1          3H        SER   1   9.957  -3.590   5.450
    4    HA   SER   1           HA       SER   1   7.884  -3.028   6.249
    5   1HB   SER   1          2HB       SER   1   7.547  -2.144   8.507
    6   2HB   SER   1          1HB       SER   1   8.359  -3.707   8.585
    7    HG   SER   1           HG       SER   1   9.334  -2.148   9.955
    8    H    GLU   2           H        GLU   2   6.952  -0.848   6.383
    9    HA   GLU   2           HA       GLU   2   8.439   1.503   6.535
   10   1HB   GLU   2          2HB       GLU   2   8.951   0.124   4.141
   11   2HB   GLU   2          1HB       GLU   2   7.878   1.446   3.706
   12   1HG   GLU   2          2HG       GLU   2   9.788   2.600   3.531
   13   2HG   GLU   2          1HG       GLU   2   9.623   2.755   5.278
   14    HA   PRO   3           HA       PRO   3   4.196   2.539   4.279
   15   1HB   PRO   3          2HB       PRO   3   2.633   0.230   4.035
   16   2HB   PRO   3          1HB       PRO   3   3.461   1.048   2.719
   17   1HG   PRO   3          2HG       PRO   3   4.224  -1.391   4.223
   18   2HG   PRO   3          1HG       PRO   3   4.540  -0.967   2.534
   19   1HD   PRO   3          2HD       PRO   3   6.442  -0.875   4.454
   20   2HD   PRO   3          1HD       PRO   3   6.435   0.216   3.061
   21    H    TRP   4           H        TRP   4   4.744   0.087   6.681
   22    HA   TRP   4           HA       TRP   4   4.020  -0.085   8.837
   23   1HB   TRP   4          2HB       TRP   4   2.564   2.401   8.057
   24   2HB   TRP   4          1HB       TRP   4   1.939   1.492   9.425
   25    HD1  TRP   4           HD1      TRP   4   5.125   3.346   8.296
   26    HE1  TRP   4           HE1      TRP   4   6.427   4.058  10.399
   27    HE3  TRP   4           HE3      TRP   4   2.266   1.029  11.848
   28    HZ2  TRP   4           HZ2      TRP   4   6.265   3.687  13.192
   29    HZ3  TRP   4           HZ3      TRP   4   2.909   1.258  14.212
   30    HH2  TRP   4           HH2      TRP   4   4.867   2.559  14.868
   31    H    PHE   5           H        PHE   5   3.296  -2.112   8.531
   32    HA   PHE   5           HA       PHE   5   0.978  -2.802   7.088
   33   1HB   PHE   5          2HB       PHE   5   1.244  -5.032   8.159
   34   2HB   PHE   5          1HB       PHE   5   2.725  -4.431   7.424
   35    HD1  PHE   5           HD1      PHE   5   4.600  -3.719   8.805
   36    HD2  PHE   5           HD2      PHE   5   1.052  -5.306  10.537
   37    HE1  PHE   5           HE1      PHE   5   5.794  -4.060  10.929
   38    HE2  PHE   5           HE2      PHE   5   2.239  -5.648  12.664
   39    HZ   PHE   5           HZ       PHE   5   4.613  -5.025  12.862
   40    H    PHE   6           H        PHE   6  -1.023  -2.302   7.607
   41    HA   PHE   6           HA       PHE   6  -1.848  -2.571  10.423
   42   1HB   PHE   6          2HB       PHE   6  -2.074  -0.254   8.650
   43   2HB   PHE   6          1HB       PHE   6  -3.617  -0.731   9.352
   44    HD1  PHE   6           HD1      PHE   6  -0.220   0.452  10.085
   45    HD2  PHE   6           HD2      PHE   6  -4.053  -0.471  11.687
   46    HE1  PHE   6           HE1      PHE   6   0.384   1.594  12.180
   47    HE2  PHE   6           HE2      PHE   6  -3.456   0.670  13.782
   48    HZ   PHE   6           HZ       PHE   6  -1.236   1.704  14.031
   49    H    GLY   7           H        GLY   7  -2.630  -4.639  10.062
   50   1HA   GLY   7          2HA       GLY   7  -4.434  -5.203   7.906
   51   2HA   GLY   7          1HA       GLY   7  -3.981  -6.293   9.205
   52    H    CYS   8           H        CYS   8  -5.022  -3.297  10.390
   53    HA   CYS   8           HA       CYS   8  -7.675  -4.435  10.839
   54   1HB   CYS   8          2HB       CYS   8  -7.649  -3.011  12.966
   55   2HB   CYS   8          1HB       CYS   8  -6.628  -4.445  12.945
   56    HG   CYS   8           HG       CYS   8  -4.804  -2.946  13.563
   57    H    ILE   9           H        ILE   9  -6.078  -1.984   9.275
   58    HA   ILE   9           HA       ILE   9  -8.082   0.065   9.709
   59    HB   ILE   9           HB       ILE   9  -6.809   1.439   8.168
   60   1HG1  ILE   9          2HG1      ILE   9  -4.481  -0.121   7.707
   61   2HG1  ILE   9          1HG1      ILE   9  -5.863  -1.084   7.195
   62   1HG2  ILE   9          1HG2      ILE   9  -5.870   1.754  10.207
   63   2HG2  ILE   9          2HG2      ILE   9  -4.471   1.079   9.371
   64   3HG2  ILE   9          3HG2      ILE   9  -5.461   0.050  10.407
   65   1HD1  ILE   9          1HD1      ILE   9  -5.292   1.729   6.303
   66   2HD1  ILE   9          2HD1      ILE   9  -6.595   0.686   5.732
   67   3HD1  ILE   9          3HD1      ILE   9  -4.917   0.270   5.387
   68    H    SER  10           H        SER  10  -9.913   0.201   8.615
   69    HA   SER  10           HA       SER  10 -10.417  -1.535   6.373
   70   1HB   SER  10          2HB       SER  10 -12.214   0.606   7.532
   71   2HB   SER  10          1HB       SER  10 -12.698  -0.739   6.499
   72    HG   SER  10           HG       SER  10 -11.501  -1.057   9.050
   73    H    ARG  11           H        ARG  11 -11.758  -0.470   4.505
   74    HA   ARG  11           HA       ARG  11  -9.987   1.140   3.037
   75   1HB   ARG  11          2HB       ARG  11 -11.911  -0.444   2.250
   76   2HB   ARG  11          1HB       ARG  11 -12.907   0.998   2.380
   77   1HG   ARG  11          2HG       ARG  11 -11.834   2.061   0.644
   78   2HG   ARG  11          1HG       ARG  11 -10.364   1.101   0.826
   79   1HD   ARG  11          2HD       ARG  11 -11.218   0.117  -1.042
   80   2HD   ARG  11          1HD       ARG  11 -12.009  -0.869   0.185
   81    HE   ARG  11           HE       ARG  11 -13.250   1.090  -1.557
   82   1HH1  ARG  11          2HH1      ARG  11 -13.579  -0.936   1.271
   83   2HH1  ARG  11          1HH1      ARG  11 -15.310  -0.909   1.239
   84   1HH2  ARG  11          1HH2      ARG  11 -15.525   1.122  -1.595
   85   2HH2  ARG  11          2HH2      ARG  11 -16.413   0.258  -0.385
   86    H    SER  12           H        SER  12 -12.336   1.930   5.351
   87    HA   SER  12           HA       SER  12 -12.847   4.605   4.431
   88   1HB   SER  12          2HB       SER  12 -13.523   3.123   6.973
   89   2HB   SER  12          1HB       SER  12 -13.915   4.827   6.741
   90    HG   SER  12           HG       SER  12 -14.973   4.041   4.727
   91    H    GLU  13           H        GLU  13 -10.643   3.049   6.670
   92    HA   GLU  13           HA       GLU  13  -9.766   5.532   7.838
   93   1HB   GLU  13          2HB       GLU  13  -8.198   2.985   7.997
   94   2HB   GLU  13          1HB       GLU  13  -8.318   4.287   9.172
   95   1HG   GLU  13          2HG       GLU  13 -10.517   2.341   8.492
   96   2HG   GLU  13          1HG       GLU  13  -9.472   2.258   9.910
   97    H    ALA  14           H        ALA  14  -8.354   3.166   5.579
   98    HA   ALA  14           HA       ALA  14  -5.916   4.458   5.202
   99   1HB   ALA  14          1HB       ALA  14  -5.855   2.373   4.302
  100   2HB   ALA  14          2HB       ALA  14  -6.174   3.292   2.833
  101   3HB   ALA  14          3HB       ALA  14  -7.496   2.476   3.665
  102    H    VAL  15           H        VAL  15  -8.996   4.866   3.509
  103    HA   VAL  15           HA       VAL  15  -8.069   6.662   1.548
  104    HB   VAL  15           HB       VAL  15 -10.818   6.367   2.748
  105   1HG1  VAL  15          1HG1      VAL  15 -11.164   8.385   1.788
  106   2HG1  VAL  15          2HG1      VAL  15 -11.286   7.417   0.317
  107   3HG1  VAL  15          3HG1      VAL  15  -9.772   8.230   0.715
  108   1HG2  VAL  15          1HG2      VAL  15  -9.713   4.450   1.482
  109   2HG2  VAL  15          2HG2      VAL  15  -9.912   5.453   0.045
  110   3HG2  VAL  15          3HG2      VAL  15 -11.326   4.945   0.971
  111    H    ARG  16           H        ARG  16  -9.511   7.226   4.744
  112    HA   ARG  16           HA       ARG  16  -9.173  10.080   4.516
  113   1HB   ARG  16          2HB       ARG  16 -10.877   8.503   5.953
  114   2HB   ARG  16          1HB       ARG  16  -9.713   8.976   7.184
  115   1HG   ARG  16          2HG       ARG  16 -11.045  10.757   7.420
  116   2HG   ARG  16          1HG       ARG  16 -10.192  11.360   5.998
  117   1HD   ARG  16          2HD       ARG  16 -11.989  11.122   4.665
  118   2HD   ARG  16          1HD       ARG  16 -12.466   9.599   5.414
  119    HE   ARG  16           HE       ARG  16 -13.416  12.226   6.072
  120   1HH1  ARG  16          2HH1      ARG  16 -12.912   8.992   7.284
  121   2HH1  ARG  16          1HH1      ARG  16 -14.137   9.123   8.502
  122   1HH2  ARG  16          1HH2      ARG  16 -15.027  12.400   7.674
  123   2HH2  ARG  16          2HH2      ARG  16 -15.336  11.058   8.724
  124    H    ARG  17           H        ARG  17  -7.289   7.463   5.540
  125    HA   ARG  17           HA       ARG  17  -5.630   8.952   7.375
  126   1HB   ARG  17          2HB       ARG  17  -6.026   6.539   7.725
  127   2HB   ARG  17          1HB       ARG  17  -5.255   6.185   6.184
  128   1HG   ARG  17          2HG       ARG  17  -3.175   7.266   7.114
  129   2HG   ARG  17          1HG       ARG  17  -3.986   7.273   8.680
  130   1HD   ARG  17          2HD       ARG  17  -4.295   4.820   8.472
  131   2HD   ARG  17          1HD       ARG  17  -3.348   4.862   6.987
  132    HE   ARG  17           HE       ARG  17  -1.692   6.017   8.765
  133   1HH1  ARG  17          2HH1      ARG  17  -3.521   3.047   8.847
  134   2HH1  ARG  17          1HH1      ARG  17  -2.384   2.229   9.864
  135   1HH2  ARG  17          1HH2      ARG  17  -0.194   4.942  10.102
  136   2HH2  ARG  17          2HH2      ARG  17  -0.495   3.304  10.577
  137    H    LEU  18           H        LEU  18  -5.282   7.522   4.147
  138    HA   LEU  18           HA       LEU  18  -2.681   8.426   3.604
  139   1HB   LEU  18          2HB       LEU  18  -4.997   7.528   1.988
  140   2HB   LEU  18          1HB       LEU  18  -3.667   8.321   1.162
  141    HG   LEU  18           HG       LEU  18  -3.408   5.919   1.091
  142   1HD1  LEU  18          1HD1      LEU  18  -1.268   6.523   1.072
  143   2HD1  LEU  18          2HD1      LEU  18  -1.214   6.022   2.753
  144   3HD1  LEU  18          3HD1      LEU  18  -1.493   7.714   2.341
  145   1HD2  LEU  18          1HD2      LEU  18  -4.532   5.071   2.935
  146   2HD2  LEU  18          2HD2      LEU  18  -3.712   6.155   4.056
  147   3HD2  LEU  18          3HD2      LEU  18  -2.839   4.805   3.340
  148    H    GLN  19           H        GLN  19  -5.806   9.844   3.244
  149    HA   GLN  19           HA       GLN  19  -4.844  12.233   1.930
  150   1HB   GLN  19          2HB       GLN  19  -7.295  10.930   2.068
  151   2HB   GLN  19          1HB       GLN  19  -7.544  12.403   2.993
  152   1HG   GLN  19          2HG       GLN  19  -6.196  12.658   0.372
  153   2HG   GLN  19          1HG       GLN  19  -7.916  12.269   0.369
  154   1HE2  GLN  19          1HE2      GLN  19  -8.678  14.180  -0.378
  155   2HE2  GLN  19          2HE2      GLN  19  -8.538  15.677   0.473
  156    H    ALA  20           H        ALA  20  -5.168  11.168   5.149
  157    HA   ALA  20           HA       ALA  20  -5.508  13.838   6.263
  158   1HB   ALA  20          1HB       ALA  20  -5.211  12.471   8.445
  159   2HB   ALA  20          2HB       ALA  20  -5.443  11.078   7.388
  160   3HB   ALA  20          3HB       ALA  20  -6.698  12.312   7.512
  161    H    GLU  21           H        GLU  21  -4.036  14.034   8.410
  162    HA   GLU  21           HA       GLU  21  -1.971  14.705   9.112
  163   1HB   GLU  21          2HB       GLU  21  -1.455  12.004   7.963
  164   2HB   GLU  21          1HB       GLU  21  -0.148  12.944   8.669
  165   1HG   GLU  21          2HG       GLU  21  -1.097  11.349  10.258
  166   2HG   GLU  21          1HG       GLU  21  -1.300  13.015  10.794
  167    H    GLY  22           H        GLY  22   0.485  14.798   8.384
  168   1HA   GLY  22          2HA       GLY  22   0.540  16.641   6.248
  169   2HA   GLY  22          1HA       GLY  22   1.949  15.872   6.974
  170    H    ASN  23           H        ASN  23  -0.213  13.526   6.094
  171    HA   ASN  23           HA       ASN  23   0.845  11.815   4.562
  172   1HB   ASN  23          2HB       ASN  23  -1.002  11.788   2.889
  173   2HB   ASN  23          1HB       ASN  23  -1.550  11.910   4.556
  174   1HD2  ASN  23          1HD2      ASN  23  -3.156  12.602   2.449
  175   2HD2  ASN  23          2HD2      ASN  23  -3.429  14.307   2.463
  176    H    ALA  24           H        ALA  24   2.879  12.482   3.820
  177    HA   ALA  24           HA       ALA  24   3.071  14.323   1.620
  178   1HB   ALA  24          1HB       ALA  24   5.485  13.350   1.588
  179   2HB   ALA  24          2HB       ALA  24   5.021  12.625   3.127
  180   3HB   ALA  24          3HB       ALA  24   4.982  14.377   2.930
  181    H    THR  25           H        THR  25   2.503  13.804  -0.354
  182    HA   THR  25           HA       THR  25   1.507  11.731  -1.530
  183    HB   THR  25           HB       THR  25   2.851  12.226  -3.633
  184    HG1  THR  25           HG1      THR  25   4.189  13.867  -1.776
  185   1HG2  THR  25          1HG2      THR  25   0.797  13.452  -3.095
  186   2HG2  THR  25          2HG2      THR  25   1.983  14.452  -3.932
  187   3HG2  THR  25          3HG2      THR  25   1.753  14.625  -2.192
  188    H    GLY  26           H        GLY  26   1.842   9.655  -1.974
  189   1HA   GLY  26          2HA       GLY  26   3.220   7.795  -2.626
  190   2HA   GLY  26          1HA       GLY  26   4.584   8.580  -1.838
  191    H    ALA  27           H        ALA  27   2.509   9.248   0.386
  192    HA   ALA  27           HA       ALA  27   3.276   7.516   2.319
  193   1HB   ALA  27          1HB       ALA  27   1.123   7.999   3.468
  194   2HB   ALA  27          2HB       ALA  27   0.547   8.757   1.984
  195   3HB   ALA  27          3HB       ALA  27   1.927   9.440   2.846
  196    H    PHE  28           H        PHE  28   3.168   5.351   2.510
  197    HA   PHE  28           HA       PHE  28   0.906   3.970   1.228
  198   1HB   PHE  28          2HB       PHE  28   2.617   2.101   0.878
  199   2HB   PHE  28          1HB       PHE  28   2.740   3.519  -0.146
  200    HD1  PHE  28           HD1      PHE  28   4.341   5.427   1.074
  201    HD2  PHE  28           HD2      PHE  28   4.638   1.210   1.486
  202    HE1  PHE  28           HE1      PHE  28   6.705   5.645   1.662
  203    HE2  PHE  28           HE2      PHE  28   7.011   1.439   2.072
  204    HZ   PHE  28           HZ       PHE  28   8.049   3.658   2.165
  205    H    LEU  29           H        LEU  29   0.299   2.026   2.153
  206    HA   LEU  29           HA       LEU  29   1.284   1.223   4.733
  207   1HB   LEU  29          2HB       LEU  29  -0.944   1.389   5.808
  208   2HB   LEU  29          1HB       LEU  29  -0.152   2.918   5.521
  209    HG   LEU  29           HG       LEU  29  -1.999   3.688   4.541
  210   1HD1  LEU  29          1HD1      LEU  29  -2.876   1.906   2.578
  211   2HD1  LEU  29          2HD1      LEU  29  -1.129   1.847   2.533
  212   3HD1  LEU  29          3HD1      LEU  29  -1.948   3.384   2.363
  213   1HD2  LEU  29          1HD2      LEU  29  -3.440   1.116   4.400
  214   2HD2  LEU  29          2HD2      LEU  29  -3.964   2.684   5.016
  215   3HD2  LEU  29          3HD2      LEU  29  -2.913   1.658   5.994
  216    H    ILE  30           H        ILE  30   0.818  -0.908   5.170
  217    HA   ILE  30           HA       ILE  30  -0.744  -2.253   3.061
  218    HB   ILE  30           HB       ILE  30   1.083  -3.798   4.822
  219   1HG1  ILE  30          2HG1      ILE  30   2.307  -1.721   3.914
  220   2HG1  ILE  30          1HG1      ILE  30   3.042  -3.292   3.631
  221   1HG2  ILE  30          1HG2      ILE  30  -0.575  -4.426   2.751
  222   2HG2  ILE  30          2HG2      ILE  30   0.766  -5.415   3.323
  223   3HG2  ILE  30          3HG2      ILE  30   0.996  -4.328   1.961
  224   1HD1  ILE  30          1HD1      ILE  30   3.042  -2.939   1.453
  225   2HD1  ILE  30          2HD1      ILE  30   2.449  -1.312   1.759
  226   3HD1  ILE  30          3HD1      ILE  30   1.308  -2.621   1.451
  227    H    ARG  31           H        ARG  31  -2.688  -2.878   3.640
  228    HA   ARG  31           HA       ARG  31  -3.142  -3.639   6.444
  229   1HB   ARG  31          2HB       ARG  31  -5.394  -2.920   6.238
  230   2HB   ARG  31          1HB       ARG  31  -4.425  -1.658   5.492
  231   1HG   ARG  31          2HG       ARG  31  -4.911  -2.717   3.284
  232   2HG   ARG  31          1HG       ARG  31  -6.046  -3.776   4.122
  233   1HD   ARG  31          2HD       ARG  31  -7.462  -1.997   4.696
  234   2HD   ARG  31          1HD       ARG  31  -6.219  -0.792   4.373
  235    HE   ARG  31           HE       ARG  31  -8.084  -1.815   2.520
  236   1HH1  ARG  31          2HH1      ARG  31  -4.748  -0.824   2.773
  237   2HH1  ARG  31          1HH1      ARG  31  -4.616  -0.402   1.099
  238   1HH2  ARG  31          1HH2      ARG  31  -7.913  -1.259   0.319
  239   2HH2  ARG  31          2HH2      ARG  31  -6.413  -0.649  -0.293
  240    H    VAL  32           H        VAL  32  -5.405  -5.074   6.353
  241    HA   VAL  32           HA       VAL  32  -4.516  -7.455   4.945
  242    HB   VAL  32           HB       VAL  32  -6.327  -8.622   6.154
  243   1HG1  VAL  32          1HG1      VAL  32  -4.097  -7.211   7.390
  244   2HG1  VAL  32          2HG1      VAL  32  -4.598  -8.895   7.538
  245   3HG1  VAL  32          3HG1      VAL  32  -5.362  -7.658   8.536
  246   1HG2  VAL  32          1HG2      VAL  32  -7.578  -7.419   7.901
  247   2HG2  VAL  32          2HG2      VAL  32  -7.948  -6.824   6.284
  248   3HG2  VAL  32          3HG2      VAL  32  -6.877  -5.902   7.339
  249    H    SER  33           H        SER  33  -5.956  -8.781   3.719
  250    HA   SER  33           HA       SER  33  -7.172  -7.412   1.611
  251   1HB   SER  33          2HB       SER  33  -8.192  -9.776   1.169
  252   2HB   SER  33          1HB       SER  33  -6.445  -9.553   1.060
  253    HG   SER  33           HG       SER  33  -6.181 -10.587   2.953
  254    H    GLU  34           H        GLU  34  -8.644  -5.944   2.674
  255    HA   GLU  34           HA       GLU  34 -10.836  -6.799   4.209
  256   1HB   GLU  34          2HB       GLU  34 -11.867  -4.577   3.362
  257   2HB   GLU  34          1HB       GLU  34 -10.433  -4.511   4.376
  258   1HG   GLU  34          2HG       GLU  34  -9.032  -4.068   2.513
  259   2HG   GLU  34          1HG       GLU  34 -10.331  -4.422   1.374
  260    H    LYS  35           H        LYS  35 -10.243  -6.691   0.838
  261    HA   LYS  35           HA       LYS  35 -12.980  -7.599   0.275
  262   1HB   LYS  35          2HB       LYS  35 -11.116  -6.723  -1.899
  263   2HB   LYS  35          1HB       LYS  35 -12.870  -6.691  -1.858
  264   1HG   LYS  35          2HG       LYS  35 -12.871  -4.589  -1.176
  265   2HG   LYS  35          1HG       LYS  35 -11.826  -4.977   0.191
  266   1HD   LYS  35          2HD       LYS  35 -10.580  -3.415  -0.996
  267   2HD   LYS  35          1HD       LYS  35  -9.923  -4.954  -1.558
  268   1HE   LYS  35          2HE       LYS  35 -12.181  -3.662  -3.030
  269   2HE   LYS  35          1HE       LYS  35 -10.530  -3.093  -3.278
  270   1HZ   LYS  35          1HZ       LYS  35 -10.635  -4.691  -4.867
  271   2HZ   LYS  35          2HZ       LYS  35 -11.749  -5.643  -4.024
  272   3HZ   LYS  35          3HZ       LYS  35 -10.116  -5.660  -3.580
  273    HA   PRO  36           HA       PRO  36  -9.989 -10.607  -2.186
  274   1HB   PRO  36          2HB       PRO  36  -7.514 -10.296  -0.586
  275   2HB   PRO  36          1HB       PRO  36  -7.712 -10.441  -2.333
  276   1HG   PRO  36          2HG       PRO  36  -7.065  -8.108  -1.219
  277   2HG   PRO  36          1HG       PRO  36  -8.172  -8.188  -2.602
  278   1HD   PRO  36          2HD       PRO  36  -8.793  -7.824   0.302
  279   2HD   PRO  36          1HD       PRO  36  -9.500  -7.013  -1.109
  280    H    SER  37           H        SER  37  -8.422 -12.552  -1.143
  281    HA   SER  37           HA       SER  37 -10.039 -13.490   1.115
  282   1HB   SER  37          2HB       SER  37 -10.130 -15.027  -0.691
  283   2HB   SER  37          1HB       SER  37  -8.388 -14.944  -0.951
  284    HG   SER  37           HG       SER  37  -8.802 -16.821   0.154
  285    H    ALA  38           H        ALA  38  -6.816 -14.662   0.279
  286    HA   ALA  38           HA       ALA  38  -5.928 -13.897   2.982
  287   1HB   ALA  38          1HB       ALA  38  -4.185 -15.775   2.488
  288   2HB   ALA  38          2HB       ALA  38  -5.368 -16.291   1.285
  289   3HB   ALA  38          3HB       ALA  38  -5.822 -16.201   2.987
  290    H    ASP  39           H        ASP  39  -5.647 -11.829   1.529
  291    HA   ASP  39           HA       ASP  39  -2.825 -11.784   0.705
  292   1HB   ASP  39          2HB       ASP  39  -4.932 -10.149  -0.698
  293   2HB   ASP  39          1HB       ASP  39  -3.294 -10.508  -1.228
  294    H    TYR  40           H        TYR  40  -2.725  -9.037   0.079
  295    HA   TYR  40           HA       TYR  40  -3.644  -7.656   2.491
  296   1HB   TYR  40          2HB       TYR  40  -0.815  -8.248   1.841
  297   2HB   TYR  40          1HB       TYR  40  -1.134  -6.544   2.158
  298    HD1  TYR  40           HD1      TYR  40  -0.840  -5.850   4.342
  299    HD2  TYR  40           HD2      TYR  40  -2.095  -9.848   3.624
  300    HE1  TYR  40           HE1      TYR  40  -0.782  -6.296   6.758
  301    HE2  TYR  40           HE2      TYR  40  -2.045 -10.306   6.039
  302    HH   TYR  40           HH       TYR  40  -1.935  -7.941   8.353
  303    H    VAL  41           H        VAL  41  -4.083  -5.540   2.177
  304    HA   VAL  41           HA       VAL  41  -3.843  -4.693  -0.630
  305    HB   VAL  41           HB       VAL  41  -5.754  -3.041   0.171
  306   1HG1  VAL  41          1HG1      VAL  41  -6.318  -4.316  -1.635
  307   2HG1  VAL  41          2HG1      VAL  41  -7.329  -5.110  -0.427
  308   3HG1  VAL  41          3HG1      VAL  41  -5.780  -5.818  -0.884
  309   1HG2  VAL  41          1HG2      VAL  41  -5.463  -4.459   2.474
  310   2HG2  VAL  41          2HG2      VAL  41  -6.734  -5.382   1.681
  311   3HG2  VAL  41          3HG2      VAL  41  -6.957  -3.662   1.991
  312    H    LEU  42           H        LEU  42  -2.723  -2.984  -1.108
  313    HA   LEU  42           HA       LEU  42  -1.673  -1.362   1.091
  314   1HB   LEU  42          2HB       LEU  42   0.043  -2.462  -0.157
  315   2HB   LEU  42          1HB       LEU  42  -0.648  -1.937  -1.678
  316    HG   LEU  42           HG       LEU  42  -0.057   0.394  -1.149
  317   1HD1  LEU  42          1HD1      LEU  42   0.508  -0.826   1.451
  318   2HD1  LEU  42          2HD1      LEU  42   0.060   0.824   1.033
  319   3HD1  LEU  42          3HD1      LEU  42   1.737   0.303   0.883
  320   1HD2  LEU  42          1HD2      LEU  42   1.512  -1.305  -2.262
  321   2HD2  LEU  42          2HD2      LEU  42   2.366  -1.337  -0.718
  322   3HD2  LEU  42          3HD2      LEU  42   2.229   0.171  -1.621
  323    H    SER  43           H        SER  43  -1.910   0.822   1.080
  324    HA   SER  43           HA       SER  43  -3.245   1.977  -1.242
  325   1HB   SER  43          2HB       SER  43  -4.982   2.777  -0.125
  326   2HB   SER  43          1HB       SER  43  -4.552   1.589   1.103
  327    HG   SER  43           HG       SER  43  -4.273   3.237   2.362
  328    H    VAL  44           H        VAL  44  -2.977   4.197  -1.568
  329    HA   VAL  44           HA       VAL  44  -0.738   5.389  -0.108
  330    HB   VAL  44           HB       VAL  44   0.141   4.036  -2.059
  331   1HG1  VAL  44          1HG1      VAL  44  -1.799   5.336  -3.491
  332   2HG1  VAL  44          2HG1      VAL  44  -0.416   4.479  -4.173
  333   3HG1  VAL  44          3HG1      VAL  44  -0.335   6.220  -3.924
  334   1HG2  VAL  44          1HG2      VAL  44   0.772   6.813  -1.330
  335   2HG2  VAL  44          2HG2      VAL  44   1.470   6.247  -2.846
  336   3HG2  VAL  44          3HG2      VAL  44   1.794   5.378  -1.347
  337    H    ARG  45           H        ARG  45  -0.558   7.629  -0.250
  338    HA   ARG  45           HA       ARG  45  -2.978   9.025  -0.934
  339   1HB   ARG  45          2HB       ARG  45  -1.512   9.706   0.986
  340   2HB   ARG  45          1HB       ARG  45  -0.268  10.154  -0.171
  341   1HG   ARG  45          2HG       ARG  45  -2.249  11.630  -1.144
  342   2HG   ARG  45          1HG       ARG  45  -2.790  11.531   0.532
  343   1HD   ARG  45          2HD       ARG  45  -1.243  12.986   1.186
  344   2HD   ARG  45          1HD       ARG  45   0.037  12.062   0.409
  345    HE   ARG  45           HE       ARG  45   0.022  13.573  -1.294
  346   1HH1  ARG  45          2HH1      ARG  45  -3.009  13.829   0.412
  347   2HH1  ARG  45          1HH1      ARG  45  -3.513  15.249  -0.440
  348   1HH2  ARG  45          1HH2      ARG  45  -0.634  15.444  -2.412
  349   2HH2  ARG  45          2HH2      ARG  45  -2.166  16.165  -2.046
  350    H    ASP  46           H        ASP  46  -0.285   7.919  -2.548
  351    HA   ASP  46           HA       ASP  46   0.681   8.359  -4.579
  352   1HB   ASP  46          2HB       ASP  46  -2.002   9.510  -5.347
  353   2HB   ASP  46          1HB       ASP  46  -0.835   8.702  -6.391
  354    H    THR  47           H        THR  47  -1.066  10.893  -5.837
  355    HA   THR  47           HA       THR  47   0.929  12.841  -4.956
  356    HB   THR  47           HB       THR  47   0.985  12.374  -7.361
  357    HG1  THR  47           HG1      THR  47  -0.076  14.921  -6.711
  358   1HG2  THR  47          1HG2      THR  47  -0.800  12.858  -8.838
  359   2HG2  THR  47          2HG2      THR  47  -1.793  13.502  -7.531
  360   3HG2  THR  47          3HG2      THR  47  -1.429  11.777  -7.596
  361    H    GLN  48           H        GLN  48  -2.285  11.966  -4.676
  362    HA   GLN  48           HA       GLN  48  -2.961  14.295  -3.191
  363   1HB   GLN  48          2HB       GLN  48  -4.051  13.943  -5.949
  364   2HB   GLN  48          1HB       GLN  48  -5.068  14.660  -4.706
  365   1HG   GLN  48          2HG       GLN  48  -3.035  16.228  -4.319
  366   2HG   GLN  48          1HG       GLN  48  -2.556  15.703  -5.932
  367   1HE2  GLN  48          1HE2      GLN  48  -3.751  18.232  -4.573
  368   2HE2  GLN  48          2HE2      GLN  48  -4.959  18.732  -5.701
  369    H    ALA  49           H        ALA  49  -5.395  12.597  -4.963
  370    HA   ALA  49           HA       ALA  49  -6.804  11.771  -2.691
  371   1HB   ALA  49          1HB       ALA  49  -7.705  10.041  -4.568
  372   2HB   ALA  49          2HB       ALA  49  -6.983  11.286  -5.587
  373   3HB   ALA  49          3HB       ALA  49  -8.239  11.715  -4.427
  374    H    VAL  50           H        VAL  50  -7.450   9.225  -2.644
  375    HA   VAL  50           HA       VAL  50  -4.907   7.886  -2.067
  376    HB   VAL  50           HB       VAL  50  -7.693   7.183  -1.119
  377   1HG1  VAL  50          1HG1      VAL  50  -5.010   5.937  -0.518
  378   2HG1  VAL  50          2HG1      VAL  50  -6.399   5.169  -1.285
  379   3HG1  VAL  50          3HG1      VAL  50  -6.475   5.630   0.415
  380   1HG2  VAL  50          1HG2      VAL  50  -7.025   9.150  -0.013
  381   2HG2  VAL  50          2HG2      VAL  50  -5.368   8.578   0.172
  382   3HG2  VAL  50          3HG2      VAL  50  -6.666   7.838   1.107
  383    H    ARG  51           H        ARG  51  -4.432   5.858  -2.770
  384    HA   ARG  51           HA       ARG  51  -6.209   4.657  -4.774
  385   1HB   ARG  51          2HB       ARG  51  -3.220   5.050  -5.028
  386   2HB   ARG  51          1HB       ARG  51  -4.198   4.086  -6.126
  387   1HG   ARG  51          2HG       ARG  51  -5.547   6.226  -6.487
  388   2HG   ARG  51          1HG       ARG  51  -4.189   7.052  -5.735
  389   1HD   ARG  51          2HD       ARG  51  -2.946   6.884  -7.579
  390   2HD   ARG  51          1HD       ARG  51  -3.332   5.175  -7.772
  391    HE   ARG  51           HE       ARG  51  -4.584   7.401  -9.094
  392   1HH1  ARG  51          2HH1      ARG  51  -4.965   4.079  -8.095
  393   2HH1  ARG  51          1HH1      ARG  51  -6.164   3.726  -9.294
  394   1HH2  ARG  51          1HH2      ARG  51  -6.162   6.940 -10.670
  395   2HH2  ARG  51          2HH2      ARG  51  -6.844   5.349 -10.757
  396    H    HIS  52           H        HIS  52  -6.746   2.706  -4.048
  397    HA   HIS  52           HA       HIS  52  -5.076   1.403  -2.078
  398   1HB   HIS  52          2HB       HIS  52  -7.741   0.671  -3.333
  399   2HB   HIS  52          1HB       HIS  52  -6.920  -0.353  -2.158
  400    HD1  HIS  52           HD1      HIS  52  -6.159   1.283   0.050
  401    HD2  HIS  52           HD2      HIS  52  -9.606   2.143  -2.080
  402    HE1  HIS  52           HE1      HIS  52  -7.498   2.771   1.541
  403    HE2  HIS  52           HE2      HIS  52  -9.714   3.009   0.351
  404    H    TYR  53           H        TYR  53  -4.733  -1.050  -2.358
  405    HA   TYR  53           HA       TYR  53  -4.361  -1.917  -5.099
  406   1HB   TYR  53          2HB       TYR  53  -1.962  -1.675  -3.284
  407   2HB   TYR  53          1HB       TYR  53  -1.976  -2.175  -4.971
  408    HD1  TYR  53           HD1      TYR  53  -1.596   0.583  -2.727
  409    HD2  TYR  53           HD2      TYR  53  -2.780  -0.441  -6.681
  410    HE1  TYR  53           HE1      TYR  53  -1.223   2.901  -3.439
  411    HE2  TYR  53           HE2      TYR  53  -2.404   1.875  -7.407
  412    HH   TYR  53           HH       TYR  53  -2.189   4.050  -6.577
  413    H    LYS  54           H        LYS  54  -4.699  -4.044  -5.229
  414    HA   LYS  54           HA       LYS  54  -4.893  -5.622  -2.804
  415   1HB   LYS  54          2HB       LYS  54  -6.584  -5.816  -4.636
  416   2HB   LYS  54          1HB       LYS  54  -5.326  -6.464  -5.680
  417   1HG   LYS  54          2HG       LYS  54  -5.092  -8.406  -4.315
  418   2HG   LYS  54          1HG       LYS  54  -6.157  -7.730  -3.080
  419   1HD   LYS  54          2HD       LYS  54  -7.377  -9.352  -4.386
  420   2HD   LYS  54          1HD       LYS  54  -8.005  -7.738  -4.728
  421   1HE   LYS  54          2HE       LYS  54  -5.992  -8.081  -6.597
  422   2HE   LYS  54          1HE       LYS  54  -6.759  -9.666  -6.505
  423   1HZ   LYS  54          1HZ       LYS  54  -8.620  -8.908  -7.461
  424   2HZ   LYS  54          2HZ       LYS  54  -7.647  -7.641  -8.014
  425   3HZ   LYS  54          3HZ       LYS  54  -8.594  -7.435  -6.628
  426    H    ILE  55           H        ILE  55  -3.010  -6.307  -1.995
  427    HA   ILE  55           HA       ILE  55  -0.832  -7.072  -3.780
  428    HB   ILE  55           HB       ILE  55  -0.607  -7.358  -0.832
  429   1HG1  ILE  55          2HG1      ILE  55  -0.044  -4.636  -1.883
  430   2HG1  ILE  55          1HG1      ILE  55  -1.730  -5.041  -1.585
  431   1HG2  ILE  55          1HG2      ILE  55   1.554  -7.472  -1.289
  432   2HG2  ILE  55          2HG2      ILE  55   1.510  -5.921  -2.125
  433   3HG2  ILE  55          3HG2      ILE  55   1.140  -7.406  -3.002
  434   1HD1  ILE  55          1HD1      ILE  55   0.142  -4.153   0.259
  435   2HD1  ILE  55          2HD1      ILE  55  -0.088  -5.860   0.623
  436   3HD1  ILE  55          3HD1      ILE  55  -1.473  -4.770   0.592
  437    H    TRP  56           H        TRP  56  -1.485  -8.993  -4.641
  438    HA   TRP  56           HA       TRP  56  -2.545 -11.098  -2.978
  439   1HB   TRP  56          2HB       TRP  56  -3.079 -10.466  -5.482
  440   2HB   TRP  56          1HB       TRP  56  -1.720 -11.531  -5.817
  441    HD1  TRP  56           HD1      TRP  56  -2.285 -13.850  -3.756
  442    HE1  TRP  56           HE1      TRP  56  -4.322 -15.387  -4.069
  443    HE3  TRP  56           HE3      TRP  56  -5.138 -10.820  -6.723
  444    HZ2  TRP  56           HZ2      TRP  56  -6.811 -15.327  -5.401
  445    HZ3  TRP  56           HZ3      TRP  56  -7.333 -11.637  -7.477
  446    HH2  TRP  56           HH2      TRP  56  -8.151 -13.844  -6.829
  447    H    ARG  57           H        ARG  57  -1.535 -12.853  -2.240
  448    HA   ARG  57           HA       ARG  57   1.353 -12.934  -2.389
  449   1HB   ARG  57          2HB       ARG  57  -0.634 -13.784  -0.535
  450   2HB   ARG  57          1HB       ARG  57   0.276 -15.206  -1.025
  451   1HG   ARG  57          2HG       ARG  57   2.305 -14.301  -0.252
  452   2HG   ARG  57          1HG       ARG  57   1.615 -12.684  -0.100
  453   1HD   ARG  57          2HD       ARG  57   0.628 -13.145   1.887
  454   2HD   ARG  57          1HD       ARG  57   0.303 -14.824   1.458
  455    HE   ARG  57           HE       ARG  57   2.981 -14.797   1.747
  456   1HH1  ARG  57          2HH1      ARG  57   0.382 -13.662   3.783
  457   2HH1  ARG  57          1HH1      ARG  57   1.249 -13.939   5.257
  458   1HH2  ARG  57          1HH2      ARG  57   4.120 -15.163   3.683
  459   2HH2  ARG  57          2HH2      ARG  57   3.371 -14.791   5.200
  460    H    ARG  58           H        ARG  58   2.412 -15.109  -2.732
  461    HA   ARG  58           HA       ARG  58   1.172 -16.396  -5.068
  462   1HB   ARG  58          2HB       ARG  58   3.975 -15.759  -4.309
  463   2HB   ARG  58          1HB       ARG  58   3.702 -17.206  -5.266
  464   1HG   ARG  58          2HG       ARG  58   2.297 -15.590  -6.764
  465   2HG   ARG  58          1HG       ARG  58   3.281 -14.349  -5.986
  466   1HD   ARG  58          2HD       ARG  58   4.330 -15.026  -8.048
  467   2HD   ARG  58          1HD       ARG  58   5.308 -15.571  -6.686
  468    HE   ARG  58           HE       ARG  58   3.543 -17.624  -7.442
  469   1HH1  ARG  58          2HH1      ARG  58   6.387 -15.963  -8.596
  470   2HH1  ARG  58          1HH1      ARG  58   6.965 -17.320  -9.504
  471   1HH2  ARG  58          1HH2      ARG  58   4.302 -19.411  -8.636
  472   2HH2  ARG  58          2HH2      ARG  58   5.781 -19.278  -9.526
  473    H    ALA  59           H        ALA  59   0.678 -17.053  -2.216
  474    HA   ALA  59           HA       ALA  59   0.527 -18.857  -0.827
  475   1HB   ALA  59          1HB       ALA  59   0.233 -19.900  -3.575
  476   2HB   ALA  59          2HB       ALA  59  -0.877 -19.971  -2.207
  477   3HB   ALA  59          3HB       ALA  59   0.483 -21.091  -2.298
  478    H    GLY  60           H        GLY  60   3.257 -17.907  -1.570
  479   1HA   GLY  60          2HA       GLY  60   4.725 -19.952  -0.240
  480   2HA   GLY  60          1HA       GLY  60   5.092 -19.934  -1.958
  481    H    GLY  61           H        GLY  61   4.275 -17.025  -0.200
  482   1HA   GLY  61          2HA       GLY  61   5.597 -15.284   0.562
  483   2HA   GLY  61          1HA       GLY  61   7.016 -16.279   0.274
  484    H    ARG  62           H        ARG  62   4.586 -14.273  -1.341
  485    HA   ARG  62           HA       ARG  62   6.436 -12.839  -2.849
  486   1HB   ARG  62          2HB       ARG  62   6.006 -15.395  -3.935
  487   2HB   ARG  62          1HB       ARG  62   5.100 -14.287  -4.957
  488   1HG   ARG  62          2HG       ARG  62   6.967 -13.251  -5.733
  489   2HG   ARG  62          1HG       ARG  62   7.875 -13.529  -4.246
  490   1HD   ARG  62          2HD       ARG  62   7.231 -15.568  -6.372
  491   2HD   ARG  62          1HD       ARG  62   8.807 -14.850  -6.049
  492    HE   ARG  62           HE       ARG  62   7.527 -16.973  -4.578
  493   1HH1  ARG  62          2HH1      ARG  62   9.964 -14.475  -4.501
  494   2HH1  ARG  62          1HH1      ARG  62  10.888 -15.244  -3.255
  495   1HH2  ARG  62          1HH2      ARG  62   8.740 -17.982  -2.938
  496   2HH2  ARG  62          2HH2      ARG  62  10.194 -17.234  -2.367
  497    H    LEU  63           H        LEU  63   5.324 -11.041  -2.608
  498    HA   LEU  63           HA       LEU  63   2.453 -10.953  -3.054
  499   1HB   LEU  63          2HB       LEU  63   4.471  -9.000  -1.994
  500   2HB   LEU  63          1HB       LEU  63   2.856  -8.481  -2.434
  501    HG   LEU  63           HG       LEU  63   3.042  -8.904  -0.033
  502   1HD1  LEU  63          1HD1      LEU  63   1.043 -10.110   0.207
  503   2HD1  LEU  63          2HD1      LEU  63   1.347 -11.068  -1.242
  504   3HD1  LEU  63          3HD1      LEU  63   0.936  -9.360  -1.386
  505   1HD2  LEU  63          1HD2      LEU  63   3.338 -11.825  -0.559
  506   2HD2  LEU  63          2HD2      LEU  63   3.713 -10.900   0.895
  507   3HD2  LEU  63          3HD2      LEU  63   4.772 -10.801  -0.513
  508    H    HIS  64           H        HIS  64   1.443  -9.645  -4.578
  509    HA   HIS  64           HA       HIS  64   2.998  -8.150  -6.477
  510   1HB   HIS  64          2HB       HIS  64   2.292  -9.395  -8.453
  511   2HB   HIS  64          1HB       HIS  64   3.212 -10.434  -7.372
  512    HD1  HIS  64           HD1      HIS  64  -0.148  -9.997  -8.889
  513    HD2  HIS  64           HD2      HIS  64   1.706 -12.480  -6.122
  514    HE1  HIS  64           HE1      HIS  64  -1.717 -11.935  -8.568
  515    HE2  HIS  64           HE2      HIS  64  -0.620 -13.373  -6.814
  516    H    LEU  65           H        LEU  65   1.820  -6.334  -6.181
  517    HA   LEU  65           HA       LEU  65  -0.961  -6.280  -5.792
  518   1HB   LEU  65          2HB       LEU  65   0.941  -4.143  -6.733
  519   2HB   LEU  65          1HB       LEU  65  -0.757  -3.841  -6.411
  520    HG   LEU  65           HG       LEU  65  -0.324  -4.699  -4.056
  521   1HD1  LEU  65          1HD1      LEU  65   2.180  -4.258  -3.476
  522   2HD1  LEU  65          2HD1      LEU  65   2.434  -4.651  -5.175
  523   3HD1  LEU  65          3HD1      LEU  65   1.676  -5.825  -4.106
  524   1HD2  LEU  65          1HD2      LEU  65  -0.281  -2.546  -3.508
  525   2HD2  LEU  65          2HD2      LEU  65  -0.019  -2.174  -5.210
  526   3HD2  LEU  65          3HD2      LEU  65   1.358  -2.358  -4.125
  527    H    ASN  66           H        ASN  66   1.000  -6.517  -8.564
  528    HA   ASN  66           HA       ASN  66  -1.348  -6.685 -10.279
  529   1HB   ASN  66          2HB       ASN  66  -0.028  -4.359 -10.308
  530   2HB   ASN  66          1HB       ASN  66   0.998  -5.255 -11.423
  531   1HD2  ASN  66          1HD2      ASN  66  -2.492  -4.994 -10.816
  532   2HD2  ASN  66          2HD2      ASN  66  -2.928  -4.709 -12.463
  533    H    GLU  67           H        GLU  67  -0.509  -7.398 -12.588
  534    HA   GLU  67           HA       GLU  67   0.919  -9.854 -12.135
  535   1HB   GLU  67          2HB       GLU  67   0.436 -10.320 -14.496
  536   2HB   GLU  67          1HB       GLU  67  -1.007  -9.831 -13.619
  537   1HG   GLU  67          2HG       GLU  67  -0.201  -7.444 -14.559
  538   2HG   GLU  67          1HG       GLU  67   0.410  -8.504 -15.829
  539    H    ALA  68           H        ALA  68   2.340  -7.151 -12.006
  540    HA   ALA  68           HA       ALA  68   4.640  -8.007 -13.572
  541   1HB   ALA  68          1HB       ALA  68   4.018  -6.553 -15.187
  542   2HB   ALA  68          2HB       ALA  68   4.831  -5.402 -14.126
  543   3HB   ALA  68          3HB       ALA  68   3.074  -5.554 -14.083
  544    H    VAL  69           H        VAL  69   3.626  -7.386 -10.626
  545    HA   VAL  69           HA       VAL  69   6.193  -6.182  -9.846
  546    HB   VAL  69           HB       VAL  69   5.139  -4.811  -8.134
  547   1HG1  VAL  69          1HG1      VAL  69   4.881  -3.118  -9.567
  548   2HG1  VAL  69          2HG1      VAL  69   3.514  -3.891 -10.368
  549   3HG1  VAL  69          3HG1      VAL  69   5.162  -4.307 -10.837
  550   1HG2  VAL  69          1HG2      VAL  69   3.017  -5.012  -7.470
  551   2HG2  VAL  69          2HG2      VAL  69   2.968  -6.492  -8.427
  552   3HG2  VAL  69          3HG2      VAL  69   2.410  -4.972  -9.125
  553    H    SER  70           H        SER  70   6.200  -8.746  -9.691
  554    HA   SER  70           HA       SER  70   5.060  -9.738  -7.221
  555   1HB   SER  70          2HB       SER  70   7.049 -11.334  -8.763
  556   2HB   SER  70          1HB       SER  70   5.549 -11.847  -7.990
  557    HG   SER  70           HG       SER  70   4.518 -11.481  -9.784
  558    H    PHE  71           H        PHE  71   6.082 -10.015  -5.321
  559    HA   PHE  71           HA       PHE  71   8.965 -10.058  -5.139
  560   1HB   PHE  71          2HB       PHE  71   7.478  -7.615  -4.675
  561   2HB   PHE  71          1HB       PHE  71   8.374  -8.108  -3.240
  562    HD1  PHE  71           HD1      PHE  71  10.854  -8.637  -3.523
  563    HD2  PHE  71           HD2      PHE  71   8.561  -6.547  -6.436
  564    HE1  PHE  71           HE1      PHE  71  12.924  -7.747  -4.508
  565    HE2  PHE  71           HE2      PHE  71  10.629  -5.651  -7.425
  566    HZ   PHE  71           HZ       PHE  71  12.814  -6.251  -6.461
  567    H    LEU  72           H        LEU  72   9.512 -11.444  -3.720
  568    HA   LEU  72           HA       LEU  72   8.253 -13.224  -2.320
  569   1HB   LEU  72          2HB       LEU  72  10.046 -12.956  -0.489
  570   2HB   LEU  72          1HB       LEU  72  10.539 -13.312  -2.135
  571    HG   LEU  72           HG       LEU  72  10.737 -10.694  -2.325
  572   1HD1  LEU  72          1HD1      LEU  72  10.229 -11.117   0.490
  573   2HD1  LEU  72          2HD1      LEU  72  10.319  -9.614  -0.425
  574   3HD1  LEU  72          3HD1      LEU  72  11.787 -10.335   0.233
  575   1HD2  LEU  72          1HD2      LEU  72  12.970 -11.020  -2.284
  576   2HD2  LEU  72          2HD2      LEU  72  12.506 -12.717  -2.144
  577   3HD2  LEU  72          3HD2      LEU  72  12.940 -11.800  -0.701
  578    H    SER  73           H        SER  73   8.498  -9.900  -1.048
  579    HA   SER  73           HA       SER  73   6.275 -10.496   0.729
  580   1HB   SER  73          2HB       SER  73   8.538 -10.937   1.895
  581   2HB   SER  73          1HB       SER  73   8.695  -9.181   1.918
  582    HG   SER  73           HG       SER  73   6.456 -10.586   2.949
  583    H    LEU  74           H        LEU  74   5.447  -8.545   1.860
  584    HA   LEU  74           HA       LEU  74   4.814  -6.504   0.116
  585   1HB   LEU  74          2HB       LEU  74   4.406  -7.057   2.891
  586   2HB   LEU  74          1HB       LEU  74   4.841  -5.369   2.708
  587    HG   LEU  74           HG       LEU  74   2.562  -5.277   2.568
  588   1HD1  LEU  74          1HD1      LEU  74   3.822  -4.479   0.430
  589   2HD1  LEU  74          2HD1      LEU  74   2.060  -4.507   0.459
  590   3HD1  LEU  74          3HD1      LEU  74   2.948  -5.803  -0.339
  591   1HD2  LEU  74          1HD2      LEU  74   1.948  -7.373   0.655
  592   2HD2  LEU  74          2HD2      LEU  74   1.222  -7.022   2.222
  593   3HD2  LEU  74          3HD2      LEU  74   2.692  -7.990   2.131
  594    HA   PRO  75           HA       PRO  75   8.351  -3.908   2.558
  595   1HB   PRO  75          2HB       PRO  75  10.157  -6.288   2.661
  596   2HB   PRO  75          1HB       PRO  75  10.047  -4.913   3.766
  597   1HG   PRO  75          2HG       PRO  75   8.988  -7.283   4.399
  598   2HG   PRO  75          1HG       PRO  75   8.196  -5.766   4.857
  599   1HD   PRO  75          2HD       PRO  75   7.452  -7.734   2.772
  600   2HD   PRO  75          1HD       PRO  75   6.425  -6.621   3.695
  601    H    GLU  76           H        GLU  76   9.558  -6.709   0.710
  602    HA   GLU  76           HA       GLU  76  11.253  -5.134  -0.939
  603   1HB   GLU  76          2HB       GLU  76  10.193  -7.925  -1.429
  604   2HB   GLU  76          1HB       GLU  76  11.581  -7.187  -2.215
  605   1HG   GLU  76          2HG       GLU  76  11.313  -7.996   0.664
  606   2HG   GLU  76          1HG       GLU  76  12.400  -8.661  -0.555
  607    H    LEU  77           H        LEU  77   8.010  -6.434  -1.250
  608    HA   LEU  77           HA       LEU  77   7.558  -5.872  -3.955
  609   1HB   LEU  77          2HB       LEU  77   5.935  -7.226  -3.066
  610   2HB   LEU  77          1HB       LEU  77   5.872  -6.346  -1.555
  611    HG   LEU  77           HG       LEU  77   3.805  -6.281  -3.031
  612   1HD1  LEU  77          1HD1      LEU  77   3.211  -4.486  -1.865
  613   2HD1  LEU  77          2HD1      LEU  77   4.413  -3.468  -2.658
  614   3HD1  LEU  77          3HD1      LEU  77   4.869  -4.451  -1.267
  615   1HD2  LEU  77          1HD2      LEU  77   4.099  -5.703  -5.154
  616   2HD2  LEU  77          2HD2      LEU  77   5.740  -5.139  -4.853
  617   3HD2  LEU  77          3HD2      LEU  77   4.373  -4.057  -4.589
  618    H    VAL  78           H        VAL  78   6.916  -3.911  -1.066
  619    HA   VAL  78           HA       VAL  78   5.902  -1.674  -2.475
  620    HB   VAL  78           HB       VAL  78   7.077  -1.918   0.300
  621   1HG1  VAL  78          1HG1      VAL  78   7.008   0.284   0.587
  622   2HG1  VAL  78          2HG1      VAL  78   5.368   0.370  -0.052
  623   3HG1  VAL  78          3HG1      VAL  78   6.743   0.458  -1.145
  624   1HG2  VAL  78          1HG2      VAL  78   5.101  -2.954   0.593
  625   2HG2  VAL  78          2HG2      VAL  78   4.412  -2.276  -0.882
  626   3HG2  VAL  78          3HG2      VAL  78   4.447  -1.316   0.595
  627    H    ASN  79           H        ASN  79   9.115  -2.709  -1.518
  628    HA   ASN  79           HA       ASN  79  10.555  -0.360  -1.853
  629   1HB   ASN  79          2HB       ASN  79  11.151  -3.111  -1.541
  630   2HB   ASN  79          1HB       ASN  79  12.051  -2.559  -2.950
  631   1HD2  ASN  79          1HD2      ASN  79  14.000  -1.865  -2.511
  632   2HD2  ASN  79          2HD2      ASN  79  14.514  -1.114  -1.043
  633    H    TYR  80           H        TYR  80   9.728  -2.827  -4.272
  634    HA   TYR  80           HA       TYR  80  10.904  -1.491  -6.469
  635   1HB   TYR  80          2HB       TYR  80  10.384  -3.863  -6.587
  636   2HB   TYR  80          1HB       TYR  80   8.671  -3.534  -6.362
  637    HD1  TYR  80           HD1      TYR  80  11.280  -4.004  -8.733
  638    HD2  TYR  80           HD2      TYR  80   7.508  -2.116  -8.181
  639    HE1  TYR  80           HE1      TYR  80  11.000  -3.865 -11.172
  640    HE2  TYR  80           HE2      TYR  80   7.217  -1.973 -10.619
  641    HH   TYR  80           HH       TYR  80   9.776  -2.643 -12.821
  642    H    HIS  81           H        HIS  81   7.792  -1.308  -4.897
  643    HA   HIS  81           HA       HIS  81   6.414   0.143  -6.889
  644   1HB   HIS  81          2HB       HIS  81   5.999  -0.524  -4.045
  645   2HB   HIS  81          1HB       HIS  81   5.228   0.964  -4.579
  646    HD1  HIS  81           HD1      HIS  81   4.548  -0.118  -7.474
  647    HD2  HIS  81           HD2      HIS  81   3.634  -1.976  -3.874
  648    HE1  HIS  81           HE1      HIS  81   2.650  -1.676  -7.994
  649    HE2  HIS  81           HE2      HIS  81   2.227  -2.903  -5.843
  650    H    ARG  82           H        ARG  82   8.623   1.064  -4.334
  651    HA   ARG  82           HA       ARG  82   8.044   3.838  -4.475
  652   1HB   ARG  82          2HB       ARG  82   9.013   2.921  -2.448
  653   2HB   ARG  82          1HB       ARG  82  10.427   2.381  -3.343
  654   1HG   ARG  82          2HG       ARG  82  11.141   4.631  -3.711
  655   2HG   ARG  82          1HG       ARG  82   9.635   5.269  -3.045
  656   1HD   ARG  82          2HD       ARG  82  10.190   4.546  -0.859
  657   2HD   ARG  82          1HD       ARG  82  11.526   3.558  -1.449
  658    HE   ARG  82           HE       ARG  82  12.134   6.130  -2.198
  659   1HH1  ARG  82          2HH1      ARG  82  11.496   4.481   0.810
  660   2HH1  ARG  82          1HH1      ARG  82  12.511   5.528   1.744
  661   1HH2  ARG  82          1HH2      ARG  82  13.469   7.508  -0.972
  662   2HH2  ARG  82          2HH2      ARG  82  13.630   7.248   0.733
  663    H    ALA  83           H        ALA  83  10.152   1.719  -6.141
  664    HA   ALA  83           HA       ALA  83  11.703   3.814  -7.355
  665   1HB   ALA  83          1HB       ALA  83  11.604   1.185  -8.685
  666   2HB   ALA  83          2HB       ALA  83  12.153   1.165  -7.009
  667   3HB   ALA  83          3HB       ALA  83  12.993   2.159  -8.200
  668    H    GLN  84           H        GLN  84   9.565   1.353  -8.712
  669    HA   GLN  84           HA       GLN  84   8.800   3.187 -10.863
  670   1HB   GLN  84          2HB       GLN  84   8.418   0.204 -10.577
  671   2HB   GLN  84          1HB       GLN  84   7.857   1.154 -11.945
  672   1HG   GLN  84          2HG       GLN  84  10.733   0.922 -11.094
  673   2HG   GLN  84          1HG       GLN  84   9.977  -0.047 -12.359
  674   1HE2  GLN  84          1HE2      GLN  84  11.044   3.140 -11.436
  675   2HE2  GLN  84          2HE2      GLN  84  11.040   3.819 -13.024
  676    H    SER  85           H        SER  85   6.619   3.568 -11.400
  677    HA   SER  85           HA       SER  85   4.774   3.292  -9.134
  678   1HB   SER  85          2HB       SER  85   3.453   4.762 -11.071
  679   2HB   SER  85          1HB       SER  85   4.357   5.430  -9.712
  680    HG   SER  85           HG       SER  85   6.188   5.526 -11.070
  681    H    LEU  86           H        LEU  86   5.597   1.198 -11.231
  682    HA   LEU  86           HA       LEU  86   3.677   0.561 -13.049
  683   1HB   LEU  86          2HB       LEU  86   5.855  -0.679 -12.278
  684   2HB   LEU  86          1HB       LEU  86   4.741  -1.614 -11.300
  685    HG   LEU  86           HG       LEU  86   4.338  -1.305 -14.260
  686   1HD1  LEU  86          1HD1      LEU  86   5.470  -3.493 -14.506
  687   2HD1  LEU  86          2HD1      LEU  86   6.007  -3.365 -12.831
  688   3HD1  LEU  86          3HD1      LEU  86   6.559  -2.191 -14.025
  689   1HD2  LEU  86          1HD2      LEU  86   3.071  -3.358 -14.008
  690   2HD2  LEU  86          2HD2      LEU  86   2.461  -2.125 -12.903
  691   3HD2  LEU  86          3HD2      LEU  86   3.484  -3.426 -12.295
  692    H    SER  87           H        SER  87   1.574   0.217 -12.989
  693    HA   SER  87           HA       SER  87  -0.541  -0.028 -12.155
  694   1HB   SER  87          2HB       SER  87   0.449  -2.396 -12.353
  695   2HB   SER  87          1HB       SER  87   0.582  -2.348 -10.596
  696    HG   SER  87           HG       SER  87  -1.524  -2.508 -10.420
  697    H    HIS  88           H        HIS  88   1.255   1.674 -10.565
  698    HA   HIS  88           HA       HIS  88  -0.337   1.675  -8.127
  699   1HB   HIS  88          2HB       HIS  88   1.816   0.381  -7.739
  700   2HB   HIS  88          1HB       HIS  88   2.670   1.901  -7.973
  701    HD1  HIS  88           HD1      HIS  88   1.601  -0.137  -5.354
  702    HD2  HIS  88           HD2      HIS  88   1.319   3.941  -6.071
  703    HE1  HIS  88           HE1      HIS  88   1.229   0.918  -3.105
  704    HE2  HIS  88           HE2      HIS  88   1.154   3.394  -3.553
  705    H    GLY  89           H        GLY  89  -1.263   3.574  -8.234
  706   1HA   GLY  89          2HA       GLY  89  -1.055   5.762  -9.594
  707   2HA   GLY  89          1HA       GLY  89  -1.279   5.898  -7.864
  708    H    LEU  90           H        LEU  90   1.011   5.619  -6.689
  709    HA   LEU  90           HA       LEU  90   3.005   7.206  -8.134
  710   1HB   LEU  90          2HB       LEU  90   1.374   8.472  -6.475
  711   2HB   LEU  90          1HB       LEU  90   2.480   7.841  -5.271
  712    HG   LEU  90           HG       LEU  90   4.113   8.989  -7.245
  713   1HD1  LEU  90          1HD1      LEU  90   1.753  10.092  -7.766
  714   2HD1  LEU  90          2HD1      LEU  90   3.262  10.999  -7.868
  715   3HD1  LEU  90          3HD1      LEU  90   2.243  11.138  -6.435
  716   1HD2  LEU  90          1HD2      LEU  90   3.246  10.074  -4.568
  717   2HD2  LEU  90          2HD2      LEU  90   4.681  10.563  -5.471
  718   3HD2  LEU  90          3HD2      LEU  90   4.551   8.920  -4.843
  719    H    ARG  91           H        ARG  91   5.087   7.315  -6.881
  720    HA   ARG  91           HA       ARG  91   5.879   4.653  -6.197
  721   1HB   ARG  91          2HB       ARG  91   7.302   7.303  -6.297
  722   2HB   ARG  91          1HB       ARG  91   8.097   5.849  -5.720
  723   1HG   ARG  91          2HG       ARG  91   8.024   4.830  -7.813
  724   2HG   ARG  91          1HG       ARG  91   6.763   5.919  -8.399
  725   1HD   ARG  91          2HD       ARG  91   9.514   6.878  -7.652
  726   2HD   ARG  91          1HD       ARG  91   9.120   6.314  -9.274
  727    HE   ARG  91           HE       ARG  91   8.250   8.781  -8.018
  728   1HH1  ARG  91          2HH1      ARG  91   7.857   6.550 -10.678
  729   2HH1  ARG  91          1HH1      ARG  91   7.108   7.721 -11.709
  730   1HH2  ARG  91          1HH2      ARG  91   7.263  10.317  -9.376
  731   2HH2  ARG  91          2HH2      ARG  91   6.771   9.857 -10.972
  732    H    LEU  92           H        LEU  92   5.799   3.742  -4.251
  733    HA   LEU  92           HA       LEU  92   4.862   4.923  -1.926
  734   1HB   LEU  92          2HB       LEU  92   6.399   2.463  -2.548
  735   2HB   LEU  92          1HB       LEU  92   6.300   2.955  -0.871
  736    HG   LEU  92           HG       LEU  92   4.196   2.217  -0.669
  737   1HD1  LEU  92          1HD1      LEU  92   3.509   3.256  -3.404
  738   2HD1  LEU  92          2HD1      LEU  92   3.270   4.119  -1.887
  739   3HD1  LEU  92          3HD1      LEU  92   2.373   2.639  -2.205
  740   1HD2  LEU  92          1HD2      LEU  92   5.480   0.690  -2.589
  741   2HD2  LEU  92          2HD2      LEU  92   3.827   0.890  -3.169
  742   3HD2  LEU  92          3HD2      LEU  92   4.127   0.218  -1.566
  743    H    ALA  93           H        ALA  93   5.803   6.889  -1.471
  744    HA   ALA  93           HA       ALA  93   8.673   7.134  -1.222
  745   1HB   ALA  93          1HB       ALA  93   7.500   8.962  -2.216
  746   2HB   ALA  93          2HB       ALA  93   8.164   9.500  -0.673
  747   3HB   ALA  93          3HB       ALA  93   6.448   9.116  -0.808
  748    H    ALA  94           H        ALA  94   6.239   8.404   1.051
  749    HA   ALA  94           HA       ALA  94   7.943   7.410   3.242
  750   1HB   ALA  94          1HB       ALA  94   7.679   9.358   4.321
  751   2HB   ALA  94          2HB       ALA  94   5.967   9.469   3.907
  752   3HB   ALA  94          3HB       ALA  94   7.191   9.978   2.744
  753    HA   PRO  95           HA       PRO  95   4.644   4.976   4.884
  754   1HB   PRO  95          2HB       PRO  95   4.822   5.326   7.546
  755   2HB   PRO  95          1HB       PRO  95   6.072   4.484   6.627
  756   1HG   PRO  95          2HG       PRO  95   6.033   7.317   7.596
  757   2HG   PRO  95          1HG       PRO  95   7.353   6.133   7.660
  758   1HD   PRO  95          2HD       PRO  95   7.197   8.070   5.760
  759   2HD   PRO  95          1HD       PRO  95   7.943   6.488   5.463
  760    H    CYS  96           H        CYS  96   2.552   4.976   5.803
  761    HA   CYS  96           HA       CYS  96   1.112   7.398   5.478
  762   1HB   CYS  96          2HB       CYS  96   0.404   4.805   5.380
  763   2HB   CYS  96          1HB       CYS  96  -0.129   5.182   7.014
  764    HG   CYS  96           HG       CYS  96  -2.150   6.023   5.926
  765    H    ARG  97           H        ARG  97   0.729   8.975   6.888
  766    HA   ARG  97           HA       ARG  97   1.639   8.653   9.631
  767   1HB   ARG  97          2HB       ARG  97   1.315  10.863   7.776
  768   2HB   ARG  97          1HB       ARG  97   0.621  11.233   9.348
  769   1HG   ARG  97          2HG       ARG  97   2.709  11.900   9.819
  770   2HG   ARG  97          1HG       ARG  97   2.976  10.180  10.112
  771   1HD   ARG  97          2HD       ARG  97   3.667   9.974   7.713
  772   2HD   ARG  97          1HD       ARG  97   3.591  11.732   7.604
  773    HE   ARG  97           HE       ARG  97   5.227  11.310   9.717
  774   1HH1  ARG  97          2HH1      ARG  97   5.211  10.130   6.433
  775   2HH1  ARG  97          1HH1      ARG  97   6.933   9.969   6.350
  776   1HH2  ARG  97          1HH2      ARG  97   7.491  11.100   9.611
  777   2HH2  ARG  97          2HH2      ARG  97   8.228  10.521   8.154
  778    H    LYS  98           H        LYS  98   0.360   8.462  11.360
  779    HA   LYS  98           HA       LYS  98  -2.526   8.938  11.022
  780   1HB   LYS  98          2HB       LYS  98  -1.811   6.481  11.033
  781   2HB   LYS  98          1HB       LYS  98  -1.400   6.722  12.725
  782   1HG   LYS  98          2HG       LYS  98  -3.576   6.877  13.379
  783   2HG   LYS  98          1HG       LYS  98  -4.113   7.526  11.829
  784   1HD   LYS  98          2HD       LYS  98  -4.367   5.462  10.897
  785   2HD   LYS  98          1HD       LYS  98  -3.064   4.752  11.852
  786   1HE   LYS  98          2HE       LYS  98  -4.583   4.944  13.853
  787   2HE   LYS  98          1HE       LYS  98  -5.877   5.368  12.733
  788   1HZ   LYS  98          1HZ       LYS  98  -4.379   2.953  12.113
  789   2HZ   LYS  98          2HZ       LYS  98  -6.036   3.263  11.982
  790   3HZ   LYS  98          3HZ       LYS  98  -5.364   2.881  13.486
  791    H    HIS  99           H        HIS  99  -3.416  10.209  12.520
  792    HA   HIS  99           HA       HIS  99  -2.353  10.351  15.204
  793   1HB   HIS  99          2HB       HIS  99  -0.965  11.956  13.837
  794   2HB   HIS  99          1HB       HIS  99  -2.438  12.879  13.549
  795    HD1  HIS  99           HD1      HIS  99  -0.222  11.773  16.417
  796    HD2  HIS  99           HD2      HIS  99  -3.074  14.658  15.521
  797    HE1  HIS  99           HE1      HIS  99  -0.234  13.339  18.383
  798    HE2  HIS  99           HE2      HIS  99  -1.893  15.133  17.772
  799    H    GLU 100           HN       GLU 100  -4.818   9.469  14.194
  800    HA   GLU 100           HA       GLU 100  -6.596  11.167  15.705
  801   1HB   GLU 100          2HB       GLU 100  -6.429  11.642  12.983
  802   2HB   GLU 100          1HB       GLU 100  -7.827  10.584  13.123
  803   1HG   GLU 100          2HG       GLU 100  -8.686  12.154  14.898
  804   2HG   GLU 100          1HG       GLU 100  -7.396  13.257  14.421
  Start of MODEL    7
    1   1H    SER   1          1H        SER   1   9.648   7.086   5.674
    2   2H    SER   1          2H        SER   1   8.830   6.393   4.334
    3   3H    SER   1          3H        SER   1  10.363   7.133   4.117
    4    HA   SER   1           HA       SER   1  10.900   4.961   4.121
    5   1HB   SER   1          2HB       SER   1  11.345   6.462   6.570
    6   2HB   SER   1          1HB       SER   1  11.371   4.724   6.868
    7    HG   SER   1           HG       SER   1  12.832   4.694   4.944
    8    H    GLU   2           H        GLU   2   9.638   3.263   3.737
    9    HA   GLU   2           HA       GLU   2   8.323   1.447   4.101
   10   1HB   GLU   2          2HB       GLU   2   8.266   2.191   7.022
   11   2HB   GLU   2          1HB       GLU   2   7.993   0.607   6.311
   12   1HG   GLU   2          2HG       GLU   2  10.611   1.858   5.771
   13   2HG   GLU   2          1HG       GLU   2  10.303   1.344   7.429
   14    HA   PRO   3           HA       PRO   3   4.190   3.057   4.170
   15   1HB   PRO   3          2HB       PRO   3   3.012   0.465   4.530
   16   2HB   PRO   3          1HB       PRO   3   3.263   1.332   3.020
   17   1HG   PRO   3          2HG       PRO   3   4.553  -1.002   3.723
   18   2HG   PRO   3          1HG       PRO   3   5.163   0.157   2.534
   19   1HD   PRO   3          2HD       PRO   3   5.927  -0.201   5.403
   20   2HD   PRO   3          1HD       PRO   3   6.951   0.163   3.997
   21    H    TRP   4           H        TRP   4   4.117   0.209   6.244
   22    HA   TRP   4           HA       TRP   4   4.008   0.470   8.709
   23   1HB   TRP   4          2HB       TRP   4   1.893   2.460   7.883
   24   2HB   TRP   4          1HB       TRP   4   1.906   1.721   9.476
   25    HD1  TRP   4           HD1      TRP   4   2.123   4.719   9.547
   26    HE1  TRP   4           HE1      TRP   4   4.264   5.961  10.235
   27    HE3  TRP   4           HE3      TRP   4   5.570   1.024   8.637
   28    HZ2  TRP   4           HZ2      TRP   4   7.028   5.459  10.379
   29    HZ3  TRP   4           HZ3      TRP   4   7.935   1.500   9.082
   30    HH2  TRP   4           HH2      TRP   4   8.650   3.672   9.934
   31    H    PHE   5           H        PHE   5   3.634  -1.694   8.413
   32    HA   PHE   5           HA       PHE   5   1.432  -2.833   7.153
   33   1HB   PHE   5          2HB       PHE   5   2.042  -4.902   8.237
   34   2HB   PHE   5          1HB       PHE   5   3.511  -4.048   7.778
   35    HD1  PHE   5           HD1      PHE   5   4.789  -2.801   9.554
   36    HD2  PHE   5           HD2      PHE   5   1.629  -5.506  10.458
   37    HE1  PHE   5           HE1      PHE   5   5.608  -2.977  11.867
   38    HE2  PHE   5           HE2      PHE   5   2.442  -5.687  12.773
   39    HZ   PHE   5           HZ       PHE   5   4.433  -4.422  13.480
   40    H    PHE   6           H        PHE   6  -0.580  -2.274   7.623
   41    HA   PHE   6           HA       PHE   6  -1.482  -2.597  10.410
   42   1HB   PHE   6          2HB       PHE   6  -1.869  -0.329   8.542
   43   2HB   PHE   6          1HB       PHE   6  -3.295  -0.835   9.441
   44    HD1  PHE   6           HD1      PHE   6   0.020   0.666   9.655
   45    HD2  PHE   6           HD2      PHE   6  -3.393  -0.612  11.852
   46    HE1  PHE   6           HE1      PHE   6   0.804   1.941  11.607
   47    HE2  PHE   6           HE2      PHE   6  -2.616   0.661  13.808
   48    HZ   PHE   6           HZ       PHE   6  -0.514   1.940  13.688
   49    H    GLY   7           H        GLY   7  -2.165  -4.713   9.976
   50   1HA   GLY   7          2HA       GLY   7  -3.921  -5.253   7.761
   51   2HA   GLY   7          1HA       GLY   7  -3.410  -6.394   8.994
   52    H    CYS   8           H        CYS   8  -4.624  -3.478  10.269
   53    HA   CYS   8           HA       CYS   8  -7.245  -4.719  10.589
   54   1HB   CYS   8          2HB       CYS   8  -5.507  -4.626  12.619
   55   2HB   CYS   8          1HB       CYS   8  -6.230  -3.032  12.810
   56    HG   CYS   8           HG       CYS   8  -8.562  -4.644  12.766
   57    H    ILE   9           H        ILE   9  -5.959  -2.375   8.975
   58    HA   ILE   9           HA       ILE   9  -7.708  -0.208   9.873
   59    HB   ILE   9           HB       ILE   9  -6.558   1.165   8.160
   60   1HG1  ILE   9          2HG1      ILE   9  -4.267  -0.511   7.739
   61   2HG1  ILE   9          1HG1      ILE   9  -5.709  -1.366   7.204
   62   1HG2  ILE   9          1HG2      ILE   9  -5.624   1.496  10.226
   63   2HG2  ILE   9          2HG2      ILE   9  -4.221   0.940   9.314
   64   3HG2  ILE   9          3HG2      ILE   9  -5.084  -0.177  10.372
   65   1HD1  ILE   9          1HD1      ILE   9  -5.081   1.441   6.356
   66   2HD1  ILE   9          2HD1      ILE   9  -6.251   0.322   5.656
   67   3HD1  ILE   9          3HD1      ILE   9  -4.523   0.020   5.474
   68    H    SER  10           H        SER  10  -9.735  -0.442   9.164
   69    HA   SER  10           HA       SER  10 -10.526  -1.821   6.858
   70   1HB   SER  10          2HB       SER  10 -12.683  -0.429   7.165
   71   2HB   SER  10          1HB       SER  10 -12.204  -1.510   8.474
   72    HG   SER  10           HG       SER  10 -12.622   0.387   9.460
   73    H    ARG  11           H        ARG  11 -11.969  -0.606   5.158
   74    HA   ARG  11           HA       ARG  11 -10.214   0.953   3.586
   75   1HB   ARG  11          2HB       ARG  11 -12.477  -0.511   3.098
   76   2HB   ARG  11          1HB       ARG  11 -13.068   1.135   2.912
   77   1HG   ARG  11          2HG       ARG  11 -11.189   1.536   1.310
   78   2HG   ARG  11          1HG       ARG  11 -10.832  -0.190   1.398
   79   1HD   ARG  11          2HD       ARG  11 -13.036  -0.727   0.563
   80   2HD   ARG  11          1HD       ARG  11 -13.489   0.977   0.581
   81    HE   ARG  11           HE       ARG  11 -11.202   0.601  -1.029
   82   1HH1  ARG  11          2HH1      ARG  11 -14.643   0.015  -1.011
   83   2HH1  ARG  11          1HH1      ARG  11 -14.787   0.066  -2.736
   84   1HH2  ARG  11          1HH2      ARG  11 -11.391   0.667  -3.299
   85   2HH2  ARG  11          2HH2      ARG  11 -12.942   0.434  -4.035
   86    H    SER  12           H        SER  12 -12.266   1.784   6.128
   87    HA   SER  12           HA       SER  12 -12.878   4.453   5.257
   88   1HB   SER  12          2HB       SER  12 -14.027   2.805   7.075
   89   2HB   SER  12          1HB       SER  12 -13.054   3.820   8.142
   90    HG   SER  12           HG       SER  12 -14.381   5.407   7.798
   91    H    GLU  13           H        GLU  13 -10.401   2.922   7.218
   92    HA   GLU  13           HA       GLU  13  -9.390   5.429   8.218
   93   1HB   GLU  13          2HB       GLU  13  -7.768   2.922   8.259
   94   2HB   GLU  13          1HB       GLU  13  -7.845   4.221   9.440
   95   1HG   GLU  13          2HG       GLU  13  -9.953   2.125   8.952
   96   2HG   GLU  13          1HG       GLU  13  -8.853   2.210  10.326
   97    H    ALA  14           H        ALA  14  -8.264   3.014   5.852
   98    HA   ALA  14           HA       ALA  14  -5.886   4.308   5.182
   99   1HB   ALA  14          1HB       ALA  14  -6.421   1.983   4.581
  100   2HB   ALA  14          2HB       ALA  14  -5.867   2.926   3.198
  101   3HB   ALA  14          3HB       ALA  14  -7.585   2.573   3.395
  102    H    VAL  15           H        VAL  15  -9.123   4.593   3.746
  103    HA   VAL  15           HA       VAL  15  -8.358   6.374   1.685
  104    HB   VAL  15           HB       VAL  15 -11.067   6.155   3.008
  105   1HG1  VAL  15          1HG1      VAL  15 -11.838   7.654   1.555
  106   2HG1  VAL  15          2HG1      VAL  15 -11.042   6.851   0.202
  107   3HG1  VAL  15          3HG1      VAL  15 -10.158   8.030   1.171
  108   1HG2  VAL  15          1HG2      VAL  15  -9.844   4.103   1.836
  109   2HG2  VAL  15          2HG2      VAL  15 -10.490   4.886   0.394
  110   3HG2  VAL  15          3HG2      VAL  15 -11.579   4.380   1.685
  111    H    ARG  16           H        ARG  16  -9.548   6.940   4.982
  112    HA   ARG  16           HA       ARG  16  -9.399   9.806   4.648
  113   1HB   ARG  16          2HB       ARG  16 -10.392   7.945   6.707
  114   2HB   ARG  16          1HB       ARG  16  -9.732   9.453   7.324
  115   1HG   ARG  16          2HG       ARG  16 -11.794  10.243   6.998
  116   2HG   ARG  16          1HG       ARG  16 -11.313  10.349   5.303
  117   1HD   ARG  16          2HD       ARG  16 -12.566   8.553   4.693
  118   2HD   ARG  16          1HD       ARG  16 -12.357   7.743   6.245
  119    HE   ARG  16           HE       ARG  16 -13.931   9.905   6.802
  120   1HH1  ARG  16          2HH1      ARG  16 -14.145   7.207   4.599
  121   2HH1  ARG  16          1HH1      ARG  16 -15.876   7.169   4.617
  122   1HH2  ARG  16          1HH2      ARG  16 -16.207   9.856   6.827
  123   2HH2  ARG  16          2HH2      ARG  16 -17.047   8.672   5.881
  124    H    ARG  17           H        ARG  17  -7.296   7.318   5.529
  125    HA   ARG  17           HA       ARG  17  -5.568   8.893   7.210
  126   1HB   ARG  17          2HB       ARG  17  -5.649   6.552   7.697
  127   2HB   ARG  17          1HB       ARG  17  -5.339   6.123   6.020
  128   1HG   ARG  17          2HG       ARG  17  -3.070   7.065   6.225
  129   2HG   ARG  17          1HG       ARG  17  -3.392   7.414   7.924
  130   1HD   ARG  17          2HD       ARG  17  -4.031   4.852   7.963
  131   2HD   ARG  17          1HD       ARG  17  -2.960   4.802   6.563
  132    HE   ARG  17           HE       ARG  17  -1.820   6.155   8.824
  133   1HH1  ARG  17          2HH1      ARG  17  -2.339   3.044   7.329
  134   2HH1  ARG  17          1HH1      ARG  17  -0.981   2.303   8.107
  135   1HH2  ARG  17          1HH2      ARG  17  -0.033   5.181   9.848
  136   2HH2  ARG  17          2HH2      ARG  17   0.328   3.516   9.538
  137    H    LEU  18           H        LEU  18  -5.297   7.421   3.981
  138    HA   LEU  18           HA       LEU  18  -2.856   8.596   3.268
  139   1HB   LEU  18          2HB       LEU  18  -5.131   7.404   1.777
  140   2HB   LEU  18          1HB       LEU  18  -3.885   8.256   0.883
  141    HG   LEU  18           HG       LEU  18  -3.414   5.898   0.892
  142   1HD1  LEU  18          1HD1      LEU  18  -1.499   7.097   2.859
  143   2HD1  LEU  18          2HD1      LEU  18  -1.583   7.665   1.197
  144   3HD1  LEU  18          3HD1      LEU  18  -1.171   5.984   1.535
  145   1HD2  LEU  18          1HD2      LEU  18  -3.576   6.154   3.884
  146   2HD2  LEU  18          2HD2      LEU  18  -2.879   4.768   3.048
  147   3HD2  LEU  18          3HD2      LEU  18  -4.580   5.161   2.830
  148    H    GLN  19           H        GLN  19  -6.143   9.630   2.898
  149    HA   GLN  19           HA       GLN  19  -5.592  11.950   1.340
  150   1HB   GLN  19          2HB       GLN  19  -7.838  10.565   1.842
  151   2HB   GLN  19          1HB       GLN  19  -8.054  11.881   2.987
  152   1HG   GLN  19          2HG       GLN  19  -7.540  12.230   0.044
  153   2HG   GLN  19          1HG       GLN  19  -9.128  12.280   0.806
  154   1HE2  GLN  19          1HE2      GLN  19  -9.710  14.050   2.030
  155   2HE2  GLN  19          2HE2      GLN  19  -8.810  15.525   2.025
  156    H    ALA  20           H        ALA  20  -5.623  11.288   4.756
  157    HA   ALA  20           HA       ALA  20  -6.107  13.705   5.935
  158   1HB   ALA  20          1HB       ALA  20  -5.608  11.756   7.250
  159   2HB   ALA  20          2HB       ALA  20  -4.474  13.035   7.682
  160   3HB   ALA  20          3HB       ALA  20  -3.956  11.713   6.637
  161    H    GLU  21           H        GLU  21  -4.408  15.238   6.932
  162    HA   GLU  21           HA       GLU  21  -2.771  16.172   4.739
  163   1HB   GLU  21          2HB       GLU  21  -3.408  17.467   7.386
  164   2HB   GLU  21          1HB       GLU  21  -2.444  18.218   6.122
  165   1HG   GLU  21          2HG       GLU  21  -4.665  17.592   4.729
  166   2HG   GLU  21          1HG       GLU  21  -5.354  17.862   6.329
  167    H    GLY  22           H        GLY  22  -2.203  13.918   6.622
  168   1HA   GLY  22          2HA       GLY  22   0.441  14.711   7.609
  169   2HA   GLY  22          1HA       GLY  22  -0.405  13.224   8.024
  170    H    ASN  23           H        ASN  23  -0.988  13.374   4.905
  171    HA   ASN  23           HA       ASN  23   1.365  11.771   4.192
  172   1HB   ASN  23          2HB       ASN  23  -1.410  11.862   2.990
  173   2HB   ASN  23          1HB       ASN  23  -0.104  10.823   2.432
  174   1HD2  ASN  23          1HD2      ASN  23  -1.832  11.658   5.416
  175   2HD2  ASN  23          2HD2      ASN  23  -1.893  10.047   6.034
  176    H    ALA  24           H        ALA  24   2.845  12.795   3.028
  177    HA   ALA  24           HA       ALA  24   2.014  14.996   1.284
  178   1HB   ALA  24          1HB       ALA  24   4.272  15.749   1.324
  179   2HB   ALA  24          2HB       ALA  24   4.824  14.241   2.054
  180   3HB   ALA  24          3HB       ALA  24   3.820  15.355   2.982
  181    H    THR  25           H        THR  25   1.123  13.083  -0.010
  182    HA   THR  25           HA       THR  25   1.146  11.778  -1.848
  183    HB   THR  25           HB       THR  25   2.700  12.482  -3.680
  184    HG1  THR  25           HG1      THR  25   3.533  14.537  -1.940
  185   1HG2  THR  25          1HG2      THR  25   1.588  14.427  -4.173
  186   2HG2  THR  25          2HG2      THR  25   1.560  14.964  -2.494
  187   3HG2  THR  25          3HG2      THR  25   0.490  13.666  -3.022
  188    H    GLY  26           H        GLY  26   1.839   9.805  -2.451
  189   1HA   GLY  26          2HA       GLY  26   3.339   8.015  -2.714
  190   2HA   GLY  26          1HA       GLY  26   4.579   8.963  -1.902
  191    H    ALA  27           H        ALA  27   2.466   9.586   0.230
  192    HA   ALA  27           HA       ALA  27   3.248   7.892   2.213
  193   1HB   ALA  27          1HB       ALA  27   1.725   9.984   2.290
  194   2HB   ALA  27          2HB       ALA  27   1.494   8.719   3.495
  195   3HB   ALA  27          3HB       ALA  27   0.406   8.827   2.112
  196    H    PHE  28           H        PHE  28   3.099   5.748   2.432
  197    HA   PHE  28           HA       PHE  28   0.793   4.375   1.217
  198   1HB   PHE  28          2HB       PHE  28   2.415   2.509   0.750
  199   2HB   PHE  28          1HB       PHE  28   2.661   3.975  -0.186
  200    HD1  PHE  28           HD1      PHE  28   4.373   5.700   1.038
  201    HD2  PHE  28           HD2      PHE  28   4.281   1.485   1.529
  202    HE1  PHE  28           HE1      PHE  28   6.714   5.733   1.769
  203    HE2  PHE  28           HE2      PHE  28   6.624   1.512   2.269
  204    HZ   PHE  28           HZ       PHE  28   7.848   3.642   2.384
  205    H    LEU  29           H        LEU  29   0.394   2.274   2.097
  206    HA   LEU  29           HA       LEU  29   1.382   1.596   4.718
  207   1HB   LEU  29          2HB       LEU  29  -0.901   1.537   5.707
  208   2HB   LEU  29          1HB       LEU  29  -0.261   3.140   5.437
  209    HG   LEU  29           HG       LEU  29  -2.040   3.723   4.206
  210   1HD1  LEU  29          1HD1      LEU  29  -2.431   1.220   2.679
  211   2HD1  LEU  29          2HD1      LEU  29  -0.976   2.145   2.352
  212   3HD1  LEU  29          3HD1      LEU  29  -2.542   2.897   2.167
  213   1HD2  LEU  29          1HD2      LEU  29  -2.867   1.120   5.358
  214   2HD2  LEU  29          2HD2      LEU  29  -3.946   1.925   4.220
  215   3HD2  LEU  29          3HD2      LEU  29  -3.453   2.747   5.700
  216    H    ILE  30           H        ILE  30   1.024  -0.583   5.202
  217    HA   ILE  30           HA       ILE  30  -0.356  -2.040   3.041
  218    HB   ILE  30           HB       ILE  30   1.792  -3.217   4.775
  219   1HG1  ILE  30          2HG1      ILE  30   2.379  -1.143   3.198
  220   2HG1  ILE  30          1HG1      ILE  30   3.458  -2.519   3.358
  221   1HG2  ILE  30          1HG2      ILE  30   1.919  -4.807   2.870
  222   2HG2  ILE  30          2HG2      ILE  30   0.504  -4.013   2.179
  223   3HG2  ILE  30          3HG2      ILE  30   0.384  -4.829   3.735
  224   1HD1  ILE  30          1HD1      ILE  30   3.113  -3.205   1.240
  225   2HD1  ILE  30          2HD1      ILE  30   2.735  -1.500   1.015
  226   3HD1  ILE  30          3HD1      ILE  30   1.433  -2.671   1.217
  227    H    ARG  31           H        ARG  31  -2.163  -2.986   3.592
  228    HA   ARG  31           HA       ARG  31  -2.547  -3.792   6.397
  229   1HB   ARG  31          2HB       ARG  31  -4.868  -3.242   6.204
  230   2HB   ARG  31          1HB       ARG  31  -3.963  -1.868   5.589
  231   1HG   ARG  31          2HG       ARG  31  -4.426  -2.519   3.327
  232   2HG   ARG  31          1HG       ARG  31  -5.210  -3.995   3.887
  233   1HD   ARG  31          2HD       ARG  31  -7.133  -2.937   4.331
  234   2HD   ARG  31          1HD       ARG  31  -6.308  -1.582   5.100
  235    HE   ARG  31           HE       ARG  31  -5.832  -1.156   2.482
  236   1HH1  ARG  31          2HH1      ARG  31  -8.753  -1.766   4.289
  237   2HH1  ARG  31          1HH1      ARG  31  -9.768  -0.916   3.175
  238   1HH2  ARG  31          1HH2      ARG  31  -7.167  -0.050   1.012
  239   2HH2  ARG  31          2HH2      ARG  31  -8.868   0.061   1.315
  240    H    VAL  32           H        VAL  32  -4.861  -5.226   6.139
  241    HA   VAL  32           HA       VAL  32  -3.900  -7.546   4.629
  242    HB   VAL  32           HB       VAL  32  -5.515  -8.865   5.927
  243   1HG1  VAL  32          1HG1      VAL  32  -3.585  -9.000   7.089
  244   2HG1  VAL  32          2HG1      VAL  32  -4.493  -8.071   8.283
  245   3HG1  VAL  32          3HG1      VAL  32  -3.390  -7.249   7.178
  246   1HG2  VAL  32          1HG2      VAL  32  -6.652  -7.753   7.869
  247   2HG2  VAL  32          2HG2      VAL  32  -7.284  -7.310   6.284
  248   3HG2  VAL  32          3HG2      VAL  32  -6.218  -6.203   7.148
  249    H    SER  33           H        SER  33  -5.651  -8.944   3.666
  250    HA   SER  33           HA       SER  33  -6.958  -7.499   1.641
  251   1HB   SER  33          2HB       SER  33  -8.149  -9.795   1.308
  252   2HB   SER  33          1HB       SER  33  -6.407  -9.692   1.055
  253    HG   SER  33           HG       SER  33  -7.529 -10.418   3.547
  254    H    GLU  34           H        GLU  34  -8.190  -5.939   2.922
  255    HA   GLU  34           HA       GLU  34 -10.270  -6.650   4.657
  256   1HB   GLU  34          2HB       GLU  34  -9.423  -4.238   3.229
  257   2HB   GLU  34          1HB       GLU  34 -11.160  -4.322   3.486
  258   1HG   GLU  34          2HG       GLU  34  -9.283  -4.825   5.752
  259   2HG   GLU  34          1HG       GLU  34  -9.655  -3.178   5.249
  260    H    LYS  35           H        LYS  35  -9.992  -6.818   1.279
  261    HA   LYS  35           HA       LYS  35 -12.813  -7.603   1.055
  262   1HB   LYS  35          2HB       LYS  35 -11.385  -6.572  -1.359
  263   2HB   LYS  35          1HB       LYS  35 -13.094  -6.540  -0.973
  264   1HG   LYS  35          2HG       LYS  35 -12.953  -4.570   0.112
  265   2HG   LYS  35          1HG       LYS  35 -11.350  -4.912   0.762
  266   1HD   LYS  35          2HD       LYS  35 -10.703  -4.694  -1.813
  267   2HD   LYS  35          1HD       LYS  35 -12.137  -3.665  -1.809
  268   1HE   LYS  35          2HE       LYS  35 -11.130  -2.050  -0.607
  269   2HE   LYS  35          1HE       LYS  35 -10.278  -3.205   0.417
  270   1HZ   LYS  35          1HZ       LYS  35  -8.925  -3.594  -1.770
  271   2HZ   LYS  35          2HZ       LYS  35  -8.550  -2.306  -0.740
  272   3HZ   LYS  35          3HZ       LYS  35  -9.459  -2.031  -2.139
  273    HA   PRO  36           HA       PRO  36 -10.191 -10.282  -2.209
  274   1HB   PRO  36          2HB       PRO  36  -7.545 -10.322  -1.153
  275   2HB   PRO  36          1HB       PRO  36  -8.069  -9.674  -2.706
  276   1HG   PRO  36          2HG       PRO  36  -7.529  -8.269  -0.161
  277   2HG   PRO  36          1HG       PRO  36  -7.406  -7.679  -1.824
  278   1HD   PRO  36          2HD       PRO  36  -9.391  -6.910  -0.197
  279   2HD   PRO  36          1HD       PRO  36  -9.649  -7.145  -1.935
  280    H    SER  37           H        SER  37  -9.222 -12.466  -1.759
  281    HA   SER  37           HA       SER  37 -10.382 -13.564   0.588
  282   1HB   SER  37          2HB       SER  37  -8.935 -14.594  -1.773
  283   2HB   SER  37          1HB       SER  37  -8.801 -15.580  -0.317
  284    HG   SER  37           HG       SER  37 -11.096 -14.876  -1.785
  285    H    ALA  38           H        ALA  38  -7.093 -14.501  -0.242
  286    HA   ALA  38           HA       ALA  38  -6.265 -13.739   2.482
  287   1HB   ALA  38          1HB       ALA  38  -5.109 -15.689   2.724
  288   2HB   ALA  38          2HB       ALA  38  -4.774 -15.834   0.999
  289   3HB   ALA  38          3HB       ALA  38  -6.370 -16.250   1.626
  290    H    ASP  39           H        ASP  39  -5.979 -11.668   1.056
  291    HA   ASP  39           HA       ASP  39  -3.179 -11.642   0.148
  292   1HB   ASP  39          2HB       ASP  39  -5.371  -9.946  -1.053
  293   2HB   ASP  39          1HB       ASP  39  -3.729 -10.160  -1.647
  294    H    TYR  40           H        TYR  40  -2.743  -9.030  -0.242
  295    HA   TYR  40           HA       TYR  40  -3.534  -7.653   2.243
  296   1HB   TYR  40          2HB       TYR  40  -0.788  -8.291   1.260
  297   2HB   TYR  40          1HB       TYR  40  -1.035  -6.630   1.793
  298    HD1  TYR  40           HD1      TYR  40  -2.486  -9.790   3.142
  299    HD2  TYR  40           HD2      TYR  40   0.067  -6.469   3.835
  300    HE1  TYR  40           HE1      TYR  40  -2.208 -10.504   5.477
  301    HE2  TYR  40           HE2      TYR  40   0.359  -7.169   6.172
  302    HH   TYR  40           HH       TYR  40  -1.098  -8.597   7.859
  303    H    VAL  41           H        VAL  41  -3.789  -5.428   2.012
  304    HA   VAL  41           HA       VAL  41  -3.715  -4.570  -0.806
  305    HB   VAL  41           HB       VAL  41  -5.609  -2.944  -0.018
  306   1HG1  VAL  41          1HG1      VAL  41  -5.612  -5.717  -1.014
  307   2HG1  VAL  41          2HG1      VAL  41  -6.324  -4.259  -1.705
  308   3HG1  VAL  41          3HG1      VAL  41  -7.164  -5.127  -0.420
  309   1HG2  VAL  41          1HG2      VAL  41  -5.283  -4.566   2.288
  310   2HG2  VAL  41          2HG2      VAL  41  -6.829  -4.988   1.565
  311   3HG2  VAL  41          3HG2      VAL  41  -6.486  -3.317   1.998
  312    H    LEU  42           H        LEU  42  -2.752  -2.778  -1.311
  313    HA   LEU  42           HA       LEU  42  -1.585  -1.205   0.868
  314   1HB   LEU  42          2HB       LEU  42   0.021  -2.299  -0.589
  315   2HB   LEU  42          1HB       LEU  42  -0.730  -1.572  -1.997
  316    HG   LEU  42           HG       LEU  42  -0.065   0.659  -1.194
  317   1HD1  LEU  42          1HD1      LEU  42   1.883   0.165   0.684
  318   2HD1  LEU  42          2HD1      LEU  42   0.559  -0.885   1.189
  319   3HD1  LEU  42          3HD1      LEU  42   0.289   0.844   0.989
  320   1HD2  LEU  42          1HD2      LEU  42   2.109   0.484  -1.949
  321   2HD2  LEU  42          2HD2      LEU  42   1.385  -0.992  -2.589
  322   3HD2  LEU  42          3HD2      LEU  42   2.382  -1.056  -1.134
  323    H    SER  43           H        SER  43  -1.639   1.032   0.777
  324    HA   SER  43           HA       SER  43  -3.172   2.229  -1.380
  325   1HB   SER  43          2HB       SER  43  -4.993   2.597  -0.240
  326   2HB   SER  43          1HB       SER  43  -4.309   1.747   1.142
  327    HG   SER  43           HG       SER  43  -4.980   4.201   1.131
  328    H    VAL  44           H        VAL  44  -2.709   4.208  -1.938
  329    HA   VAL  44           HA       VAL  44  -0.734   5.648  -0.314
  330    HB   VAL  44           HB       VAL  44   0.306   4.272  -2.216
  331   1HG1  VAL  44          1HG1      VAL  44   0.062   4.912  -4.400
  332   2HG1  VAL  44          2HG1      VAL  44  -0.379   6.567  -3.981
  333   3HG1  VAL  44          3HG1      VAL  44  -1.554   5.266  -3.793
  334   1HG2  VAL  44          1HG2      VAL  44   1.839   5.678  -1.325
  335   2HG2  VAL  44          2HG2      VAL  44   0.795   7.091  -1.471
  336   3HG2  VAL  44          3HG2      VAL  44   1.656   6.482  -2.884
  337    H    ARG  45           H        ARG  45  -0.823   7.851  -0.394
  338    HA   ARG  45           HA       ARG  45  -3.248   9.029  -1.319
  339   1HB   ARG  45          2HB       ARG  45  -1.919   9.858   0.657
  340   2HB   ARG  45          1HB       ARG  45  -0.710  10.446  -0.475
  341   1HG   ARG  45          2HG       ARG  45  -2.654  11.751  -1.539
  342   2HG   ARG  45          1HG       ARG  45  -3.500  11.425  -0.026
  343   1HD   ARG  45          2HD       ARG  45  -1.283  12.332   1.042
  344   2HD   ARG  45          1HD       ARG  45  -1.081  13.093  -0.536
  345    HE   ARG  45           HE       ARG  45  -3.644  13.514   0.755
  346   1HH1  ARG  45          2HH1      ARG  45  -0.433  14.754   0.156
  347   2HH1  ARG  45          1HH1      ARG  45  -0.864  16.390   0.521
  348   1HH2  ARG  45          1HH2      ARG  45  -4.207  15.665   1.235
  349   2HH2  ARG  45          2HH2      ARG  45  -3.004  16.906   1.135
  350    H    ASP  46           H        ASP  46  -0.352   8.145  -2.740
  351    HA   ASP  46           HA       ASP  46   0.653   8.603  -4.743
  352   1HB   ASP  46          2HB       ASP  46  -1.262   7.628  -5.725
  353   2HB   ASP  46          1HB       ASP  46  -2.249   9.043  -5.386
  354    H    THR  47           H        THR  47  -1.712  11.001  -5.518
  355    HA   THR  47           HA       THR  47   0.240  13.120  -4.953
  356    HB   THR  47           HB       THR  47   0.198  12.532  -7.377
  357    HG1  THR  47           HG1      THR  47   0.806  14.597  -6.908
  358   1HG2  THR  47          1HG2      THR  47  -2.484  12.320  -7.178
  359   2HG2  THR  47          2HG2      THR  47  -1.611  12.584  -8.688
  360   3HG2  THR  47          3HG2      THR  47  -2.325  13.951  -7.831
  361    H    GLN  48           H        GLN  48  -2.821  11.978  -4.387
  362    HA   GLN  48           HA       GLN  48  -3.631  14.237  -2.939
  363   1HB   GLN  48          2HB       GLN  48  -4.543  14.074  -5.740
  364   2HB   GLN  48          1HB       GLN  48  -5.784  14.438  -4.548
  365   1HG   GLN  48          2HG       GLN  48  -3.863  16.157  -3.774
  366   2HG   GLN  48          1HG       GLN  48  -3.534  16.073  -5.504
  367   1HE2  GLN  48          1HE2      GLN  48  -6.446  16.137  -3.469
  368   2HE2  GLN  48          2HE2      GLN  48  -7.228  17.411  -4.335
  369    H    ALA  49           H        ALA  49  -5.936  12.461  -4.823
  370    HA   ALA  49           HA       ALA  49  -7.376  11.533  -2.604
  371   1HB   ALA  49          1HB       ALA  49  -7.431  11.050  -5.516
  372   2HB   ALA  49          2HB       ALA  49  -8.738  11.470  -4.409
  373   3HB   ALA  49          3HB       ALA  49  -8.166   9.805  -4.507
  374    H    VAL  50           H        VAL  50  -7.838   9.083  -2.304
  375    HA   VAL  50           HA       VAL  50  -5.249   7.832  -1.828
  376    HB   VAL  50           HB       VAL  50  -7.975   6.914  -0.895
  377   1HG1  VAL  50          1HG1      VAL  50  -5.174   6.041  -0.183
  378   2HG1  VAL  50          2HG1      VAL  50  -6.433   5.075  -0.951
  379   3HG1  VAL  50          3HG1      VAL  50  -6.615   5.586   0.727
  380   1HG2  VAL  50          1HG2      VAL  50  -7.651   8.937   0.202
  381   2HG2  VAL  50          2HG2      VAL  50  -5.906   8.704   0.323
  382   3HG2  VAL  50          3HG2      VAL  50  -6.996   7.756   1.334
  383    H    ARG  51           H        ARG  51  -4.460   6.275  -3.011
  384    HA   ARG  51           HA       ARG  51  -6.239   4.869  -4.886
  385   1HB   ARG  51          2HB       ARG  51  -3.243   5.244  -5.056
  386   2HB   ARG  51          1HB       ARG  51  -4.268   4.493  -6.272
  387   1HG   ARG  51          2HG       ARG  51  -5.490   6.803  -6.237
  388   2HG   ARG  51          1HG       ARG  51  -3.963   7.367  -5.555
  389   1HD   ARG  51          2HD       ARG  51  -2.855   7.120  -7.500
  390   2HD   ARG  51          1HD       ARG  51  -3.712   5.636  -7.917
  391    HE   ARG  51           HE       ARG  51  -5.065   6.900  -9.236
  392   1HH1  ARG  51          2HH1      ARG  51  -3.780   8.963  -6.730
  393   2HH1  ARG  51          1HH1      ARG  51  -4.553  10.389  -7.334
  394   1HH2  ARG  51          1HH2      ARG  51  -6.083   8.777 -10.032
  395   2HH2  ARG  51          2HH2      ARG  51  -5.861  10.284  -9.207
  396    H    HIS  52           H        HIS  52  -6.861   3.076  -3.804
  397    HA   HIS  52           HA       HIS  52  -4.988   1.630  -2.139
  398   1HB   HIS  52          2HB       HIS  52  -7.864   1.004  -2.882
  399   2HB   HIS  52          1HB       HIS  52  -6.917   0.167  -1.651
  400    HD1  HIS  52           HD1      HIS  52  -6.320   1.509   0.485
  401    HD2  HIS  52           HD2      HIS  52  -8.905   3.463  -2.102
  402    HE1  HIS  52           HE1      HIS  52  -7.071   3.545   1.714
  403    HE2  HIS  52           HE2      HIS  52  -8.547   4.780   0.097
  404    H    TYR  53           H        TYR  53  -4.754  -0.769  -2.410
  405    HA   TYR  53           HA       TYR  53  -4.999  -1.717  -5.153
  406   1HB   TYR  53          2HB       TYR  53  -2.308  -1.854  -3.832
  407   2HB   TYR  53          1HB       TYR  53  -2.710  -2.057  -5.533
  408    HD1  TYR  53           HD1      TYR  53  -1.592   0.222  -3.013
  409    HD2  TYR  53           HD2      TYR  53  -3.516   0.010  -6.800
  410    HE1  TYR  53           HE1      TYR  53  -1.006   2.571  -3.439
  411    HE2  TYR  53           HE2      TYR  53  -2.936   2.356  -7.238
  412    HH   TYR  53           HH       TYR  53  -2.119   4.251  -6.346
  413    H    LYS  54           H        LYS  54  -4.722  -3.943  -5.399
  414    HA   LYS  54           HA       LYS  54  -5.032  -5.489  -2.934
  415   1HB   LYS  54          2HB       LYS  54  -6.746  -5.605  -4.854
  416   2HB   LYS  54          1HB       LYS  54  -5.515  -6.502  -5.732
  417   1HG   LYS  54          2HG       LYS  54  -5.768  -7.655  -3.152
  418   2HG   LYS  54          1HG       LYS  54  -7.385  -7.459  -3.834
  419   1HD   LYS  54          2HD       LYS  54  -5.075  -8.751  -5.281
  420   2HD   LYS  54          1HD       LYS  54  -6.303  -9.641  -4.380
  421   1HE   LYS  54          2HE       LYS  54  -7.420  -9.714  -6.315
  422   2HE   LYS  54          1HE       LYS  54  -7.814  -8.027  -5.993
  423   1HZ   LYS  54          1HZ       LYS  54  -6.836  -7.621  -7.936
  424   2HZ   LYS  54          2HZ       LYS  54  -6.115  -9.150  -8.011
  425   3HZ   LYS  54          3HZ       LYS  54  -5.360  -7.900  -7.155
  426    H    ILE  55           H        ILE  55  -3.171  -6.234  -2.215
  427    HA   ILE  55           HA       ILE  55  -1.040  -6.985  -4.068
  428    HB   ILE  55           HB       ILE  55  -0.700  -7.303  -1.145
  429   1HG1  ILE  55          2HG1      ILE  55  -0.305  -4.524  -2.157
  430   2HG1  ILE  55          1HG1      ILE  55  -1.931  -5.005  -1.693
  431   1HG2  ILE  55          1HG2      ILE  55   1.283  -5.750  -2.537
  432   2HG2  ILE  55          2HG2      ILE  55   0.953  -7.279  -3.352
  433   3HG2  ILE  55          3HG2      ILE  55   1.447  -7.268  -1.659
  434   1HD1  ILE  55          1HD1      ILE  55   0.095  -4.081  -0.037
  435   2HD1  ILE  55          2HD1      ILE  55  -0.032  -5.804   0.301
  436   3HD1  ILE  55          3HD1      ILE  55  -1.450  -4.771   0.450
  437    H    TRP  56           H        TRP  56  -1.674  -8.931  -4.903
  438    HA   TRP  56           HA       TRP  56  -2.815 -10.970  -3.218
  439   1HB   TRP  56          2HB       TRP  56  -3.276 -10.379  -5.746
  440   2HB   TRP  56          1HB       TRP  56  -1.949 -11.499  -6.025
  441    HD1  TRP  56           HD1      TRP  56  -2.598 -13.768  -3.972
  442    HE1  TRP  56           HE1      TRP  56  -4.688 -15.236  -4.258
  443    HE3  TRP  56           HE3      TRP  56  -5.373 -10.662  -6.936
  444    HZ2  TRP  56           HZ2      TRP  56  -7.182 -15.102  -5.567
  445    HZ3  TRP  56           HZ3      TRP  56  -7.601 -11.410  -7.663
  446    HH2  TRP  56           HH2      TRP  56  -8.485 -13.584  -6.993
  447    H    ARG  57           H        ARG  57  -1.905 -12.740  -2.434
  448    HA   ARG  57           HA       ARG  57   0.981 -12.943  -2.468
  449   1HB   ARG  57          2HB       ARG  57  -0.119 -13.222  -0.347
  450   2HB   ARG  57          1HB       ARG  57  -1.184 -14.456  -1.002
  451   1HG   ARG  57          2HG       ARG  57   0.837 -15.886  -1.364
  452   2HG   ARG  57          1HG       ARG  57   1.769 -14.675  -0.479
  453   1HD   ARG  57          2HD       ARG  57   1.236 -16.107   1.229
  454   2HD   ARG  57          1HD       ARG  57  -0.129 -14.995   1.311
  455    HE   ARG  57           HE       ARG  57  -0.577 -17.284  -0.378
  456   1HH1  ARG  57          2HH1      ARG  57  -0.771 -16.029   2.874
  457   2HH1  ARG  57          1HH1      ARG  57  -1.993 -17.153   3.368
  458   1HH2  ARG  57          1HH2      ARG  57  -2.184 -18.763   0.271
  459   2HH2  ARG  57          2HH2      ARG  57  -2.795 -18.704   1.890
  460    H    ARG  58           H        ARG  58   2.139 -14.809  -3.101
  461    HA   ARG  58           HA       ARG  58   1.018 -16.130  -5.396
  462   1HB   ARG  58          2HB       ARG  58   3.691 -15.799  -4.210
  463   2HB   ARG  58          1HB       ARG  58   3.434 -17.300  -5.087
  464   1HG   ARG  58          2HG       ARG  58   2.560 -15.827  -6.987
  465   2HG   ARG  58          1HG       ARG  58   3.307 -14.489  -6.112
  466   1HD   ARG  58          2HD       ARG  58   4.801 -15.394  -7.828
  467   2HD   ARG  58          1HD       ARG  58   5.464 -15.606  -6.210
  468    HE   ARG  58           HE       ARG  58   5.302 -17.882  -6.468
  469   1HH1  ARG  58          2HH1      ARG  58   3.494 -16.308  -9.006
  470   2HH1  ARG  58          1HH1      ARG  58   3.247 -17.767  -9.904
  471   1HH2  ARG  58          1HH2      ARG  58   4.978 -19.801  -7.649
  472   2HH2  ARG  58          2HH2      ARG  58   4.089 -19.751  -9.135
  473    H    ALA  59           H        ALA  59   3.114 -17.872  -3.267
  474    HA   ALA  59           HA       ALA  59   0.935 -19.748  -2.648
  475   1HB   ALA  59          1HB       ALA  59   2.361 -21.631  -3.076
  476   2HB   ALA  59          2HB       ALA  59   3.733 -20.572  -3.404
  477   3HB   ALA  59          3HB       ALA  59   2.352 -20.593  -4.501
  478    H    GLY  60           H        GLY  60   2.264 -17.595  -1.076
  479   1HA   GLY  60          2HA       GLY  60   2.307 -17.753   1.345
  480   2HA   GLY  60          1HA       GLY  60   3.121 -19.300   1.173
  481    H    GLY  61           H        GLY  61   3.932 -16.406  -0.666
  482   1HA   GLY  61          2HA       GLY  61   5.856 -15.226   0.862
  483   2HA   GLY  61          1HA       GLY  61   6.674 -16.620   0.180
  484    H    ARG  62           H        ARG  62   4.361 -14.224  -1.116
  485    HA   ARG  62           HA       ARG  62   6.150 -12.809  -2.688
  486   1HB   ARG  62          2HB       ARG  62   5.809 -15.388  -3.718
  487   2HB   ARG  62          1HB       ARG  62   4.828 -14.351  -4.744
  488   1HG   ARG  62          2HG       ARG  62   6.617 -13.586  -5.791
  489   2HG   ARG  62          1HG       ARG  62   7.377 -13.128  -4.266
  490   1HD   ARG  62          2HD       ARG  62   8.656 -14.981  -4.201
  491   2HD   ARG  62          1HD       ARG  62   7.376 -16.010  -4.842
  492    HE   ARG  62           HE       ARG  62   8.096 -14.575  -6.998
  493   1HH1  ARG  62          2HH1      ARG  62   9.954 -16.390  -4.666
  494   2HH1  ARG  62          1HH1      ARG  62  11.211 -16.784  -5.789
  495   1HH2  ARG  62          1HH2      ARG  62   9.748 -15.094  -8.476
  496   2HH2  ARG  62          2HH2      ARG  62  11.094 -16.050  -7.952
  497    H    LEU  63           H        LEU  63   5.102 -10.982  -2.907
  498    HA   LEU  63           HA       LEU  63   2.193 -11.025  -3.276
  499   1HB   LEU  63          2HB       LEU  63   4.085  -8.973  -2.170
  500   2HB   LEU  63          1HB       LEU  63   2.484  -8.519  -2.722
  501    HG   LEU  63           HG       LEU  63   2.381  -8.840  -0.358
  502   1HD1  LEU  63          1HD1      LEU  63   0.496 -10.091  -0.298
  503   2HD1  LEU  63          2HD1      LEU  63   1.216 -11.419  -1.208
  504   3HD1  LEU  63          3HD1      LEU  63   0.667  -9.970  -2.049
  505   1HD2  LEU  63          1HD2      LEU  63   4.413 -10.627  -0.702
  506   2HD2  LEU  63          2HD2      LEU  63   3.052 -11.684  -0.326
  507   3HD2  LEU  63          3HD2      LEU  63   3.505 -10.398   0.793
  508    H    HIS  64           H        HIS  64   1.213  -9.672  -4.817
  509    HA   HIS  64           HA       HIS  64   2.830  -8.284  -6.744
  510   1HB   HIS  64          2HB       HIS  64   2.060  -9.607  -8.675
  511   2HB   HIS  64          1HB       HIS  64   3.037 -10.571  -7.575
  512    HD1  HIS  64           HD1      HIS  64  -0.291 -10.380  -9.142
  513    HD2  HIS  64           HD2      HIS  64   1.530 -12.491  -6.062
  514    HE1  HIS  64           HE1      HIS  64  -1.827 -12.308  -8.650
  515    HE2  HIS  64           HE2      HIS  64  -0.664 -13.619  -6.839
  516    H    LEU  65           H        LEU  65   1.668  -6.448  -6.476
  517    HA   LEU  65           HA       LEU  65  -1.126  -6.381  -6.153
  518   1HB   LEU  65          2HB       LEU  65   0.777  -4.217  -7.031
  519   2HB   LEU  65          1HB       LEU  65  -0.903  -3.946  -6.603
  520    HG   LEU  65           HG       LEU  65   0.008  -5.247  -4.387
  521   1HD1  LEU  65          1HD1      LEU  65   2.329  -4.846  -5.641
  522   2HD1  LEU  65          2HD1      LEU  65   2.159  -4.802  -3.890
  523   3HD1  LEU  65          3HD1      LEU  65   2.188  -3.303  -4.802
  524   1HD2  LEU  65          1HD2      LEU  65  -0.612  -2.501  -5.156
  525   2HD2  LEU  65          2HD2      LEU  65   0.436  -2.630  -3.744
  526   3HD2  LEU  65          3HD2      LEU  65  -1.131  -3.437  -3.755
  527    H    ASN  66           H        ASN  66   0.932  -6.461  -8.892
  528    HA   ASN  66           HA       ASN  66  -1.404  -6.458 -10.665
  529   1HB   ASN  66          2HB       ASN  66   0.924  -4.646 -10.743
  530   2HB   ASN  66          1HB       ASN  66   0.488  -5.366 -12.290
  531   1HD2  ASN  66          1HD2      ASN  66  -0.965  -4.325 -13.433
  532   2HD2  ASN  66          2HD2      ASN  66  -2.126  -3.198 -12.827
  533    H    GLU  67           H        GLU  67  -0.732  -7.293 -12.914
  534    HA   GLU  67           HA       GLU  67   0.494  -9.855 -12.524
  535   1HB   GLU  67          2HB       GLU  67  -0.984  -8.487 -14.693
  536   2HB   GLU  67          1HB       GLU  67   0.142  -9.739 -15.196
  537   1HG   GLU  67          2HG       GLU  67  -0.987 -11.285 -13.594
  538   2HG   GLU  67          1HG       GLU  67  -2.195 -10.029 -13.328
  539    H    ALA  68           H        ALA  68   1.738  -6.810 -13.218
  540    HA   ALA  68           HA       ALA  68   4.067  -7.961 -14.603
  541   1HB   ALA  68          1HB       ALA  68   4.559  -5.596 -15.265
  542   2HB   ALA  68          2HB       ALA  68   2.997  -5.147 -14.582
  543   3HB   ALA  68          3HB       ALA  68   3.074  -6.264 -15.944
  544    H    VAL  69           H        VAL  69   3.359  -7.721 -11.612
  545    HA   VAL  69           HA       VAL  69   6.023  -6.864 -10.807
  546    HB   VAL  69           HB       VAL  69   5.301  -5.366  -9.086
  547   1HG1  VAL  69          1HG1      VAL  69   3.850  -4.724 -11.649
  548   2HG1  VAL  69          2HG1      VAL  69   5.544  -4.382 -11.297
  549   3HG1  VAL  69          3HG1      VAL  69   4.273  -3.565 -10.387
  550   1HG2  VAL  69          1HG2      VAL  69   2.961  -4.805  -8.686
  551   2HG2  VAL  69          2HG2      VAL  69   3.235  -6.531  -8.445
  552   3HG2  VAL  69          3HG2      VAL  69   2.462  -5.958  -9.924
  553    H    SER  70           H        SER  70   6.827  -8.088  -9.153
  554    HA   SER  70           HA       SER  70   5.045  -9.485  -7.354
  555   1HB   SER  70          2HB       SER  70   6.473 -11.664  -8.052
  556   2HB   SER  70          1HB       SER  70   4.905 -11.270  -8.756
  557    HG   SER  70           HG       SER  70   7.330 -10.336  -9.869
  558    H    PHE  71           H        PHE  71   5.965  -9.893  -5.415
  559    HA   PHE  71           HA       PHE  71   8.849 -10.082  -5.142
  560   1HB   PHE  71          2HB       PHE  71   7.504  -7.591  -4.648
  561   2HB   PHE  71          1HB       PHE  71   8.176  -8.212  -3.144
  562    HD1  PHE  71           HD1      PHE  71  10.455  -8.041  -2.691
  563    HD2  PHE  71           HD2      PHE  71   9.049  -7.383  -6.652
  564    HE1  PHE  71           HE1      PHE  71  12.689  -7.249  -3.347
  565    HE2  PHE  71           HE2      PHE  71  11.281  -6.591  -7.317
  566    HZ   PHE  71           HZ       PHE  71  13.105  -6.523  -5.663
  567    H    LEU  72           H        LEU  72   9.378 -11.457  -3.700
  568    HA   LEU  72           HA       LEU  72   8.061 -13.308  -2.417
  569   1HB   LEU  72          2HB       LEU  72   9.776 -13.069  -0.514
  570   2HB   LEU  72          1HB       LEU  72  10.359 -13.337  -2.148
  571    HG   LEU  72           HG       LEU  72  10.487 -10.721  -2.239
  572   1HD1  LEU  72          1HD1      LEU  72  10.066  -9.630  -0.359
  573   2HD1  LEU  72          2HD1      LEU  72  11.315 -10.548   0.480
  574   3HD1  LEU  72          3HD1      LEU  72   9.659 -11.146   0.439
  575   1HD2  LEU  72          1HD2      LEU  72  12.327 -12.620  -2.076
  576   2HD2  LEU  72          2HD2      LEU  72  12.589 -11.888  -0.494
  577   3HD2  LEU  72          3HD2      LEU  72  12.737 -10.909  -1.953
  578    H    SER  73           H        SER  73   8.236 -10.009  -1.114
  579    HA   SER  73           HA       SER  73   5.935 -10.581   0.561
  580   1HB   SER  73          2HB       SER  73   8.113 -11.055   1.857
  581   2HB   SER  73          1HB       SER  73   8.333  -9.305   1.851
  582    HG   SER  73           HG       SER  73   7.229  -9.775   3.695
  583    H    LEU  74           H        LEU  74   5.418  -8.465   1.878
  584    HA   LEU  74           HA       LEU  74   4.978  -6.467  -0.099
  585   1HB   LEU  74          2HB       LEU  74   4.148  -6.882   2.687
  586   2HB   LEU  74          1HB       LEU  74   4.132  -5.231   2.076
  587    HG   LEU  74           HG       LEU  74   2.936  -7.356   0.393
  588   1HD1  LEU  74          1HD1      LEU  74   2.073  -6.805   3.066
  589   2HD1  LEU  74          2HD1      LEU  74   1.460  -7.979   1.901
  590   3HD1  LEU  74          3HD1      LEU  74   0.841  -6.330   1.900
  591   1HD2  LEU  74          1HD2      LEU  74   1.920  -5.625  -0.644
  592   2HD2  LEU  74          2HD2      LEU  74   3.302  -4.755   0.012
  593   3HD2  LEU  74          3HD2      LEU  74   1.747  -4.688   0.835
  594    HA   PRO  75           HA       PRO  75   7.760  -3.757   3.023
  595   1HB   PRO  75          2HB       PRO  75   9.814  -5.574   3.806
  596   2HB   PRO  75          1HB       PRO  75   8.659  -4.749   4.852
  597   1HG   PRO  75          2HG       PRO  75   8.595  -7.506   3.774
  598   2HG   PRO  75          1HG       PRO  75   7.891  -6.863   5.267
  599   1HD   PRO  75          2HD       PRO  75   6.369  -7.507   3.158
  600   2HD   PRO  75          1HD       PRO  75   5.978  -6.116   4.188
  601    H    GLU  76           H        GLU  76   8.969  -6.617   1.318
  602    HA   GLU  76           HA       GLU  76  11.114  -5.153   0.063
  603   1HB   GLU  76          2HB       GLU  76  10.087  -7.848  -0.792
  604   2HB   GLU  76          1HB       GLU  76  11.707  -7.195  -0.977
  605   1HG   GLU  76          2HG       GLU  76  10.385  -8.268   1.483
  606   2HG   GLU  76          1HG       GLU  76  11.891  -8.774   0.720
  607    H    LEU  77           H        LEU  77   7.845  -6.226  -0.697
  608    HA   LEU  77           HA       LEU  77   7.898  -5.731  -3.465
  609   1HB   LEU  77          2HB       LEU  77   6.067  -6.932  -2.644
  610   2HB   LEU  77          1HB       LEU  77   5.756  -5.759  -1.383
  611    HG   LEU  77           HG       LEU  77   5.448  -4.846  -4.183
  612   1HD1  LEU  77          1HD1      LEU  77   3.593  -6.019  -4.677
  613   2HD1  LEU  77          2HD1      LEU  77   3.116  -6.181  -2.989
  614   3HD1  LEU  77          3HD1      LEU  77   4.373  -7.220  -3.651
  615   1HD2  LEU  77          1HD2      LEU  77   4.640  -3.111  -3.054
  616   2HD2  LEU  77          2HD2      LEU  77   4.732  -3.998  -1.533
  617   3HD2  LEU  77          3HD2      LEU  77   3.294  -4.126  -2.540
  618    H    VAL  78           H        VAL  78   6.584  -3.680  -0.855
  619    HA   VAL  78           HA       VAL  78   6.088  -1.397  -2.305
  620    HB   VAL  78           HB       VAL  78   7.139  -1.560   0.526
  621   1HG1  VAL  78          1HG1      VAL  78   6.784   0.706  -1.099
  622   2HG1  VAL  78          2HG1      VAL  78   7.078   0.655   0.635
  623   3HG1  VAL  78          3HG1      VAL  78   5.425   0.682   0.023
  624   1HG2  VAL  78          1HG2      VAL  78   5.063  -2.821   0.144
  625   2HG2  VAL  78          2HG2      VAL  78   4.307  -1.363  -0.498
  626   3HG2  VAL  78          3HG2      VAL  78   4.805  -1.427   1.193
  627    H    ASN  79           H        ASN  79   9.111  -2.666  -1.086
  628    HA   ASN  79           HA       ASN  79  10.777  -0.466  -1.402
  629   1HB   ASN  79          2HB       ASN  79  11.163  -3.025  -0.625
  630   2HB   ASN  79          1HB       ASN  79  11.872  -3.093  -2.236
  631   1HD2  ASN  79          1HD2      ASN  79  12.609  -2.686   0.878
  632   2HD2  ASN  79          2HD2      ASN  79  14.017  -1.692   0.743
  633    H    TYR  80           H        TYR  80   9.595  -2.809  -3.800
  634    HA   TYR  80           HA       TYR  80  11.182  -1.554  -5.884
  635   1HB   TYR  80          2HB       TYR  80  10.478  -3.248  -7.327
  636   2HB   TYR  80          1HB       TYR  80  10.552  -4.056  -5.768
  637    HD1  TYR  80           HD1      TYR  80   8.097  -2.266  -7.958
  638    HD2  TYR  80           HD2      TYR  80   8.772  -5.361  -5.124
  639    HE1  TYR  80           HE1      TYR  80   5.776  -3.026  -8.243
  640    HE2  TYR  80           HE2      TYR  80   6.455  -6.129  -5.400
  641    HH   TYR  80           HH       TYR  80   4.654  -6.011  -6.996
  642    H    HIS  81           H        HIS  81   7.945  -1.434  -4.626
  643    HA   HIS  81           HA       HIS  81   6.721  -0.092  -6.790
  644   1HB   HIS  81          2HB       HIS  81   6.025  -0.830  -4.074
  645   2HB   HIS  81          1HB       HIS  81   5.458   0.790  -4.446
  646    HD1  HIS  81           HD1      HIS  81   5.272  -0.766  -7.574
  647    HD2  HIS  81           HD2      HIS  81   3.046  -1.106  -4.083
  648    HE1  HIS  81           HE1      HIS  81   3.069  -1.742  -8.279
  649    HE2  HIS  81           HE2      HIS  81   1.728  -1.919  -6.156
  650    H    ARG  82           H        ARG  82   8.739   0.939  -4.132
  651    HA   ARG  82           HA       ARG  82   8.184   3.719  -4.464
  652   1HB   ARG  82          2HB       ARG  82   8.929   2.994  -2.292
  653   2HB   ARG  82          1HB       ARG  82  10.386   2.294  -2.985
  654   1HG   ARG  82          2HG       ARG  82  11.230   4.475  -3.549
  655   2HG   ARG  82          1HG       ARG  82   9.724   5.232  -3.022
  656   1HD   ARG  82          2HD       ARG  82  11.557   5.412  -1.357
  657   2HD   ARG  82          1HD       ARG  82  10.130   4.578  -0.743
  658    HE   ARG  82           HE       ARG  82  12.140   2.821  -1.814
  659   1HH1  ARG  82          2HH1      ARG  82  11.044   4.532   1.024
  660   2HH1  ARG  82          1HH1      ARG  82  11.844   3.464   2.129
  661   1HH2  ARG  82          1HH2      ARG  82  13.191   1.415  -0.363
  662   2HH2  ARG  82          2HH2      ARG  82  13.061   1.694   1.342
  663    H    ALA  83           H        ALA  83  10.633   1.511  -5.534
  664    HA   ALA  83           HA       ALA  83  12.261   3.490  -6.791
  665   1HB   ALA  83          1HB       ALA  83  13.628   1.773  -7.354
  666   2HB   ALA  83          2HB       ALA  83  12.298   0.757  -7.909
  667   3HB   ALA  83          3HB       ALA  83  12.653   0.881  -6.186
  668    H    GLN  84           H        GLN  84  10.231   0.939  -8.169
  669    HA   GLN  84           HA       GLN  84   9.757   2.600 -10.532
  670   1HB   GLN  84          2HB       GLN  84   9.374  -0.344  -9.998
  671   2HB   GLN  84          1HB       GLN  84   8.740   0.444 -11.437
  672   1HG   GLN  84          2HG       GLN  84  11.586   0.925 -10.886
  673   2HG   GLN  84          1HG       GLN  84  11.156  -0.737 -11.286
  674   1HE2  GLN  84          1HE2      GLN  84  12.406   1.832 -12.627
  675   2HE2  GLN  84          2HE2      GLN  84  11.742   1.758 -14.220
  676    H    SER  85           H        SER  85   7.736   3.302 -11.118
  677    HA   SER  85           HA       SER  85   5.645   3.034  -9.078
  678   1HB   SER  85          2HB       SER  85   5.153   4.753 -11.437
  679   2HB   SER  85          1HB       SER  85   4.889   5.081  -9.725
  680    HG   SER  85           HG       SER  85   6.614   6.269  -9.940
  681    H    LEU  86           H        LEU  86   6.291   0.816 -10.796
  682    HA   LEU  86           HA       LEU  86   4.702   0.478 -13.023
  683   1HB   LEU  86          2HB       LEU  86   6.443  -1.077 -11.625
  684   2HB   LEU  86          1HB       LEU  86   4.926  -1.892 -11.298
  685    HG   LEU  86           HG       LEU  86   5.545  -1.208 -14.128
  686   1HD1  LEU  86          1HD1      LEU  86   6.611  -3.781 -13.138
  687   2HD1  LEU  86          2HD1      LEU  86   7.554  -2.336 -12.777
  688   3HD1  LEU  86          3HD1      LEU  86   7.174  -2.746 -14.450
  689   1HD2  LEU  86          1HD2      LEU  86   3.501  -2.496 -12.932
  690   2HD2  LEU  86          2HD2      LEU  86   4.562  -3.856 -13.297
  691   3HD2  LEU  86          3HD2      LEU  86   4.013  -2.794 -14.593
  692    H    SER  87           H        SER  87   2.611   0.601 -13.303
  693    HA   SER  87           HA       SER  87   0.376   0.794 -12.815
  694   1HB   SER  87          2HB       SER  87  -0.458  -1.512 -11.881
  695   2HB   SER  87          1HB       SER  87   0.252  -1.416 -13.493
  696    HG   SER  87           HG       SER  87   1.336  -2.455 -11.123
  697    H    HIS  88           H        HIS  88   1.783   2.077 -10.765
  698    HA   HIS  88           HA       HIS  88  -0.085   1.630  -8.566
  699   1HB   HIS  88          2HB       HIS  88   1.864   0.410  -7.844
  700   2HB   HIS  88          1HB       HIS  88   2.914   1.769  -8.229
  701    HD1  HIS  88           HD1      HIS  88   1.359   0.217  -5.443
  702    HD2  HIS  88           HD2      HIS  88   2.059   4.155  -6.559
  703    HE1  HIS  88           HE1      HIS  88   1.189   1.555  -3.322
  704    HE2  HIS  88           HE2      HIS  88   1.651   3.933  -4.016
  705    H    GLY  89           H        GLY  89  -0.782   3.430  -7.572
  706   1HA   GLY  89          2HA       GLY  89  -0.434   5.904  -8.895
  707   2HA   GLY  89          1HA       GLY  89  -1.297   5.655  -7.389
  708    H    LEU  90           H        LEU  90   1.838   6.290  -8.822
  709    HA   LEU  90           HA       LEU  90   3.579   7.563  -8.084
  710   1HB   LEU  90          2HB       LEU  90   1.412   8.411  -6.437
  711   2HB   LEU  90          1HB       LEU  90   2.841   8.288  -5.434
  712    HG   LEU  90           HG       LEU  90   3.779   9.619  -7.647
  713   1HD1  LEU  90          1HD1      LEU  90   2.224  11.408  -8.121
  714   2HD1  LEU  90          2HD1      LEU  90   1.034  10.693  -7.035
  715   3HD1  LEU  90          3HD1      LEU  90   1.496   9.852  -8.514
  716   1HD2  LEU  90          1HD2      LEU  90   4.548  10.703  -5.862
  717   2HD2  LEU  90          2HD2      LEU  90   3.189  10.178  -4.869
  718   3HD2  LEU  90          3HD2      LEU  90   3.041  11.618  -5.876
  719    H    ARG  91           H        ARG  91   5.451   6.837  -7.373
  720    HA   ARG  91           HA       ARG  91   5.808   4.394  -6.135
  721   1HB   ARG  91          2HB       ARG  91   7.581   6.797  -6.429
  722   2HB   ARG  91          1HB       ARG  91   8.132   5.382  -5.547
  723   1HG   ARG  91          2HG       ARG  91   8.348   4.128  -7.417
  724   2HG   ARG  91          1HG       ARG  91   7.007   4.927  -8.241
  725   1HD   ARG  91          2HD       ARG  91   9.330   5.357  -9.167
  726   2HD   ARG  91          1HD       ARG  91   8.335   6.773  -8.837
  727    HE   ARG  91           HE       ARG  91   9.768   6.479  -6.563
  728   1HH1  ARG  91          2HH1      ARG  91  10.648   6.657  -9.935
  729   2HH1  ARG  91          1HH1      ARG  91  12.188   7.383  -9.622
  730   1HH2  ARG  91          1HH2      ARG  91  11.793   7.435  -6.152
  731   2HH2  ARG  91          2HH2      ARG  91  12.839   7.826  -7.477
  732    H    LEU  92           H        LEU  92   5.966   3.673  -4.085
  733    HA   LEU  92           HA       LEU  92   4.856   5.134  -1.956
  734   1HB   LEU  92          2HB       LEU  92   6.438   2.609  -2.136
  735   2HB   LEU  92          1HB       LEU  92   6.046   3.288  -0.571
  736    HG   LEU  92           HG       LEU  92   4.027   2.359  -0.626
  737   1HD1  LEU  92          1HD1      LEU  92   2.334   2.873  -2.235
  738   2HD1  LEU  92          2HD1      LEU  92   3.545   3.441  -3.384
  739   3HD1  LEU  92          3HD1      LEU  92   3.256   4.334  -1.892
  740   1HD2  LEU  92          1HD2      LEU  92   4.086   0.396  -1.602
  741   2HD2  LEU  92          2HD2      LEU  92   5.500   0.933  -2.507
  742   3HD2  LEU  92          3HD2      LEU  92   3.888   1.129  -3.192
  743    H    ALA  93           H        ALA  93   5.765   7.017  -1.356
  744    HA   ALA  93           HA       ALA  93   8.656   7.247  -1.148
  745   1HB   ALA  93          1HB       ALA  93   6.536   9.033  -1.717
  746   2HB   ALA  93          2HB       ALA  93   8.272   9.333  -1.767
  747   3HB   ALA  93          3HB       ALA  93   7.370   9.623  -0.280
  748    H    ALA  94           H        ALA  94   6.241   8.668   1.043
  749    HA   ALA  94           HA       ALA  94   7.865   7.678   3.294
  750   1HB   ALA  94          1HB       ALA  94   5.958   9.866   3.791
  751   2HB   ALA  94          2HB       ALA  94   7.304  10.249   2.717
  752   3HB   ALA  94          3HB       ALA  94   7.619   9.653   4.347
  753    HA   PRO  95           HA       PRO  95   4.307   5.661   5.010
  754   1HB   PRO  95          2HB       PRO  95   4.569   5.974   7.647
  755   2HB   PRO  95          1HB       PRO  95   5.790   5.108   6.709
  756   1HG   PRO  95          2HG       PRO  95   5.854   7.881   7.803
  757   2HG   PRO  95          1HG       PRO  95   7.165   6.697   7.668
  758   1HD   PRO  95          2HD       PRO  95   6.686   8.817   5.909
  759   2HD   PRO  95          1HD       PRO  95   7.712   7.410   5.583
  760    H    CYS  96           H        CYS  96   2.200   5.869   5.794
  761    HA   CYS  96           HA       CYS  96   0.991   8.406   5.539
  762   1HB   CYS  96          2HB       CYS  96  -0.244   6.049   6.956
  763   2HB   CYS  96          1HB       CYS  96  -1.060   7.329   6.066
  764    HG   CYS  96           HG       CYS  96  -0.727   4.912   4.786
  765    H    ARG  97           H        ARG  97  -0.577   9.187   7.346
  766    HA   ARG  97           HA       ARG  97   0.850   9.171   9.923
  767   1HB   ARG  97          2HB       ARG  97   0.255  11.407   8.164
  768   2HB   ARG  97          1HB       ARG  97  -0.411  11.650   9.774
  769   1HG   ARG  97          2HG       ARG  97   1.801  12.611   9.617
  770   2HG   ARG  97          1HG       ARG  97   1.805  11.248  10.740
  771   1HD   ARG  97          2HD       ARG  97   2.849   9.830   9.145
  772   2HD   ARG  97          1HD       ARG  97   2.606  11.001   7.850
  773    HE   ARG  97           HE       ARG  97   4.733  10.964   9.769
  774   1HH1  ARG  97          2HH1      ARG  97   2.828  13.018   7.688
  775   2HH1  ARG  97          1HH1      ARG  97   4.050  14.240   7.567
  776   1HH2  ARG  97          1HH2      ARG  97   6.341  12.568   9.610
  777   2HH2  ARG  97          2HH2      ARG  97   6.045  13.984   8.658
  778    H    LYS  98           H        LYS  98  -2.231   9.681   8.257
  779    HA   LYS  98           HA       LYS  98  -4.379   9.282   8.889
  780   1HB   LYS  98          2HB       LYS  98  -3.004   7.238  10.005
  781   2HB   LYS  98          1HB       LYS  98  -3.671   7.982  11.451
  782   1HG   LYS  98          2HG       LYS  98  -5.772   7.832   9.585
  783   2HG   LYS  98          1HG       LYS  98  -4.942   6.275   9.547
  784   1HD   LYS  98          2HD       LYS  98  -5.089   6.824  12.237
  785   2HD   LYS  98          1HD       LYS  98  -6.617   7.459  11.625
  786   1HE   LYS  98          2HE       LYS  98  -6.092   4.916  10.421
  787   2HE   LYS  98          1HE       LYS  98  -5.934   4.777  12.171
  788   1HZ   LYS  98          1HZ       LYS  98  -8.187   4.361  11.600
  789   2HZ   LYS  98          2HZ       LYS  98  -8.287   5.759  10.655
  790   3HZ   LYS  98          3HZ       LYS  98  -8.140   5.885  12.335
  791    H    HIS  99           H        HIS  99  -5.722   9.321  11.239
  792    HA   HIS  99           HA       HIS  99  -5.164  12.034  12.207
  793   1HB   HIS  99          2HB       HIS  99  -7.483  11.006  11.243
  794   2HB   HIS  99          1HB       HIS  99  -7.702  10.721  12.966
  795    HD1  HIS  99           HD1      HIS  99  -6.776  13.168  14.304
  796    HD2  HIS  99           HD2      HIS  99  -8.724  13.316  10.636
  797    HE1  HIS  99           HE1      HIS  99  -7.704  15.499  14.129
  798    HE2  HIS  99           HE2      HIS  99  -8.929  15.548  11.928
  799    H    GLU 100           HN       GLU 100  -3.704   9.712  13.167
  800    HA   GLU 100           HA       GLU 100  -2.934   8.837  15.121
  801   1HB   GLU 100          2HB       GLU 100  -4.463  11.160  16.309
  802   2HB   GLU 100          1HB       GLU 100  -3.303  10.166  17.180
  803   1HG   GLU 100          2HG       GLU 100  -1.551  10.882  15.599
  804   2HG   GLU 100          1HG       GLU 100  -2.727  11.939  14.817
  Start of MODEL    8
    1   1H    SER   1          1H        SER   1  12.461   3.485   3.290
    2   2H    SER   1          2H        SER   1  12.658   3.558   1.587
    3   3H    SER   1          3H        SER   1  12.690   2.043   2.393
    4    HA   SER   1           HA       SER   1  10.429   3.831   1.889
    5   1HB   SER   1          2HB       SER   1   9.479   1.730   0.987
    6   2HB   SER   1          1HB       SER   1  10.999   2.150   0.198
    7    HG   SER   1           HG       SER   1  10.792   0.341   2.373
    8    H    GLU   2           H        GLU   2   8.702   3.832   3.220
    9    HA   GLU   2           HA       GLU   2   8.575   1.862   5.385
   10   1HB   GLU   2          2HB       GLU   2   8.641   4.852   5.687
   11   2HB   GLU   2          1HB       GLU   2   7.864   3.835   6.893
   12   1HG   GLU   2          2HG       GLU   2  10.364   2.676   6.443
   13   2HG   GLU   2          1HG       GLU   2  10.650   4.414   6.503
   14    HA   PRO   3           HA       PRO   3   4.351   2.309   3.753
   15   1HB   PRO   3          2HB       PRO   3   3.659  -0.275   3.991
   16   2HB   PRO   3          1HB       PRO   3   4.754   0.244   2.716
   17   1HG   PRO   3          2HG       PRO   3   5.353  -1.165   5.259
   18   2HG   PRO   3          1HG       PRO   3   6.122  -1.332   3.673
   19   1HD   PRO   3          2HD       PRO   3   7.100   0.161   5.834
   20   2HD   PRO   3          1HD       PRO   3   7.653   0.272   4.153
   21    H    TRP   4           H        TRP   4   5.148   0.261   6.582
   22    HA   TRP   4           HA       TRP   4   4.282   0.239   8.697
   23   1HB   TRP   4          2HB       TRP   4   3.664   2.804   7.930
   24   2HB   TRP   4          1HB       TRP   4   2.070   2.130   8.256
   25    HD1  TRP   4           HD1      TRP   4   1.450   3.101  10.556
   26    HE1  TRP   4           HE1      TRP   4   2.556   3.143  12.880
   27    HE3  TRP   4           HE3      TRP   4   5.995   1.100   9.335
   28    HZ2  TRP   4           HZ2      TRP   4   5.025   2.425  14.043
   29    HZ3  TRP   4           HZ3      TRP   4   7.673   0.812  11.112
   30    HH2  TRP   4           HH2      TRP   4   7.197   1.462  13.416
   31    H    PHE   5           H        PHE   5   3.547  -1.837   8.361
   32    HA   PHE   5           HA       PHE   5   1.164  -2.464   6.954
   33   1HB   PHE   5          2HB       PHE   5   2.276  -4.237   9.107
   34   2HB   PHE   5          1HB       PHE   5   1.539  -4.685   7.574
   35    HD1  PHE   5           HD1      PHE   5   2.832  -4.355   5.457
   36    HD2  PHE   5           HD2      PHE   5   4.596  -3.931   9.308
   37    HE1  PHE   5           HE1      PHE   5   5.068  -4.595   4.457
   38    HE2  PHE   5           HE2      PHE   5   6.834  -4.170   8.313
   39    HZ   PHE   5           HZ       PHE   5   7.072  -4.503   5.884
   40    H    PHE   6           H        PHE   6  -0.897  -2.364   7.584
   41    HA   PHE   6           HA       PHE   6  -1.433  -1.691  10.386
   42   1HB   PHE   6          2HB       PHE   6  -2.826  -1.169   7.804
   43   2HB   PHE   6          1HB       PHE   6  -3.808  -1.290   9.261
   44    HD1  PHE   6           HD1      PHE   6  -2.431   0.004  11.326
   45    HD2  PHE   6           HD2      PHE   6  -2.471   1.003   7.190
   46    HE1  PHE   6           HE1      PHE   6  -1.883   2.335  11.888
   47    HE2  PHE   6           HE2      PHE   6  -1.922   3.336   7.744
   48    HZ   PHE   6           HZ       PHE   6  -1.627   4.005  10.096
   49    H    GLY   7           H        GLY   7  -3.070  -2.750  11.574
   50   1HA   GLY   7          2HA       GLY   7  -3.444  -5.534  10.726
   51   2HA   GLY   7          1HA       GLY   7  -3.576  -4.935  12.371
   52    H    CYS   8           H        CYS   8  -5.248  -2.625  11.272
   53    HA   CYS   8           HA       CYS   8  -7.629  -3.891  10.283
   54   1HB   CYS   8          2HB       CYS   8  -7.403  -4.238  12.905
   55   2HB   CYS   8          1HB       CYS   8  -8.051  -2.601  12.937
   56    HG   CYS   8           HG       CYS   8 -10.037  -4.265  13.035
   57    H    ILE   9           H        ILE   9  -7.132  -2.228   8.699
   58    HA   ILE   9           HA       ILE   9  -8.188   0.396   9.526
   59    HB   ILE   9           HB       ILE   9  -6.778   1.454   7.792
   60   1HG1  ILE   9          2HG1      ILE   9  -4.752  -0.542   7.536
   61   2HG1  ILE   9          1HG1      ILE   9  -6.286  -1.252   7.049
   62   1HG2  ILE   9          1HG2      ILE   9  -4.710   1.421   9.047
   63   2HG2  ILE   9          2HG2      ILE   9  -5.193  -0.074   9.848
   64   3HG2  ILE   9          3HG2      ILE   9  -6.089   1.415  10.147
   65   1HD1  ILE   9          1HD1      ILE   9  -6.565   0.254   5.310
   66   2HD1  ILE   9          2HD1      ILE   9  -4.837  -0.093   5.280
   67   3HD1  ILE   9          3HD1      ILE   9  -5.423   1.408   5.996
   68    H    SER  10           H        SER  10 -10.274  -0.188   8.856
   69    HA   SER  10           HA       SER  10 -11.061  -1.395   6.520
   70   1HB   SER  10          2HB       SER  10 -13.196  -0.179   6.756
   71   2HB   SER  10          1HB       SER  10 -12.632  -0.806   8.305
   72    HG   SER  10           HG       SER  10 -13.394   1.459   8.233
   73    H    ARG  11           H        ARG  11 -11.948  -0.504   4.523
   74    HA   ARG  11           HA       ARG  11 -10.165   1.080   3.135
   75   1HB   ARG  11          2HB       ARG  11 -12.314  -0.392   2.430
   76   2HB   ARG  11          1HB       ARG  11 -12.973   1.225   2.230
   77   1HG   ARG  11          2HG       ARG  11 -11.677   1.683   0.439
   78   2HG   ARG  11          1HG       ARG  11 -10.316   0.737   1.043
   79   1HD   ARG  11          2HD       ARG  11 -11.096  -0.424  -0.848
   80   2HD   ARG  11          1HD       ARG  11 -11.709  -1.322   0.537
   81    HE   ARG  11           HE       ARG  11 -13.272   0.346  -1.294
   82   1HH1  ARG  11          2HH1      ARG  11 -13.185  -1.837   1.438
   83   2HH1  ARG  11          1HH1      ARG  11 -14.887  -2.142   1.399
   84   1HH2  ARG  11          1HH2      ARG  11 -15.506  -0.060  -1.336
   85   2HH2  ARG  11          2HH2      ARG  11 -16.204  -1.136  -0.171
   86    H    SER  12           H        SER  12 -12.746   1.996   5.185
   87    HA   SER  12           HA       SER  12 -13.084   4.660   4.262
   88   1HB   SER  12          2HB       SER  12 -14.486   3.077   5.957
   89   2HB   SER  12          1HB       SER  12 -13.638   4.101   7.115
   90    HG   SER  12           HG       SER  12 -14.445   5.905   5.803
   91    H    GLU  13           H        GLU  13 -10.891   3.123   6.511
   92    HA   GLU  13           HA       GLU  13  -9.962   5.599   7.645
   93   1HB   GLU  13          2HB       GLU  13  -8.386   3.060   7.787
   94   2HB   GLU  13          1HB       GLU  13  -8.546   4.340   8.981
   95   1HG   GLU  13          2HG       GLU  13 -11.104   3.430   8.822
   96   2HG   GLU  13          1HG       GLU  13 -10.183   1.953   8.545
   97    H    ALA  14           H        ALA  14  -8.335   3.124   5.635
   98    HA   ALA  14           HA       ALA  14  -6.006   4.456   5.119
   99   1HB   ALA  14          1HB       ALA  14  -5.917   3.178   2.982
  100   2HB   ALA  14          2HB       ALA  14  -7.580   2.666   3.275
  101   3HB   ALA  14          3HB       ALA  14  -6.303   2.196   4.394
  102    H    VAL  15           H        VAL  15  -9.165   5.073   3.805
  103    HA   VAL  15           HA       VAL  15  -8.294   6.729   1.646
  104    HB   VAL  15           HB       VAL  15 -10.965   6.565   3.051
  105   1HG1  VAL  15          1HG1      VAL  15  -9.994   8.388   0.941
  106   2HG1  VAL  15          2HG1      VAL  15 -11.273   8.611   2.134
  107   3HG1  VAL  15          3HG1      VAL  15 -11.578   7.660   0.680
  108   1HG2  VAL  15          1HG2      VAL  15 -11.632   5.083   1.441
  109   2HG2  VAL  15          2HG2      VAL  15  -9.925   4.659   1.567
  110   3HG2  VAL  15          3HG2      VAL  15 -10.483   5.690   0.250
  111    H    ARG  16           H        ARG  16  -9.659   7.470   4.861
  112    HA   ARG  16           HA       ARG  16  -9.073  10.277   4.591
  113   1HB   ARG  16          2HB       ARG  16 -10.932   8.932   6.005
  114   2HB   ARG  16          1HB       ARG  16  -9.717   9.161   7.255
  115   1HG   ARG  16          2HG       ARG  16  -9.882  11.652   6.133
  116   2HG   ARG  16          1HG       ARG  16 -11.547  11.075   6.041
  117   1HD   ARG  16          2HD       ARG  16 -11.818  11.512   8.201
  118   2HD   ARG  16          1HD       ARG  16 -10.527  10.378   8.594
  119    HE   ARG  16           HE       ARG  16  -9.576  12.962   7.776
  120   1HH1  ARG  16          2HH1      ARG  16 -10.716  11.061  10.471
  121   2HH1  ARG  16          1HH1      ARG  16  -9.911  12.031  11.658
  122   1HH2  ARG  16          1HH2      ARG  16  -8.517  14.240   9.335
  123   2HH2  ARG  16          2HH2      ARG  16  -8.663  13.837  11.014
  124    H    ARG  17           H        ARG  17  -7.415   7.533   5.662
  125    HA   ARG  17           HA       ARG  17  -5.659   8.845   7.514
  126   1HB   ARG  17          2HB       ARG  17  -6.352   6.322   7.396
  127   2HB   ARG  17          1HB       ARG  17  -5.050   6.202   6.219
  128   1HG   ARG  17          2HG       ARG  17  -3.458   7.011   7.865
  129   2HG   ARG  17          1HG       ARG  17  -4.757   7.209   9.043
  130   1HD   ARG  17          2HD       ARG  17  -4.885   4.560   8.031
  131   2HD   ARG  17          1HD       ARG  17  -3.212   4.891   8.466
  132    HE   ARG  17           HE       ARG  17  -3.981   5.423  10.702
  133   1HH1  ARG  17          2HH1      ARG  17  -6.272   3.755   8.650
  134   2HH1  ARG  17          1HH1      ARG  17  -7.187   3.132   9.979
  135   1HH2  ARG  17          1HH2      ARG  17  -5.193   4.602  12.438
  136   2HH2  ARG  17          2HH2      ARG  17  -6.579   3.612  12.124
  137    H    LEU  18           H        LEU  18  -5.324   7.492   4.241
  138    HA   LEU  18           HA       LEU  18  -2.692   8.351   3.805
  139   1HB   LEU  18          2HB       LEU  18  -4.939   7.507   2.075
  140   2HB   LEU  18          1HB       LEU  18  -3.561   8.281   1.320
  141    HG   LEU  18           HG       LEU  18  -3.330   5.896   1.184
  142   1HD1  LEU  18          1HD1      LEU  18  -1.130   5.733   1.888
  143   2HD1  LEU  18          2HD1      LEU  18  -1.424   6.662   3.355
  144   3HD1  LEU  18          3HD1      LEU  18  -1.364   7.478   1.796
  145   1HD2  LEU  18          1HD2      LEU  18  -3.998   6.023   4.073
  146   2HD2  LEU  18          2HD2      LEU  18  -2.900   4.765   3.521
  147   3HD2  LEU  18          3HD2      LEU  18  -4.519   4.878   2.840
  148    H    GLN  19           H        GLN  19  -5.774   9.802   3.190
  149    HA   GLN  19           HA       GLN  19  -4.797  12.110   1.841
  150   1HB   GLN  19          2HB       GLN  19  -7.410  11.148   2.831
  151   2HB   GLN  19          1HB       GLN  19  -7.239  12.893   2.692
  152   1HG   GLN  19          2HG       GLN  19  -6.631  12.666   0.351
  153   2HG   GLN  19          1HG       GLN  19  -6.747  10.911   0.480
  154   1HE2  GLN  19          1HE2      GLN  19  -8.954  10.256   1.544
  155   2HE2  GLN  19          2HE2      GLN  19 -10.338  10.979   0.806
  156    H    ALA  20           H        ALA  20  -5.071  11.263   5.170
  157    HA   ALA  20           HA       ALA  20  -5.502  13.625   6.486
  158   1HB   ALA  20          1HB       ALA  20  -4.032  12.753   8.272
  159   2HB   ALA  20          2HB       ALA  20  -3.478  11.496   7.167
  160   3HB   ALA  20          3HB       ALA  20  -5.168  11.546   7.669
  161    H    GLU  21           H        GLU  21  -3.729  14.940   7.701
  162    HA   GLU  21           HA       GLU  21  -1.981  15.980   5.647
  163   1HB   GLU  21          2HB       GLU  21  -1.508  17.785   7.392
  164   2HB   GLU  21          1HB       GLU  21  -3.144  17.709   6.752
  165   1HG   GLU  21          2HG       GLU  21  -4.035  17.071   8.722
  166   2HG   GLU  21          1HG       GLU  21  -2.620  16.128   9.184
  167    H    GLY  22           H        GLY  22  -1.600  13.510   7.289
  168   1HA   GLY  22          2HA       GLY  22   1.060  14.024   8.407
  169   2HA   GLY  22          1HA       GLY  22   0.115  12.558   8.640
  170    H    ASN  23           H        ASN  23  -0.384  13.065   5.547
  171    HA   ASN  23           HA       ASN  23   1.958  11.496   4.700
  172   1HB   ASN  23          2HB       ASN  23  -0.886  11.547   3.694
  173   2HB   ASN  23          1HB       ASN  23   0.422  10.702   2.873
  174   1HD2  ASN  23          1HD2      ASN  23  -0.868   8.801   3.204
  175   2HD2  ASN  23          2HD2      ASN  23  -0.817   7.979   4.721
  176    H    ALA  24           H        ALA  24   3.316  12.390   3.326
  177    HA   ALA  24           HA       ALA  24   2.436  14.759   1.840
  178   1HB   ALA  24          1HB       ALA  24   5.024  14.971   1.521
  179   2HB   ALA  24          2HB       ALA  24   5.079  13.894   2.916
  180   3HB   ALA  24          3HB       ALA  24   4.272  15.458   3.040
  181    H    THR  25           H        THR  25   1.393  12.899   0.576
  182    HA   THR  25           HA       THR  25   1.205  11.705  -1.322
  183    HB   THR  25           HB       THR  25   2.516  12.451  -3.271
  184    HG1  THR  25           HG1      THR  25   3.839  14.258  -1.558
  185   1HG2  THR  25          1HG2      THR  25   1.698  14.636  -3.431
  186   2HG2  THR  25          2HG2      THR  25   1.777  14.884  -1.687
  187   3HG2  THR  25          3HG2      THR  25   0.569  13.794  -2.369
  188    H    GLY  26           H        GLY  26   1.789   9.763  -2.117
  189   1HA   GLY  26          2HA       GLY  26   3.189   7.940  -2.579
  190   2HA   GLY  26          1HA       GLY  26   4.522   8.794  -1.812
  191    H    ALA  27           H        ALA  27   2.638   9.373   0.520
  192    HA   ALA  27           HA       ALA  27   3.472   7.487   2.315
  193   1HB   ALA  27          1HB       ALA  27   0.825   8.935   2.305
  194   2HB   ALA  27          2HB       ALA  27   2.339   9.557   2.960
  195   3HB   ALA  27          3HB       ALA  27   1.561   8.161   3.707
  196    H    PHE  28           H        PHE  28   3.125   5.314   2.455
  197    HA   PHE  28           HA       PHE  28   0.593   4.291   1.314
  198   1HB   PHE  28          2HB       PHE  28   2.011   2.282   0.640
  199   2HB   PHE  28          1HB       PHE  28   2.230   3.764  -0.278
  200    HD1  PHE  28           HD1      PHE  28   3.854   1.192   1.479
  201    HD2  PHE  28           HD2      PHE  28   4.181   5.302   0.500
  202    HE1  PHE  28           HE1      PHE  28   6.271   1.114   1.958
  203    HE2  PHE  28           HE2      PHE  28   6.586   5.233   0.961
  204    HZ   PHE  28           HZ       PHE  28   7.639   3.138   1.698
  205    H    LEU  29           H        LEU  29   0.116   2.105   2.088
  206    HA   LEU  29           HA       LEU  29   1.199   1.299   4.634
  207   1HB   LEU  29          2HB       LEU  29  -1.035   1.368   5.743
  208   2HB   LEU  29          1HB       LEU  29  -0.294   2.927   5.469
  209    HG   LEU  29           HG       LEU  29  -2.251   3.598   4.624
  210   1HD1  LEU  29          1HD1      LEU  29  -1.576   1.673   2.442
  211   2HD1  LEU  29          2HD1      LEU  29  -1.342   3.414   2.477
  212   3HD1  LEU  29          3HD1      LEU  29  -2.965   2.740   2.384
  213   1HD2  LEU  29          1HD2      LEU  29  -4.026   1.801   4.016
  214   2HD2  LEU  29          2HD2      LEU  29  -3.595   2.074   5.705
  215   3HD2  LEU  29          3HD2      LEU  29  -2.917   0.700   4.831
  216    H    ILE  30           H        ILE  30   0.743  -0.845   5.126
  217    HA   ILE  30           HA       ILE  30  -0.844  -2.204   3.050
  218    HB   ILE  30           HB       ILE  30   1.054  -3.925   4.467
  219   1HG1  ILE  30          2HG1      ILE  30   2.076  -1.429   3.613
  220   2HG1  ILE  30          1HG1      ILE  30   2.995  -2.856   4.062
  221   1HG2  ILE  30          1HG2      ILE  30  -0.058  -4.923   2.717
  222   2HG2  ILE  30          2HG2      ILE  30   1.449  -4.455   1.939
  223   3HG2  ILE  30          3HG2      ILE  30   0.005  -3.476   1.716
  224   1HD1  ILE  30          1HD1      ILE  30   3.361  -3.466   1.872
  225   2HD1  ILE  30          2HD1      ILE  30   3.416  -1.706   1.785
  226   3HD1  ILE  30          3HD1      ILE  30   1.968  -2.568   1.273
  227    H    ARG  31           H        ARG  31  -2.645  -2.975   3.704
  228    HA   ARG  31           HA       ARG  31  -2.940  -3.840   6.504
  229   1HB   ARG  31          2HB       ARG  31  -5.277  -3.303   6.319
  230   2HB   ARG  31          1HB       ARG  31  -4.364  -1.921   5.729
  231   1HG   ARG  31          2HG       ARG  31  -4.721  -2.793   3.414
  232   2HG   ARG  31          1HG       ARG  31  -5.821  -3.984   4.108
  233   1HD   ARG  31          2HD       ARG  31  -6.805  -1.741   5.220
  234   2HD   ARG  31          1HD       ARG  31  -6.165  -1.077   3.720
  235    HE   ARG  31           HE       ARG  31  -8.009  -3.368   3.697
  236   1HH1  ARG  31          2HH1      ARG  31  -7.207  -0.107   2.714
  237   2HH1  ARG  31          1HH1      ARG  31  -8.509  -0.003   1.581
  238   1HH2  ARG  31          1HH2      ARG  31  -9.715  -3.219   2.209
  239   2HH2  ARG  31          2HH2      ARG  31  -9.932  -1.765   1.294
  240    H    VAL  32           H        VAL  32  -5.249  -5.274   6.295
  241    HA   VAL  32           HA       VAL  32  -4.353  -7.575   4.726
  242    HB   VAL  32           HB       VAL  32  -5.961  -8.894   6.075
  243   1HG1  VAL  32          1HG1      VAL  32  -3.690  -7.399   7.219
  244   2HG1  VAL  32          2HG1      VAL  32  -3.958  -9.138   7.092
  245   3HG1  VAL  32          3HG1      VAL  32  -4.746  -8.215   8.372
  246   1HG2  VAL  32          1HG2      VAL  32  -6.389  -6.315   7.583
  247   2HG2  VAL  32          2HG2      VAL  32  -7.048  -7.894   8.011
  248   3HG2  VAL  32          3HG2      VAL  32  -7.567  -7.094   6.527
  249    H    SER  33           H        SER  33  -5.815  -8.769   3.469
  250    HA   SER  33           HA       SER  33  -7.350  -7.259   1.722
  251   1HB   SER  33          2HB       SER  33  -7.354 -10.222   2.289
  252   2HB   SER  33          1HB       SER  33  -8.231  -9.484   0.948
  253    HG   SER  33           HG       SER  33  -5.915 -10.306   0.696
  254    H    GLU  34           H        GLU  34  -9.047  -6.082   2.413
  255    HA   GLU  34           HA       GLU  34 -10.944  -7.107   4.315
  256   1HB   GLU  34          2HB       GLU  34 -11.052  -4.638   2.572
  257   2HB   GLU  34          1HB       GLU  34 -12.180  -5.009   3.867
  258   1HG   GLU  34          2HG       GLU  34  -9.250  -4.825   4.419
  259   2HG   GLU  34          1HG       GLU  34 -10.237  -3.369   4.304
  260    H    LYS  35           H        LYS  35 -10.483  -7.132   0.962
  261    HA   LYS  35           HA       LYS  35 -13.173  -8.223   0.503
  262   1HB   LYS  35          2HB       LYS  35 -11.829  -7.497  -1.950
  263   2HB   LYS  35          1HB       LYS  35 -13.386  -6.964  -1.335
  264   1HG   LYS  35          2HG       LYS  35 -12.462  -5.103  -0.273
  265   2HG   LYS  35          1HG       LYS  35 -10.827  -5.761  -0.341
  266   1HD   LYS  35          2HD       LYS  35 -10.499  -5.091  -2.480
  267   2HD   LYS  35          1HD       LYS  35 -12.185  -5.353  -2.932
  268   1HE   LYS  35          2HE       LYS  35 -12.746  -3.227  -2.498
  269   2HE   LYS  35          1HE       LYS  35 -11.821  -3.197  -0.998
  270   1HZ   LYS  35          1HZ       LYS  35 -11.170  -1.848  -3.233
  271   2HZ   LYS  35          2HZ       LYS  35 -10.202  -3.226  -3.385
  272   3HZ   LYS  35          3HZ       LYS  35 -10.079  -2.255  -2.006
  273    HA   PRO  36           HA       PRO  36 -10.014 -10.921  -2.148
  274   1HB   PRO  36          2HB       PRO  36  -7.536 -10.239  -0.636
  275   2HB   PRO  36          1HB       PRO  36  -7.747 -10.554  -2.358
  276   1HG   PRO  36          2HG       PRO  36  -7.381  -8.079  -1.502
  277   2HG   PRO  36          1HG       PRO  36  -8.560  -8.422  -2.785
  278   1HD   PRO  36          2HD       PRO  36  -9.024  -7.880   0.120
  279   2HD   PRO  36          1HD       PRO  36  -9.931  -7.301  -1.292
  280    H    SER  37           H        SER  37  -8.210 -12.686  -1.149
  281    HA   SER  37           HA       SER  37  -9.603 -13.694   1.234
  282   1HB   SER  37          2HB       SER  37  -9.811 -15.239  -0.561
  283   2HB   SER  37          1HB       SER  37  -8.098 -15.114  -0.962
  284    HG   SER  37           HG       SER  37  -9.316 -16.753   0.792
  285    H    ALA  38           H        ALA  38  -6.484 -14.922   0.206
  286    HA   ALA  38           HA       ALA  38  -5.384 -14.108   2.802
  287   1HB   ALA  38          1HB       ALA  38  -3.563 -15.849   1.953
  288   2HB   ALA  38          2HB       ALA  38  -4.930 -16.418   0.997
  289   3HB   ALA  38          3HB       ALA  38  -5.049 -16.359   2.755
  290    H    ASP  39           H        ASP  39  -5.397 -11.990   1.336
  291    HA   ASP  39           HA       ASP  39  -2.640 -11.709   0.346
  292   1HB   ASP  39          2HB       ASP  39  -4.946 -10.189  -0.861
  293   2HB   ASP  39          1HB       ASP  39  -3.331 -10.421  -1.508
  294    H    TYR  40           H        TYR  40  -2.498  -9.060  -0.114
  295    HA   TYR  40           HA       TYR  40  -3.457  -7.702   2.306
  296   1HB   TYR  40          2HB       TYR  40  -0.619  -8.213   1.571
  297   2HB   TYR  40          1HB       TYR  40  -0.982  -6.536   1.971
  298    HD1  TYR  40           HD1      TYR  40  -0.373  -6.027   4.142
  299    HD2  TYR  40           HD2      TYR  40  -2.077  -9.840   3.344
  300    HE1  TYR  40           HE1      TYR  40  -0.245  -6.579   6.534
  301    HE2  TYR  40           HE2      TYR  40  -1.956 -10.403   5.733
  302    HH   TYR  40           HH       TYR  40  -1.633  -8.278   8.107
  303    H    VAL  41           H        VAL  41  -3.934  -5.564   2.000
  304    HA   VAL  41           HA       VAL  41  -3.703  -4.708  -0.815
  305    HB   VAL  41           HB       VAL  41  -5.681  -3.208  -0.315
  306   1HG1  VAL  41          1HG1      VAL  41  -5.626  -6.147  -0.643
  307   2HG1  VAL  41          2HG1      VAL  41  -6.365  -4.905  -1.656
  308   3HG1  VAL  41          3HG1      VAL  41  -7.188  -5.458  -0.198
  309   1HG2  VAL  41          1HG2      VAL  41  -5.371  -4.551   2.266
  310   2HG2  VAL  41          2HG2      VAL  41  -7.009  -4.643   1.625
  311   3HG2  VAL  41          3HG2      VAL  41  -6.237  -3.075   1.855
  312    H    LEU  42           H        LEU  42  -2.651  -2.924  -1.269
  313    HA   LEU  42           HA       LEU  42  -1.741  -1.297   0.986
  314   1HB   LEU  42          2HB       LEU  42   0.058  -2.443  -0.117
  315   2HB   LEU  42          1HB       LEU  42  -0.461  -1.836  -1.678
  316    HG   LEU  42           HG       LEU  42  -0.028   0.512  -0.662
  317   1HD1  LEU  42          1HD1      LEU  42   2.131  -0.420   0.956
  318   2HD1  LEU  42          2HD1      LEU  42   0.631  -1.140   1.542
  319   3HD1  LEU  42          3HD1      LEU  42   0.775   0.609   1.400
  320   1HD2  LEU  42          1HD2      LEU  42   1.991   0.507  -1.722
  321   2HD2  LEU  42          2HD2      LEU  42   1.340  -1.012  -2.337
  322   3HD2  LEU  42          3HD2      LEU  42   2.495  -1.023  -1.004
  323    H    SER  43           H        SER  43  -2.126   0.838   1.000
  324    HA   SER  43           HA       SER  43  -3.225   2.040  -1.430
  325   1HB   SER  43          2HB       SER  43  -5.063   2.633  -0.429
  326   2HB   SER  43          1HB       SER  43  -4.557   1.718   0.988
  327    HG   SER  43           HG       SER  43  -5.033   4.157   1.081
  328    H    VAL  44           H        VAL  44  -3.067   4.375  -1.508
  329    HA   VAL  44           HA       VAL  44  -0.867   5.502   0.023
  330    HB   VAL  44           HB       VAL  44   0.179   4.206  -1.842
  331   1HG1  VAL  44          1HG1      VAL  44  -0.161   4.646  -4.045
  332   2HG1  VAL  44          2HG1      VAL  44  -0.536   6.344  -3.762
  333   3HG1  VAL  44          3HG1      VAL  44  -1.750   5.107  -3.435
  334   1HG2  VAL  44          1HG2      VAL  44   1.373   6.497  -2.692
  335   2HG2  VAL  44          2HG2      VAL  44   1.752   5.650  -1.193
  336   3HG2  VAL  44          3HG2      VAL  44   0.638   7.015  -1.174
  337    H    ARG  45           H        ARG  45  -0.834   7.722   0.060
  338    HA   ARG  45           HA       ARG  45  -3.184   9.098  -0.751
  339   1HB   ARG  45          2HB       ARG  45  -1.718   9.779   1.180
  340   2HB   ARG  45          1HB       ARG  45  -0.516  10.310   0.014
  341   1HG   ARG  45          2HG       ARG  45  -2.694  11.643  -0.872
  342   2HG   ARG  45          1HG       ARG  45  -3.020  11.582   0.860
  343   1HD   ARG  45          2HD       ARG  45  -1.007  12.698   1.378
  344   2HD   ARG  45          1HD       ARG  45  -0.369  12.460  -0.248
  345    HE   ARG  45           HE       ARG  45  -1.534  14.309  -0.946
  346   1HH1  ARG  45          2HH1      ARG  45  -2.705  13.342   2.197
  347   2HH1  ARG  45          1HH1      ARG  45  -3.667  14.765   2.415
  348   1HH2  ARG  45          1HH2      ARG  45  -2.799  16.182  -0.661
  349   2HH2  ARG  45          2HH2      ARG  45  -3.720  16.378   0.793
  350    H    ASP  46           H        ASP  46  -0.469   8.044  -2.367
  351    HA   ASP  46           HA       ASP  46   0.445   8.462  -4.407
  352   1HB   ASP  46          2HB       ASP  46  -2.399   8.592  -4.690
  353   2HB   ASP  46          1HB       ASP  46  -1.652   9.709  -5.825
  354    H    THR  47           H        THR  47  -1.684  11.159  -4.866
  355    HA   THR  47           HA       THR  47   0.473  13.048  -4.302
  356    HB   THR  47           HB       THR  47   0.654  12.582  -6.682
  357    HG1  THR  47           HG1      THR  47  -0.586  15.088  -6.216
  358   1HG2  THR  47          1HG2      THR  47  -1.067  12.191  -8.002
  359   2HG2  THR  47          2HG2      THR  47  -1.727  13.791  -7.664
  360   3HG2  THR  47          3HG2      THR  47  -2.152  12.426  -6.632
  361    H    GLN  48           H        GLN  48  -2.409  12.214  -3.407
  362    HA   GLN  48           HA       GLN  48  -3.209  14.530  -2.209
  363   1HB   GLN  48          2HB       GLN  48  -3.866  14.553  -5.027
  364   2HB   GLN  48          1HB       GLN  48  -5.315  14.658  -4.036
  365   1HG   GLN  48          2HG       GLN  48  -3.989  16.501  -2.769
  366   2HG   GLN  48          1HG       GLN  48  -3.022  16.552  -4.242
  367   1HE2  GLN  48          1HE2      GLN  48  -3.616  18.348  -5.245
  368   2HE2  GLN  48          2HE2      GLN  48  -5.240  18.799  -5.625
  369    H    ALA  49           H        ALA  49  -5.358  12.665  -4.217
  370    HA   ALA  49           HA       ALA  49  -6.980  11.865  -2.010
  371   1HB   ALA  49          1HB       ALA  49  -6.996  10.816  -4.840
  372   2HB   ALA  49          2HB       ALA  49  -7.897  12.222  -4.272
  373   3HB   ALA  49          3HB       ALA  49  -8.274  10.619  -3.641
  374    H    VAL  50           H        VAL  50  -7.601   9.241  -2.367
  375    HA   VAL  50           HA       VAL  50  -5.052   7.928  -1.710
  376    HB   VAL  50           HB       VAL  50  -7.839   7.155  -0.835
  377   1HG1  VAL  50          1HG1      VAL  50  -5.149   5.877  -0.353
  378   2HG1  VAL  50          2HG1      VAL  50  -6.579   5.149  -1.085
  379   3HG1  VAL  50          3HG1      VAL  50  -6.571   5.539   0.635
  380   1HG2  VAL  50          1HG2      VAL  50  -5.559   8.575   0.480
  381   2HG2  VAL  50          2HG2      VAL  50  -6.703   7.640   1.441
  382   3HG2  VAL  50          3HG2      VAL  50  -7.271   8.991   0.462
  383    H    ARG  51           H        ARG  51  -4.533   5.964  -2.528
  384    HA   ARG  51           HA       ARG  51  -6.265   4.843  -4.614
  385   1HB   ARG  51          2HB       ARG  51  -3.273   5.179  -4.864
  386   2HB   ARG  51          1HB       ARG  51  -4.361   4.522  -6.079
  387   1HG   ARG  51          2HG       ARG  51  -5.505   6.889  -5.821
  388   2HG   ARG  51          1HG       ARG  51  -3.889   7.337  -5.269
  389   1HD   ARG  51          2HD       ARG  51  -3.354   7.572  -7.418
  390   2HD   ARG  51          1HD       ARG  51  -3.414   5.813  -7.522
  391    HE   ARG  51           HE       ARG  51  -5.899   7.285  -7.941
  392   1HH1  ARG  51          2HH1      ARG  51  -3.233   5.503  -9.331
  393   2HH1  ARG  51          1HH1      ARG  51  -4.055   5.200 -10.823
  394   1HH2  ARG  51          1HH2      ARG  51  -6.973   6.887  -9.906
  395   2HH2  ARG  51          2HH2      ARG  51  -6.174   5.986 -11.151
  396    H    HIS  52           H        HIS  52  -6.839   2.965  -3.706
  397    HA   HIS  52           HA       HIS  52  -4.992   1.499  -2.032
  398   1HB   HIS  52          2HB       HIS  52  -7.802   0.768  -2.930
  399   2HB   HIS  52          1HB       HIS  52  -6.889   0.010  -1.620
  400    HD1  HIS  52           HD1      HIS  52  -6.399   1.487   0.462
  401    HD2  HIS  52           HD2      HIS  52  -9.074   3.130  -2.242
  402    HE1  HIS  52           HE1      HIS  52  -7.238   3.565   1.545
  403    HE2  HIS  52           HE2      HIS  52  -8.800   4.600  -0.130
  404    H    TYR  53           H        TYR  53  -4.578  -0.824  -2.389
  405    HA   TYR  53           HA       TYR  53  -4.794  -1.741  -5.139
  406   1HB   TYR  53          2HB       TYR  53  -2.091  -1.505  -3.823
  407   2HB   TYR  53          1HB       TYR  53  -2.436  -1.992  -5.480
  408    HD1  TYR  53           HD1      TYR  53  -3.610  -0.220  -6.967
  409    HD2  TYR  53           HD2      TYR  53  -1.579   0.719  -3.352
  410    HE1  TYR  53           HE1      TYR  53  -3.355   2.103  -7.727
  411    HE2  TYR  53           HE2      TYR  53  -1.322   3.043  -4.099
  412    HH   TYR  53           HH       TYR  53  -2.393   4.089  -7.310
  413    H    LYS  54           H        LYS  54  -4.921  -3.891  -5.300
  414    HA   LYS  54           HA       LYS  54  -4.891  -5.465  -2.873
  415   1HB   LYS  54          2HB       LYS  54  -6.576  -5.590  -4.887
  416   2HB   LYS  54          1HB       LYS  54  -5.341  -6.614  -5.605
  417   1HG   LYS  54          2HG       LYS  54  -5.889  -7.417  -2.894
  418   2HG   LYS  54          1HG       LYS  54  -7.365  -7.378  -3.859
  419   1HD   LYS  54          2HD       LYS  54  -4.832  -8.756  -4.735
  420   2HD   LYS  54          1HD       LYS  54  -6.139  -9.570  -3.873
  421   1HE   LYS  54          2HE       LYS  54  -6.848 -10.026  -5.969
  422   2HE   LYS  54          1HE       LYS  54  -7.552  -8.414  -5.838
  423   1HZ   LYS  54          1HZ       LYS  54  -6.017  -7.528  -7.239
  424   2HZ   LYS  54          2HZ       LYS  54  -6.051  -9.100  -7.864
  425   3HZ   LYS  54          3HZ       LYS  54  -4.805  -8.632  -6.821
  426    H    ILE  55           H        ILE  55  -3.098  -6.385  -2.181
  427    HA   ILE  55           HA       ILE  55  -0.953  -7.022  -4.090
  428    HB   ILE  55           HB       ILE  55  -0.538  -7.252  -1.160
  429   1HG1  ILE  55          2HG1      ILE  55  -0.299  -4.517  -2.377
  430   2HG1  ILE  55          1HG1      ILE  55  -1.827  -5.036  -1.676
  431   1HG2  ILE  55          1HG2      ILE  55   1.067  -7.179  -3.461
  432   2HG2  ILE  55          2HG2      ILE  55   1.574  -7.334  -1.779
  433   3HG2  ILE  55          3HG2      ILE  55   1.450  -5.739  -2.518
  434   1HD1  ILE  55          1HD1      ILE  55   0.693  -4.302  -0.383
  435   2HD1  ILE  55          2HD1      ILE  55  -0.142  -5.692   0.310
  436   3HD1  ILE  55          3HD1      ILE  55  -0.970  -4.141   0.179
  437    H    TRP  56           H        TRP  56  -1.465  -9.004  -4.870
  438    HA   TRP  56           HA       TRP  56  -2.630 -11.020  -3.180
  439   1HB   TRP  56          2HB       TRP  56  -3.238 -10.636  -5.589
  440   2HB   TRP  56          1HB       TRP  56  -1.674 -11.316  -6.026
  441    HD1  TRP  56           HD1      TRP  56  -1.308 -13.965  -5.445
  442    HE1  TRP  56           HE1      TRP  56  -3.018 -15.881  -5.295
  443    HE3  TRP  56           HE3      TRP  56  -5.582 -11.201  -4.963
  444    HZ2  TRP  56           HZ2      TRP  56  -5.810 -16.182  -5.012
  445    HZ3  TRP  56           HZ3      TRP  56  -7.732 -12.381  -4.760
  446    HH2  TRP  56           HH2      TRP  56  -7.842 -14.820  -4.785
  447    H    ARG  57           H        ARG  57  -1.745 -12.790  -2.349
  448    HA   ARG  57           HA       ARG  57   1.150 -12.946  -2.296
  449   1HB   ARG  57          2HB       ARG  57  -0.599 -13.200  -0.315
  450   2HB   ARG  57          1HB       ARG  57  -0.575 -14.880  -0.828
  451   1HG   ARG  57          2HG       ARG  57   2.020 -14.572  -0.670
  452   2HG   ARG  57          1HG       ARG  57   1.581 -13.240   0.401
  453   1HD   ARG  57          2HD       ARG  57   1.005 -16.169   0.710
  454   2HD   ARG  57          1HD       ARG  57   1.848 -15.089   1.819
  455    HE   ARG  57           HE       ARG  57  -0.990 -15.488   1.607
  456   1HH1  ARG  57          2HH1      ARG  57   1.519 -13.284   2.613
  457   2HH1  ARG  57          1HH1      ARG  57   0.509 -12.453   3.748
  458   1HH2  ARG  57          1HH2      ARG  57  -2.322 -14.397   3.098
  459   2HH2  ARG  57          2HH2      ARG  57  -1.673 -13.084   4.022
  460    H    ARG  58           H        ARG  58   2.325 -14.849  -2.753
  461    HA   ARG  58           HA       ARG  58   1.145 -16.428  -4.893
  462   1HB   ARG  58          2HB       ARG  58   3.901 -15.837  -3.948
  463   2HB   ARG  58          1HB       ARG  58   3.642 -17.346  -4.807
  464   1HG   ARG  58          2HG       ARG  58   2.385 -15.682  -6.480
  465   2HG   ARG  58          1HG       ARG  58   3.566 -14.565  -5.790
  466   1HD   ARG  58          2HD       ARG  58   4.670 -15.453  -7.637
  467   2HD   ARG  58          1HD       ARG  58   5.287 -16.408  -6.290
  468    HE   ARG  58           HE       ARG  58   4.379 -18.252  -7.266
  469   1HH1  ARG  58          2HH1      ARG  58   2.724 -15.441  -8.505
  470   2HH1  ARG  58          1HH1      ARG  58   1.776 -16.344  -9.638
  471   1HH2  ARG  58          1HH2      ARG  58   3.134 -19.441  -8.758
  472   2HH2  ARG  58          2HH2      ARG  58   2.010 -18.615  -9.783
  473    H    ALA  59           H        ALA  59   0.729 -16.768  -1.818
  474    HA   ALA  59           HA       ALA  59   0.402 -18.477  -0.352
  475   1HB   ALA  59          1HB       ALA  59  -0.031 -19.667  -3.021
  476   2HB   ALA  59          2HB       ALA  59  -1.107 -19.579  -1.627
  477   3HB   ALA  59          3HB       ALA  59   0.171 -20.794  -1.678
  478    H    GLY  60           H        GLY  60   3.191 -17.805  -1.304
  479   1HA   GLY  60          2HA       GLY  60   4.508 -19.950   0.101
  480   2HA   GLY  60          1HA       GLY  60   4.908 -19.883  -1.608
  481    H    GLY  61           H        GLY  61   4.201 -16.961   0.143
  482   1HA   GLY  61          2HA       GLY  61   5.646 -15.390   1.097
  483   2HA   GLY  61          1HA       GLY  61   7.009 -16.404   0.652
  484    H    ARG  62           H        ARG  62   4.508 -14.316  -0.776
  485    HA   ARG  62           HA       ARG  62   6.372 -12.782  -2.232
  486   1HB   ARG  62          2HB       ARG  62   5.882 -15.205  -3.460
  487   2HB   ARG  62          1HB       ARG  62   4.763 -14.119  -4.272
  488   1HG   ARG  62          2HG       ARG  62   6.424 -12.891  -5.232
  489   2HG   ARG  62          1HG       ARG  62   7.573 -13.225  -3.935
  490   1HD   ARG  62          2HD       ARG  62   8.486 -14.811  -5.191
  491   2HD   ARG  62          1HD       ARG  62   6.965 -15.701  -5.138
  492    HE   ARG  62           HE       ARG  62   6.833 -13.691  -7.112
  493   1HH1  ARG  62          2HH1      ARG  62   8.329 -16.779  -6.481
  494   2HH1  ARG  62          1HH1      ARG  62   8.445 -17.206  -8.155
  495   1HH2  ARG  62          1HH2      ARG  62   6.983 -14.249  -9.314
  496   2HH2  ARG  62          2HH2      ARG  62   7.682 -15.769  -9.764
  497    H    LEU  63           H        LEU  63   5.375 -11.082  -3.431
  498    HA   LEU  63           HA       LEU  63   2.467 -10.856  -3.134
  499   1HB   LEU  63          2HB       LEU  63   4.553  -8.999  -2.062
  500   2HB   LEU  63          1HB       LEU  63   3.018  -8.347  -2.603
  501    HG   LEU  63           HG       LEU  63   2.906  -8.688  -0.233
  502   1HD1  LEU  63          1HD1      LEU  63   0.975  -9.364  -1.807
  503   2HD1  LEU  63          2HD1      LEU  63   0.901  -9.847  -0.114
  504   3HD1  LEU  63          3HD1      LEU  63   1.386 -11.014  -1.343
  505   1HD2  LEU  63          1HD2      LEU  63   3.852 -10.392   0.855
  506   2HD2  LEU  63          2HD2      LEU  63   4.621 -10.800  -0.678
  507   3HD2  LEU  63          3HD2      LEU  63   3.116 -11.589  -0.209
  508    H    HIS  64           H        HIS  64   1.454  -9.793  -4.777
  509    HA   HIS  64           HA       HIS  64   2.998  -8.267  -6.680
  510   1HB   HIS  64          2HB       HIS  64   2.405  -9.599  -8.615
  511   2HB   HIS  64          1HB       HIS  64   3.266 -10.604  -7.457
  512    HD1  HIS  64           HD1      HIS  64  -0.012 -10.207  -9.152
  513    HD2  HIS  64           HD2      HIS  64   1.693 -12.609  -6.221
  514    HE1  HIS  64           HE1      HIS  64  -1.602 -12.132  -8.853
  515    HE2  HIS  64           HE2      HIS  64  -0.475 -13.642  -7.181
  516    H    LEU  65           H        LEU  65   1.764  -6.478  -6.439
  517    HA   LEU  65           HA       LEU  65  -1.049  -6.542  -6.182
  518   1HB   LEU  65          2HB       LEU  65   0.749  -4.267  -7.016
  519   2HB   LEU  65          1HB       LEU  65  -0.941  -4.103  -6.580
  520    HG   LEU  65           HG       LEU  65  -0.176  -5.207  -4.332
  521   1HD1  LEU  65          1HD1      LEU  65   2.229  -4.037  -4.010
  522   2HD1  LEU  65          2HD1      LEU  65   2.349  -4.549  -5.692
  523   3HD1  LEU  65          3HD1      LEU  65   2.014  -5.733  -4.434
  524   1HD2  LEU  65          1HD2      LEU  65  -0.976  -3.146  -3.922
  525   2HD2  LEU  65          2HD2      LEU  65  -0.129  -2.430  -5.294
  526   3HD2  LEU  65          3HD2      LEU  65   0.730  -2.721  -3.782
  527    H    ASN  66           H        ASN  66   1.069  -6.794  -8.804
  528    HA   ASN  66           HA       ASN  66  -1.160  -6.769 -10.693
  529   1HB   ASN  66          2HB       ASN  66   0.315  -4.615 -10.726
  530   2HB   ASN  66          1HB       ASN  66   1.497  -5.645 -11.526
  531   1HD2  ASN  66          1HD2      ASN  66  -1.949  -4.822 -11.694
  532   2HD2  ASN  66          2HD2      ASN  66  -2.030  -4.787 -13.420
  533    H    GLU  67           H        GLU  67  -0.393  -7.771 -12.848
  534    HA   GLU  67           HA       GLU  67   0.771 -10.320 -12.206
  535   1HB   GLU  67          2HB       GLU  67  -0.615  -9.119 -14.535
  536   2HB   GLU  67          1HB       GLU  67   0.482 -10.450 -14.873
  537   1HG   GLU  67          2HG       GLU  67  -1.481 -11.572 -14.565
  538   2HG   GLU  67          1HG       GLU  67  -0.812 -11.625 -12.935
  539    H    ALA  68           H        ALA  68   2.479  -7.799 -12.201
  540    HA   ALA  68           HA       ALA  68   4.722  -9.005 -13.577
  541   1HB   ALA  68          1HB       ALA  68   3.608  -6.327 -14.359
  542   2HB   ALA  68          2HB       ALA  68   3.937  -7.722 -15.387
  543   3HB   ALA  68          3HB       ALA  68   5.273  -6.801 -14.697
  544    H    VAL  69           H        VAL  69   3.722  -7.985 -10.789
  545    HA   VAL  69           HA       VAL  69   6.309  -6.761 -10.107
  546    HB   VAL  69           HB       VAL  69   5.267  -5.192  -8.570
  547   1HG1  VAL  69          1HG1      VAL  69   3.685  -4.567 -10.960
  548   2HG1  VAL  69          2HG1      VAL  69   5.380  -4.944 -11.272
  549   3HG1  VAL  69          3HG1      VAL  69   4.957  -3.641 -10.161
  550   1HG2  VAL  69          1HG2      VAL  69   3.051  -6.866  -8.746
  551   2HG2  VAL  69          2HG2      VAL  69   2.543  -5.370  -9.527
  552   3HG2  VAL  69          3HG2      VAL  69   3.156  -5.338  -7.874
  553    H    SER  70           H        SER  70   6.278  -9.290  -9.673
  554    HA   SER  70           HA       SER  70   5.072  -9.991  -7.138
  555   1HB   SER  70          2HB       SER  70   7.070 -11.739  -8.520
  556   2HB   SER  70          1HB       SER  70   5.622 -12.190  -7.621
  557    HG   SER  70           HG       SER  70   4.411 -11.265  -9.388
  558    H    PHE  71           H        PHE  71   6.065 -10.177  -5.197
  559    HA   PHE  71           HA       PHE  71   8.964 -10.043  -4.990
  560   1HB   PHE  71          2HB       PHE  71   7.165  -7.800  -4.323
  561   2HB   PHE  71          1HB       PHE  71   8.392  -8.182  -3.118
  562    HD1  PHE  71           HD1      PHE  71   7.750  -6.861  -6.439
  563    HD2  PHE  71           HD2      PHE  71  10.770  -8.017  -3.672
  564    HE1  PHE  71           HE1      PHE  71   9.429  -5.650  -7.769
  565    HE2  PHE  71           HE2      PHE  71  12.453  -6.805  -4.995
  566    HZ   PHE  71           HZ       PHE  71  11.783  -5.621  -7.047
  567    H    LEU  72           H        LEU  72   9.596 -11.423  -3.602
  568    HA   LEU  72           HA       LEU  72   8.480 -13.292  -2.187
  569   1HB   LEU  72          2HB       LEU  72  10.250 -12.922  -0.386
  570   2HB   LEU  72          1HB       LEU  72  10.796 -13.116  -2.043
  571    HG   LEU  72           HG       LEU  72  10.678 -10.489  -2.078
  572   1HD1  LEU  72          1HD1      LEU  72  10.186  -9.535  -0.132
  573   2HD1  LEU  72          2HD1      LEU  72  11.652 -10.231   0.555
  574   3HD1  LEU  72          3HD1      LEU  72  10.126 -11.105   0.669
  575   1HD2  LEU  72          1HD2      LEU  72  12.864 -12.062  -0.711
  576   2HD2  LEU  72          2HD2      LEU  72  13.032 -10.419  -1.332
  577   3HD2  LEU  72          3HD2      LEU  72  12.707 -11.752  -2.440
  578    H    SER  73           H        SER  73   8.480  -9.946  -0.981
  579    HA   SER  73           HA       SER  73   6.241 -10.584   0.731
  580   1HB   SER  73          2HB       SER  73   8.583 -10.964   1.930
  581   2HB   SER  73          1HB       SER  73   8.481  -9.216   2.144
  582    HG   SER  73           HG       SER  73   6.888 -11.244   3.215
  583    H    LEU  74           H        LEU  74   5.912  -8.440   2.209
  584    HA   LEU  74           HA       LEU  74   5.127  -6.449   0.373
  585   1HB   LEU  74          2HB       LEU  74   5.163  -6.645   3.342
  586   2HB   LEU  74          1HB       LEU  74   4.817  -5.107   2.572
  587    HG   LEU  74           HG       LEU  74   3.263  -7.669   2.281
  588   1HD1  LEU  74          1HD1      LEU  74   1.452  -6.242   3.193
  589   2HD1  LEU  74          2HD1      LEU  74   2.649  -4.973   3.459
  590   3HD1  LEU  74          3HD1      LEU  74   2.787  -6.509   4.314
  591   1HD2  LEU  74          1HD2      LEU  74   3.180  -5.106   0.720
  592   2HD2  LEU  74          2HD2      LEU  74   1.743  -6.113   0.901
  593   3HD2  LEU  74          3HD2      LEU  74   3.186  -6.768   0.127
  594    HA   PRO  75           HA       PRO  75   8.629  -3.735   2.701
  595   1HB   PRO  75          2HB       PRO  75  10.743  -5.632   3.054
  596   2HB   PRO  75          1HB       PRO  75   9.904  -4.704   4.297
  597   1HG   PRO  75          2HG       PRO  75   9.468  -7.490   3.410
  598   2HG   PRO  75          1HG       PRO  75   9.127  -6.738   4.978
  599   1HD   PRO  75          2HD       PRO  75   7.164  -7.396   3.272
  600   2HD   PRO  75          1HD       PRO  75   7.062  -5.941   4.283
  601    H    GLU  76           H        GLU  76   9.276  -6.603   0.740
  602    HA   GLU  76           HA       GLU  76  11.143  -5.125  -0.928
  603   1HB   GLU  76          2HB       GLU  76  10.162  -7.960  -1.278
  604   2HB   GLU  76          1HB       GLU  76  11.557  -7.218  -2.048
  605   1HG   GLU  76          2HG       GLU  76  11.222  -7.931   0.850
  606   2HG   GLU  76          1HG       GLU  76  12.352  -8.621  -0.313
  607    H    LEU  77           H        LEU  77   7.832  -6.267  -0.933
  608    HA   LEU  77           HA       LEU  77   7.357  -5.970  -3.712
  609   1HB   LEU  77          2HB       LEU  77   5.773  -7.246  -2.549
  610   2HB   LEU  77          1HB       LEU  77   5.616  -6.054  -1.278
  611    HG   LEU  77           HG       LEU  77   3.677  -6.372  -2.960
  612   1HD1  LEU  77          1HD1      LEU  77   4.261  -3.505  -2.847
  613   2HD1  LEU  77          2HD1      LEU  77   4.420  -4.346  -1.305
  614   3HD1  LEU  77          3HD1      LEU  77   2.899  -4.418  -2.195
  615   1HD2  LEU  77          1HD2      LEU  77   3.981  -5.836  -5.093
  616   2HD2  LEU  77          2HD2      LEU  77   5.704  -5.678  -4.764
  617   3HD2  LEU  77          3HD2      LEU  77   4.653  -4.266  -4.657
  618    H    VAL  78           H        VAL  78   7.149  -3.797  -0.954
  619    HA   VAL  78           HA       VAL  78   6.076  -1.611  -2.457
  620    HB   VAL  78           HB       VAL  78   7.390  -1.682   0.265
  621   1HG1  VAL  78          1HG1      VAL  78   7.006   0.557  -1.360
  622   2HG1  VAL  78          2HG1      VAL  78   7.338   0.542   0.370
  623   3HG1  VAL  78          3HG1      VAL  78   5.675   0.585  -0.209
  624   1HG2  VAL  78          1HG2      VAL  78   5.272  -1.789   1.192
  625   2HG2  VAL  78          2HG2      VAL  78   5.104  -2.823  -0.228
  626   3HG2  VAL  78          3HG2      VAL  78   4.491  -1.169  -0.263
  627    H    ASN  79           H        ASN  79   9.270  -2.748  -1.541
  628    HA   ASN  79           HA       ASN  79  10.870  -0.574  -1.991
  629   1HB   ASN  79          2HB       ASN  79  11.319  -3.241  -1.594
  630   2HB   ASN  79          1HB       ASN  79  11.888  -3.036  -3.248
  631   1HD2  ASN  79          1HD2      ASN  79  13.902  -3.683  -2.042
  632   2HD2  ASN  79          2HD2      ASN  79  14.876  -2.402  -1.413
  633    H    TYR  80           H        TYR  80   9.818  -2.911  -4.473
  634    HA   TYR  80           HA       TYR  80  10.911  -1.461  -6.650
  635   1HB   TYR  80          2HB       TYR  80  10.418  -3.813  -6.903
  636   2HB   TYR  80          1HB       TYR  80   8.717  -3.544  -6.539
  637    HD1  TYR  80           HD1      TYR  80   7.311  -3.685  -8.357
  638    HD2  TYR  80           HD2      TYR  80  11.244  -2.171  -8.937
  639    HE1  TYR  80           HE1      TYR  80   6.847  -3.411 -10.756
  640    HE2  TYR  80           HE2      TYR  80  10.789  -1.890 -11.337
  641    HH   TYR  80           HH       TYR  80   9.126  -3.039 -13.041
  642    H    HIS  81           H        HIS  81   7.780  -1.489  -5.055
  643    HA   HIS  81           HA       HIS  81   6.342   0.090  -6.873
  644   1HB   HIS  81          2HB       HIS  81   6.092  -0.561  -3.974
  645   2HB   HIS  81          1HB       HIS  81   5.146   0.782  -4.598
  646    HD1  HIS  81           HD1      HIS  81   5.707  -2.137  -6.818
  647    HD2  HIS  81           HD2      HIS  81   2.798  -0.729  -4.213
  648    HE1  HIS  81           HE1      HIS  81   3.657  -3.504  -7.303
  649    HE2  HIS  81           HE2      HIS  81   1.864  -2.498  -5.853
  650    H    ARG  82           H        ARG  82   8.540   0.902  -4.264
  651    HA   ARG  82           HA       ARG  82   7.987   3.654  -4.211
  652   1HB   ARG  82          2HB       ARG  82   9.038   2.776  -2.292
  653   2HB   ARG  82          1HB       ARG  82  10.287   1.996  -3.246
  654   1HG   ARG  82          2HG       ARG  82  10.404   4.821  -3.688
  655   2HG   ARG  82          1HG       ARG  82  10.391   4.495  -1.955
  656   1HD   ARG  82          2HD       ARG  82  12.623   4.295  -2.315
  657   2HD   ARG  82          1HD       ARG  82  12.148   2.641  -2.687
  658    HE   ARG  82           HE       ARG  82  12.372   3.128  -4.999
  659   1HH1  ARG  82          2HH1      ARG  82  13.411   5.754  -2.933
  660   2HH1  ARG  82          1HH1      ARG  82  14.355   6.510  -4.170
  661   1HH2  ARG  82          1HH2      ARG  82  13.607   4.132  -6.617
  662   2HH2  ARG  82          2HH2      ARG  82  14.463   5.596  -6.259
  663    H    ALA  83           H        ALA  83  10.355   1.771  -5.897
  664    HA   ALA  83           HA       ALA  83  11.645   4.022  -7.077
  665   1HB   ALA  83          1HB       ALA  83  11.803   1.073  -7.386
  666   2HB   ALA  83          2HB       ALA  83  13.083   2.251  -7.097
  667   3HB   ALA  83          3HB       ALA  83  12.399   2.070  -8.713
  668    H    GLN  84           H        GLN  84   9.725   1.432  -8.524
  669    HA   GLN  84           HA       GLN  84   8.953   3.243 -10.687
  670   1HB   GLN  84          2HB       GLN  84   9.726   0.550 -10.652
  671   2HB   GLN  84          1HB       GLN  84   8.009   0.534 -11.030
  672   1HG   GLN  84          2HG       GLN  84   8.997   0.649 -13.109
  673   2HG   GLN  84          1HG       GLN  84   8.601   2.335 -12.773
  674   1HE2  GLN  84          1HE2      GLN  84  11.264   0.169 -11.861
  675   2HE2  GLN  84          2HE2      GLN  84  12.528   1.222 -12.387
  676    H    SER  85           H        SER  85   6.889   3.795 -11.169
  677    HA   SER  85           HA       SER  85   4.857   3.141  -9.159
  678   1HB   SER  85          2HB       SER  85   3.784   4.962 -11.017
  679   2HB   SER  85          1HB       SER  85   4.343   5.308  -9.381
  680    HG   SER  85           HG       SER  85   6.442   5.646 -10.287
  681    H    LEU  86           H        LEU  86   5.872   1.509 -11.597
  682    HA   LEU  86           HA       LEU  86   4.112   1.234 -13.631
  683   1HB   LEU  86          2HB       LEU  86   6.050  -0.144 -13.536
  684   2HB   LEU  86          1HB       LEU  86   5.523  -0.902 -12.047
  685    HG   LEU  86           HG       LEU  86   3.502  -1.695 -13.578
  686   1HD1  LEU  86          1HD1      LEU  86   4.068  -0.595 -15.593
  687   2HD1  LEU  86          2HD1      LEU  86   4.449  -2.301 -15.829
  688   3HD1  LEU  86          3HD1      LEU  86   5.742  -1.145 -15.505
  689   1HD2  LEU  86          1HD2      LEU  86   4.423  -3.745 -13.407
  690   2HD2  LEU  86          2HD2      LEU  86   5.608  -2.897 -12.414
  691   3HD2  LEU  86          3HD2      LEU  86   5.958  -3.234 -14.110
  692    H    SER  87           H        SER  87   3.818  -0.865 -10.770
  693    HA   SER  87           HA       SER  87   0.952  -1.089 -11.328
  694   1HB   SER  87          2HB       SER  87   0.994  -3.056  -9.877
  695   2HB   SER  87          1HB       SER  87   2.229  -3.190 -11.127
  696    HG   SER  87           HG       SER  87   3.682  -2.287  -9.457
  697    H    HIS  88           H        HIS  88   2.118   1.277 -10.055
  698    HA   HIS  88           HA       HIS  88   0.316   1.364  -7.803
  699   1HB   HIS  88          2HB       HIS  88   2.667   0.520  -7.052
  700   2HB   HIS  88          1HB       HIS  88   3.129   2.212  -7.221
  701    HD1  HIS  88           HD1      HIS  88   1.156  -0.108  -5.091
  702    HD2  HIS  88           HD2      HIS  88   1.948   3.958  -5.348
  703    HE1  HIS  88           HE1      HIS  88   0.357   0.875  -2.920
  704    HE2  HIS  88           HE2      HIS  88   0.988   3.303  -3.046
  705    H    GLY  89           H        GLY  89  -0.601   3.284  -7.607
  706   1HA   GLY  89          2HA       GLY  89  -0.565   5.235  -9.485
  707   2HA   GLY  89          1HA       GLY  89  -1.012   5.532  -7.816
  708    H    LEU  90           H        LEU  90   1.298   5.437  -6.448
  709    HA   LEU  90           HA       LEU  90   3.087   7.329  -7.812
  710   1HB   LEU  90          2HB       LEU  90   1.278   8.160  -6.015
  711   2HB   LEU  90          1HB       LEU  90   2.580   7.738  -4.922
  712    HG   LEU  90           HG       LEU  90   3.758   9.271  -6.966
  713   1HD1  LEU  90          1HD1      LEU  90   2.169  10.606  -7.749
  714   2HD1  LEU  90          2HD1      LEU  90   2.080  11.319  -6.139
  715   3HD1  LEU  90          3HD1      LEU  90   0.992  10.004  -6.581
  716   1HD2  LEU  90          1HD2      LEU  90   3.218   9.487  -4.072
  717   2HD2  LEU  90          2HD2      LEU  90   3.634  10.981  -4.911
  718   3HD2  LEU  90          3HD2      LEU  90   4.739   9.608  -4.957
  719    H    ARG  91           H        ARG  91   5.231   7.420  -7.015
  720    HA   ARG  91           HA       ARG  91   6.329   4.928  -6.323
  721   1HB   ARG  91          2HB       ARG  91   7.368   7.719  -6.537
  722   2HB   ARG  91          1HB       ARG  91   8.375   6.510  -5.758
  723   1HG   ARG  91          2HG       ARG  91   8.379   5.160  -7.747
  724   2HG   ARG  91          1HG       ARG  91   7.230   6.247  -8.526
  725   1HD   ARG  91          2HD       ARG  91   9.966   7.079  -7.578
  726   2HD   ARG  91          1HD       ARG  91   9.607   6.572  -9.227
  727    HE   ARG  91           HE       ARG  91   8.960   9.095  -8.006
  728   1HH1  ARG  91          2HH1      ARG  91   8.156   6.852 -10.556
  729   2HH1  ARG  91          1HH1      ARG  91   7.436   8.063 -11.563
  730   1HH2  ARG  91          1HH2      ARG  91   8.015  10.689  -9.330
  731   2HH2  ARG  91          2HH2      ARG  91   7.359  10.241 -10.870
  732    H    LEU  92           H        LEU  92   5.762   4.002  -4.438
  733    HA   LEU  92           HA       LEU  92   5.022   5.098  -2.061
  734   1HB   LEU  92          2HB       LEU  92   6.649   2.607  -2.462
  735   2HB   LEU  92          1HB       LEU  92   5.765   3.017  -0.999
  736    HG   LEU  92           HG       LEU  92   4.576   2.551  -3.722
  737   1HD1  LEU  92          1HD1      LEU  92   4.119   0.964  -1.210
  738   2HD1  LEU  92          2HD1      LEU  92   5.337   0.531  -2.411
  739   3HD1  LEU  92          3HD1      LEU  92   3.632   0.563  -2.855
  740   1HD2  LEU  92          1HD2      LEU  92   2.909   3.841  -3.041
  741   2HD2  LEU  92          2HD2      LEU  92   3.576   3.959  -1.414
  742   3HD2  LEU  92          3HD2      LEU  92   2.541   2.597  -1.845
  743    H    ALA  93           H        ALA  93   6.000   6.823  -1.284
  744    HA   ALA  93           HA       ALA  93   8.903   6.772  -0.856
  745   1HB   ALA  93          1HB       ALA  93   7.118   8.775  -1.717
  746   2HB   ALA  93          2HB       ALA  93   8.863   8.891  -1.483
  747   3HB   ALA  93          3HB       ALA  93   7.767   9.292  -0.161
  748    H    ALA  94           H        ALA  94   6.372   8.447   1.005
  749    HA   ALA  94           HA       ALA  94   7.745   7.650   3.456
  750   1HB   ALA  94          1HB       ALA  94   6.991   9.559   4.386
  751   2HB   ALA  94          2HB       ALA  94   5.407   9.434   3.622
  752   3HB   ALA  94          3HB       ALA  94   6.783  10.044   2.703
  753    HA   PRO  95           HA       PRO  95   4.413   5.071   4.856
  754   1HB   PRO  95          2HB       PRO  95   4.461   5.385   7.498
  755   2HB   PRO  95          1HB       PRO  95   5.880   4.776   6.638
  756   1HG   PRO  95          2HG       PRO  95   5.376   7.471   7.790
  757   2HG   PRO  95          1HG       PRO  95   6.896   6.575   7.647
  758   1HD   PRO  95          2HD       PRO  95   5.957   8.616   5.924
  759   2HD   PRO  95          1HD       PRO  95   7.359   7.560   5.660
  760    H    CYS  96           H        CYS  96   2.337   4.887   5.975
  761    HA   CYS  96           HA       CYS  96   0.710   7.228   5.537
  762   1HB   CYS  96          2HB       CYS  96  -0.048   4.941   4.910
  763   2HB   CYS  96          1HB       CYS  96  -0.087   4.518   6.618
  764    HG   CYS  96           HG       CYS  96  -2.187   6.158   5.130
  765    H    ARG  97           H        ARG  97   0.752   8.773   7.039
  766    HA   ARG  97           HA       ARG  97   1.097   8.103   9.843
  767   1HB   ARG  97          2HB       ARG  97   0.893  10.747   8.397
  768   2HB   ARG  97          1HB       ARG  97   1.093  10.598  10.138
  769   1HG   ARG  97          2HG       ARG  97   3.182   9.233   9.608
  770   2HG   ARG  97          1HG       ARG  97   3.021   9.859   7.966
  771   1HD   ARG  97          2HD       ARG  97   2.744  12.112   9.521
  772   2HD   ARG  97          1HD       ARG  97   3.959  11.177  10.391
  773    HE   ARG  97           HE       ARG  97   4.808  11.096   7.814
  774   1HH1  ARG  97          2HH1      ARG  97   3.947  13.682   9.994
  775   2HH1  ARG  97          1HH1      ARG  97   5.034  14.821   9.273
  776   1HH2  ARG  97          1HH2      ARG  97   6.238  12.592   6.864
  777   2HH2  ARG  97          2HH2      ARG  97   6.336  14.202   7.496
  778    H    LYS  98           H        LYS  98  -0.370   8.526  11.474
  779    HA   LYS  98           HA       LYS  98  -3.155   8.630  10.611
  780   1HB   LYS  98          2HB       LYS  98  -2.259   8.262  13.454
  781   2HB   LYS  98          1HB       LYS  98  -3.726   7.683  12.676
  782   1HG   LYS  98          2HG       LYS  98  -2.243   6.167  11.300
  783   2HG   LYS  98          1HG       LYS  98  -0.933   6.614  12.395
  784   1HD   LYS  98          2HD       LYS  98  -2.898   5.953  14.154
  785   2HD   LYS  98          1HD       LYS  98  -3.238   4.844  12.824
  786   1HE   LYS  98          2HE       LYS  98  -0.612   4.489  12.955
  787   2HE   LYS  98          1HE       LYS  98  -0.876   5.003  14.620
  788   1HZ   LYS  98          1HZ       LYS  98  -1.961   3.112  15.123
  789   2HZ   LYS  98          2HZ       LYS  98  -1.102   2.484  13.809
  790   3HZ   LYS  98          3HZ       LYS  98  -2.704   2.984  13.608
  791    H    HIS  99           H        HIS  99  -1.175  10.132  13.170
  792    HA   HIS  99           HA       HIS  99  -1.986  12.762  12.608
  793   1HB   HIS  99          2HB       HIS  99  -3.497  13.202  14.478
  794   2HB   HIS  99          1HB       HIS  99  -4.175  11.973  13.415
  795    HD1  HIS  99           HD1      HIS  99  -1.825  10.072  15.105
  796    HD2  HIS  99           HD2      HIS  99  -5.396  11.829  16.302
  797    HE1  HIS  99           HE1      HIS  99  -2.543   8.806  17.155
  798    HE2  HIS  99           HE2      HIS  99  -4.746   9.835  17.815
  799    H    GLU 100           HN       GLU 100   0.392  11.343  13.252
  800    HA   GLU 100           HA       GLU 100   2.290  11.553  14.484
  801   1HB   GLU 100          2HB       GLU 100   0.910  14.124  14.731
  802   2HB   GLU 100          1HB       GLU 100   2.017  13.798  16.058
  803   1HG   GLU 100          2HG       GLU 100   3.047  15.055  14.206
  804   2HG   GLU 100          1HG       GLU 100   3.850  13.521  14.539
  Start of MODEL    9
    1   1H    SER   1          1H        SER   1  10.622   5.276   2.631
    2   2H    SER   1          2H        SER   1  10.288   5.336   4.314
    3   3H    SER   1          3H        SER   1   9.003   5.176   3.187
    4    HA   SER   1           HA       SER   1   9.838   3.050   2.514
    5   1HB   SER   1          2HB       SER   1  12.023   3.904   4.351
    6   2HB   SER   1          1HB       SER   1  11.604   2.190   4.339
    7    HG   SER   1           HG       SER   1  11.804   2.414   1.957
    8    H    GLU   2           H        GLU   2   9.180   1.120   3.628
    9    HA   GLU   2           HA       GLU   2   7.903  -0.085   5.070
   10   1HB   GLU   2          2HB       GLU   2   9.286   1.842   6.799
   11   2HB   GLU   2          1HB       GLU   2   7.785   1.226   7.477
   12   1HG   GLU   2          2HG       GLU   2   9.417  -0.878   6.330
   13   2HG   GLU   2          1HG       GLU   2  10.262   0.021   7.590
   14    HA   PRO   3           HA       PRO   3   4.209   2.512   4.102
   15   1HB   PRO   3          2HB       PRO   3   2.615   0.239   3.909
   16   2HB   PRO   3          1HB       PRO   3   3.428   1.017   2.561
   17   1HG   PRO   3          2HG       PRO   3   4.189  -1.409   4.096
   18   2HG   PRO   3          1HG       PRO   3   4.439  -1.040   2.382
   19   1HD   PRO   3          2HD       PRO   3   6.423  -0.932   4.216
   20   2HD   PRO   3          1HD       PRO   3   6.376   0.115   2.788
   21    H    TRP   4           H        TRP   4   4.867   0.041   6.459
   22    HA   TRP   4           HA       TRP   4   4.223  -0.163   8.641
   23   1HB   TRP   4          2HB       TRP   4   2.765   2.357   7.955
   24   2HB   TRP   4          1HB       TRP   4   2.219   1.447   9.356
   25    HD1  TRP   4           HD1      TRP   4   5.900   1.966   8.292
   26    HE1  TRP   4           HE1      TRP   4   7.124   3.163  10.213
   27    HE3  TRP   4           HE3      TRP   4   1.924   2.784  11.399
   28    HZ2  TRP   4           HZ2      TRP   4   6.486   4.304  12.716
   29    HZ3  TRP   4           HZ3      TRP   4   2.316   3.934  13.539
   30    HH2  TRP   4           HH2      TRP   4   4.551   4.677  14.183
   31    H    PHE   5           H        PHE   5   3.449  -2.177   8.262
   32    HA   PHE   5           HA       PHE   5   1.027  -2.745   6.937
   33   1HB   PHE   5          2HB       PHE   5   1.338  -5.033   7.744
   34   2HB   PHE   5          1HB       PHE   5   2.850  -4.376   7.126
   35    HD1  PHE   5           HD1      PHE   5   1.083  -5.622  10.039
   36    HD2  PHE   5           HD2      PHE   5   4.648  -3.741   8.673
   37    HE1  PHE   5           HE1      PHE   5   2.188  -6.182  12.164
   38    HE2  PHE   5           HE2      PHE   5   5.760  -4.298  10.796
   39    HZ   PHE   5           HZ       PHE   5   4.530  -5.521  12.545
   40    H    PHE   6           H        PHE   6  -0.979  -2.438   7.612
   41    HA   PHE   6           HA       PHE   6  -1.480  -2.303  10.507
   42   1HB   PHE   6          2HB       PHE   6  -2.513  -0.844   8.213
   43   2HB   PHE   6          1HB       PHE   6  -3.812  -1.508   9.201
   44    HD1  PHE   6           HD1      PHE   6  -3.737  -1.032  11.714
   45    HD2  PHE   6           HD2      PHE   6  -1.437   1.112   8.846
   46    HE1  PHE   6           HE1      PHE   6  -3.462   0.812  13.319
   47    HE2  PHE   6           HE2      PHE   6  -1.158   2.960  10.446
   48    HZ   PHE   6           HZ       PHE   6  -2.171   2.812  12.686
   49    H    GLY   7           H        GLY   7  -3.412  -3.355  11.352
   50   1HA   GLY   7          2HA       GLY   7  -4.182  -5.693   9.714
   51   2HA   GLY   7          1HA       GLY   7  -3.844  -5.815  11.432
   52    H    CYS   8           H        CYS   8  -5.596  -3.040  10.250
   53    HA   CYS   8           HA       CYS   8  -8.187  -4.081  10.356
   54   1HB   CYS   8          2HB       CYS   8  -6.975  -3.612  12.950
   55   2HB   CYS   8          1HB       CYS   8  -8.436  -2.654  12.742
   56    HG   CYS   8           HG       CYS   8  -8.424  -5.760  12.512
   57    H    ILE   9           H        ILE   9  -6.688  -2.105   8.883
   58    HA   ILE   9           HA       ILE   9  -8.097   0.374   9.587
   59    HB   ILE   9           HB       ILE   9  -6.627   1.508   7.984
   60   1HG1  ILE   9          2HG1      ILE   9  -4.609  -0.483   7.633
   61   2HG1  ILE   9          1HG1      ILE   9  -6.141  -1.135   7.057
   62   1HG2  ILE   9          1HG2      ILE   9  -5.229  -0.157  10.062
   63   2HG2  ILE   9          2HG2      ILE   9  -5.904   1.460  10.258
   64   3HG2  ILE   9          3HG2      ILE   9  -4.494   1.212   9.229
   65   1HD1  ILE   9          1HD1      ILE   9  -6.389   0.563   5.471
   66   2HD1  ILE   9          2HD1      ILE   9  -4.692   0.093   5.382
   67   3HD1  ILE   9          3HD1      ILE   9  -5.158   1.567   6.230
   68    H    SER  10           H        SER  10 -10.143  -0.313   8.852
   69    HA   SER  10           HA       SER  10 -10.849  -1.461   6.477
   70   1HB   SER  10          2HB       SER  10 -12.190   0.427   8.335
   71   2HB   SER  10          1HB       SER  10 -12.912   0.246   6.737
   72    HG   SER  10           HG       SER  10 -12.224  -1.976   8.346
   73    H    ARG  11           H        ARG  11 -11.861  -0.496   4.536
   74    HA   ARG  11           HA       ARG  11 -10.091   1.138   3.154
   75   1HB   ARG  11          2HB       ARG  11 -11.876  -0.410   2.202
   76   2HB   ARG  11          1HB       ARG  11 -13.016   0.899   2.484
   77   1HG   ARG  11          2HG       ARG  11 -12.142   2.208   0.821
   78   2HG   ARG  11          1HG       ARG  11 -10.544   1.466   0.926
   79   1HD   ARG  11          2HD       ARG  11 -11.078  -0.190  -0.508
   80   2HD   ARG  11          1HD       ARG  11 -12.720  -0.342   0.117
   81    HE   ARG  11           HE       ARG  11 -11.903   1.131  -2.166
   82   1HH1  ARG  11          2HH1      ARG  11 -14.164   1.186   0.491
   83   2HH1  ARG  11          1HH1      ARG  11 -15.330   2.146  -0.356
   84   1HH2  ARG  11          1HH2      ARG  11 -13.435   2.393  -3.283
   85   2HH2  ARG  11          2HH2      ARG  11 -14.917   2.830  -2.499
   86    H    SER  12           H        SER  12 -12.615   1.953   5.299
   87    HA   SER  12           HA       SER  12 -13.040   4.627   4.398
   88   1HB   SER  12          2HB       SER  12 -13.697   3.228   6.996
   89   2HB   SER  12          1HB       SER  12 -14.137   4.903   6.664
   90    HG   SER  12           HG       SER  12 -15.177   3.986   4.708
   91    H    GLU  13           H        GLU  13 -10.808   3.075   6.585
   92    HA   GLU  13           HA       GLU  13  -9.906   5.546   7.765
   93   1HB   GLU  13          2HB       GLU  13  -8.415   2.939   7.871
   94   2HB   GLU  13          1HB       GLU  13  -8.404   4.256   9.035
   95   1HG   GLU  13          2HG       GLU  13 -10.812   2.542   8.477
   96   2HG   GLU  13          1HG       GLU  13  -9.645   2.216   9.758
   97    H    ALA  14           H        ALA  14  -8.382   3.112   5.637
   98    HA   ALA  14           HA       ALA  14  -6.012   4.416   5.139
   99   1HB   ALA  14          1HB       ALA  14  -6.268   2.194   4.372
  100   2HB   ALA  14          2HB       ALA  14  -6.040   3.185   2.935
  101   3HB   ALA  14          3HB       ALA  14  -7.652   2.620   3.369
  102    H    VAL  15           H        VAL  15  -9.181   5.059   3.827
  103    HA   VAL  15           HA       VAL  15  -8.314   6.739   1.693
  104    HB   VAL  15           HB       VAL  15 -10.973   6.556   3.108
  105   1HG1  VAL  15          1HG1      VAL  15 -11.629   7.708   0.794
  106   2HG1  VAL  15          2HG1      VAL  15 -10.023   8.407   1.003
  107   3HG1  VAL  15          3HG1      VAL  15 -11.253   8.637   2.245
  108   1HG2  VAL  15          1HG2      VAL  15 -10.483   5.738   0.288
  109   2HG2  VAL  15          2HG2      VAL  15 -11.657   5.125   1.452
  110   3HG2  VAL  15          3HG2      VAL  15  -9.957   4.676   1.594
  111    H    ARG  16           H        ARG  16  -9.819   7.508   4.831
  112    HA   ARG  16           HA       ARG  16  -9.124  10.286   4.619
  113   1HB   ARG  16          2HB       ARG  16 -10.409   8.600   6.747
  114   2HB   ARG  16          1HB       ARG  16  -9.934  10.260   7.076
  115   1HG   ARG  16          2HG       ARG  16 -11.305  10.736   4.882
  116   2HG   ARG  16          1HG       ARG  16 -12.085   9.213   5.314
  117   1HD   ARG  16          2HD       ARG  16 -13.044  10.078   7.192
  118   2HD   ARG  16          1HD       ARG  16 -11.735  11.228   7.462
  119    HE   ARG  16           HE       ARG  16 -12.953  12.775   6.322
  120   1HH1  ARG  16          2HH1      ARG  16 -14.052   9.607   5.357
  121   2HH1  ARG  16          1HH1      ARG  16 -15.330  10.216   4.360
  122   1HH2  ARG  16          1HH2      ARG  16 -14.634  13.578   5.012
  123   2HH2  ARG  16          2HH2      ARG  16 -15.661  12.471   4.164
  124    H    ARG  17           H        ARG  17  -7.348   7.593   5.397
  125    HA   ARG  17           HA       ARG  17  -5.716   8.856   7.447
  126   1HB   ARG  17          2HB       ARG  17  -6.294   6.428   7.570
  127   2HB   ARG  17          1HB       ARG  17  -5.370   6.163   6.098
  128   1HG   ARG  17          2HG       ARG  17  -3.333   6.710   7.178
  129   2HG   ARG  17          1HG       ARG  17  -4.176   7.329   8.599
  130   1HD   ARG  17          2HD       ARG  17  -5.153   4.808   8.490
  131   2HD   ARG  17          1HD       ARG  17  -3.541   4.558   7.825
  132    HE   ARG  17           HE       ARG  17  -4.220   5.320  10.540
  133   1HH1  ARG  17          2HH1      ARG  17  -1.711   4.983   8.134
  134   2HH1  ARG  17          1HH1      ARG  17  -0.430   4.944   9.298
  135   1HH2  ARG  17          1HH2      ARG  17  -2.534   5.270  12.067
  136   2HH2  ARG  17          2HH2      ARG  17  -0.896   5.108  11.528
  137    H    LEU  18           H        LEU  18  -5.321   7.559   4.167
  138    HA   LEU  18           HA       LEU  18  -2.668   8.323   3.736
  139   1HB   LEU  18          2HB       LEU  18  -4.977   7.597   2.074
  140   2HB   LEU  18          1HB       LEU  18  -3.678   8.462   1.268
  141    HG   LEU  18           HG       LEU  18  -3.396   6.056   1.061
  142   1HD1  LEU  18          1HD1      LEU  18  -1.495   7.906   2.076
  143   2HD1  LEU  18          2HD1      LEU  18  -1.226   6.495   1.064
  144   3HD1  LEU  18          3HD1      LEU  18  -1.177   6.336   2.813
  145   1HD2  LEU  18          1HD2      LEU  18  -4.438   5.132   2.933
  146   2HD2  LEU  18          2HD2      LEU  18  -3.558   6.173   4.051
  147   3HD2  LEU  18          3HD2      LEU  18  -2.724   4.857   3.228
  148    H    GLN  19           H        GLN  19  -5.665  10.001   3.280
  149    HA   GLN  19           HA       GLN  19  -4.438  12.352   2.144
  150   1HB   GLN  19          2HB       GLN  19  -7.213  11.516   2.842
  151   2HB   GLN  19          1HB       GLN  19  -6.882  13.236   2.691
  152   1HG   GLN  19          2HG       GLN  19  -6.006  12.834   0.421
  153   2HG   GLN  19          1HG       GLN  19  -6.446  11.135   0.582
  154   1HE2  GLN  19          1HE2      GLN  19  -8.271  10.637  -0.375
  155   2HE2  GLN  19          2HE2      GLN  19  -9.641  11.670  -0.573
  156    H    ALA  20           H        ALA  20  -5.434  11.252   5.295
  157    HA   ALA  20           HA       ALA  20  -5.459  13.786   6.591
  158   1HB   ALA  20          1HB       ALA  20  -6.623  12.191   7.763
  159   2HB   ALA  20          2HB       ALA  20  -5.102  12.250   8.655
  160   3HB   ALA  20          3HB       ALA  20  -5.397  10.951   7.499
  161    H    GLU  21           H        GLU  21  -3.977  14.014   8.619
  162    HA   GLU  21           HA       GLU  21  -1.902  14.651   9.314
  163   1HB   GLU  21          2HB       GLU  21  -1.620  11.859   8.412
  164   2HB   GLU  21          1HB       GLU  21  -0.140  12.743   8.757
  165   1HG   GLU  21          2HG       GLU  21  -2.419  12.563  10.704
  166   2HG   GLU  21          1HG       GLU  21  -1.110  11.384  10.647
  167    H    GLY  22           H        GLY  22   0.512  14.755   8.665
  168   1HA   GLY  22          2HA       GLY  22   0.625  16.426   6.386
  169   2HA   GLY  22          1HA       GLY  22   2.012  15.790   7.268
  170    H    ASN  23           H        ASN  23  -0.068  13.310   6.416
  171    HA   ASN  23           HA       ASN  23   1.458  11.656   5.018
  172   1HB   ASN  23          2HB       ASN  23  -1.402  12.294   4.738
  173   2HB   ASN  23          1HB       ASN  23  -0.698  11.436   3.377
  174   1HD2  ASN  23          1HD2      ASN  23  -1.774  11.233   6.605
  175   2HD2  ASN  23          2HD2      ASN  23  -1.445   9.555   6.850
  176    H    ALA  24           H        ALA  24   3.147  12.763   4.047
  177    HA   ALA  24           HA       ALA  24   2.781  14.444   1.799
  178   1HB   ALA  24          1HB       ALA  24   5.269  12.829   2.235
  179   2HB   ALA  24          2HB       ALA  24   4.866  14.159   3.321
  180   3HB   ALA  24          3HB       ALA  24   5.101  14.466   1.600
  181    H    THR  25           H        THR  25   2.453  13.954  -0.261
  182    HA   THR  25           HA       THR  25   1.324  11.786  -1.206
  183    HB   THR  25           HB       THR  25   2.380  12.255  -3.453
  184    HG1  THR  25           HG1      THR  25   4.107  13.433  -3.565
  185   1HG2  THR  25          1HG2      THR  25   1.529  14.495  -3.714
  186   2HG2  THR  25          2HG2      THR  25   1.515  14.719  -1.964
  187   3HG2  THR  25          3HG2      THR  25   0.431  13.546  -2.711
  188    H    GLY  26           H        GLY  26   1.758   9.756  -1.958
  189   1HA   GLY  26          2HA       GLY  26   3.188   7.946  -2.590
  190   2HA   GLY  26          1HA       GLY  26   4.525   8.761  -1.785
  191    H    ALA  27           H        ALA  27   2.476   9.336   0.463
  192    HA   ALA  27           HA       ALA  27   3.279   7.560   2.343
  193   1HB   ALA  27          1HB       ALA  27   0.683   9.013   2.012
  194   2HB   ALA  27          2HB       ALA  27   1.997   9.326   3.147
  195   3HB   ALA  27          3HB       ALA  27   0.940   7.933   3.383
  196    H    PHE  28           H        PHE  28   3.164   5.394   2.508
  197    HA   PHE  28           HA       PHE  28   0.903   4.035   1.206
  198   1HB   PHE  28          2HB       PHE  28   2.620   2.184   0.804
  199   2HB   PHE  28          1HB       PHE  28   2.735   3.628  -0.183
  200    HD1  PHE  28           HD1      PHE  28   4.340   5.507   0.994
  201    HD2  PHE  28           HD2      PHE  28   4.633   1.299   1.474
  202    HE1  PHE  28           HE1      PHE  28   6.703   5.731   1.590
  203    HE2  PHE  28           HE2      PHE  28   7.002   1.535   2.086
  204    HZ   PHE  28           HZ       PHE  28   8.038   3.754   2.141
  205    H    LEU  29           H        LEU  29   0.287   2.076   2.113
  206    HA   LEU  29           HA       LEU  29   1.280   1.255   4.693
  207   1HB   LEU  29          2HB       LEU  29  -0.978   1.403   5.742
  208   2HB   LEU  29          1HB       LEU  29  -0.167   2.931   5.494
  209    HG   LEU  29           HG       LEU  29  -1.962   3.739   4.443
  210   1HD1  LEU  29          1HD1      LEU  29  -1.159   1.802   2.490
  211   2HD1  LEU  29          2HD1      LEU  29  -1.908   3.366   2.273
  212   3HD1  LEU  29          3HD1      LEU  29  -2.903   1.939   2.532
  213   1HD2  LEU  29          1HD2      LEU  29  -2.957   1.060   5.242
  214   2HD2  LEU  29          2HD2      LEU  29  -3.976   2.079   4.227
  215   3HD2  LEU  29          3HD2      LEU  29  -3.438   2.662   5.803
  216    H    ILE  30           H        ILE  30   0.752  -0.900   5.155
  217    HA   ILE  30           HA       ILE  30  -0.869  -2.172   3.044
  218    HB   ILE  30           HB       ILE  30   0.924  -3.926   4.585
  219   1HG1  ILE  30          2HG1      ILE  30   2.202  -1.700   3.956
  220   2HG1  ILE  30          1HG1      ILE  30   2.954  -3.264   3.693
  221   1HG2  ILE  30          1HG2      ILE  30  -0.506  -3.853   2.095
  222   2HG2  ILE  30          2HG2      ILE  30   0.194  -5.224   2.946
  223   3HG2  ILE  30          3HG2      ILE  30   1.178  -4.289   1.831
  224   1HD1  ILE  30          1HD1      ILE  30   2.610  -1.223   1.844
  225   2HD1  ILE  30          2HD1      ILE  30   1.447  -2.460   1.375
  226   3HD1  ILE  30          3HD1      ILE  30   3.155  -2.868   1.526
  227    H    ARG  31           H        ARG  31  -2.724  -2.929   3.630
  228    HA   ARG  31           HA       ARG  31  -3.120  -3.760   6.431
  229   1HB   ARG  31          2HB       ARG  31  -5.527  -3.194   6.009
  230   2HB   ARG  31          1HB       ARG  31  -4.440  -1.811   5.933
  231   1HG   ARG  31          2HG       ARG  31  -4.585  -1.661   3.626
  232   2HG   ARG  31          1HG       ARG  31  -5.185  -3.311   3.475
  233   1HD   ARG  31          2HD       ARG  31  -7.323  -2.732   4.211
  234   2HD   ARG  31          1HD       ARG  31  -6.767  -1.227   4.935
  235    HE   ARG  31           HE       ARG  31  -6.275  -0.827   2.323
  236   1HH1  ARG  31          2HH1      ARG  31  -9.114  -1.922   4.036
  237   2HH1  ARG  31          1HH1      ARG  31 -10.218  -1.286   2.864
  238   1HH2  ARG  31          1HH2      ARG  31  -7.727   0.004   0.779
  239   2HH2  ARG  31          2HH2      ARG  31  -9.432  -0.192   1.016
  240    H    VAL  32           H        VAL  32  -5.154  -5.300   6.522
  241    HA   VAL  32           HA       VAL  32  -4.524  -7.496   4.740
  242    HB   VAL  32           HB       VAL  32  -6.108  -8.810   6.107
  243   1HG1  VAL  32          1HG1      VAL  32  -4.079  -9.110   7.056
  244   2HG1  VAL  32          2HG1      VAL  32  -4.814  -8.210   8.383
  245   3HG1  VAL  32          3HG1      VAL  32  -3.779  -7.380   7.221
  246   1HG2  VAL  32          1HG2      VAL  32  -7.674  -7.009   6.654
  247   2HG2  VAL  32          2HG2      VAL  32  -6.452  -6.256   7.678
  248   3HG2  VAL  32          3HG2      VAL  32  -7.109  -7.835   8.107
  249    H    SER  33           H        SER  33  -5.640  -8.131   3.053
  250    HA   SER  33           HA       SER  33  -7.474  -6.580   1.732
  251   1HB   SER  33          2HB       SER  33  -8.103  -9.168   0.925
  252   2HB   SER  33          1HB       SER  33  -6.862  -8.129   0.226
  253    HG   SER  33           HG       SER  33  -6.614 -10.291   1.956
  254    H    GLU  34           H        GLU  34  -9.357  -5.874   2.505
  255    HA   GLU  34           HA       GLU  34 -10.954  -7.335   4.352
  256   1HB   GLU  34          2HB       GLU  34 -11.416  -4.834   2.743
  257   2HB   GLU  34          1HB       GLU  34 -12.674  -5.520   3.760
  258   1HG   GLU  34          2HG       GLU  34 -10.028  -5.073   5.002
  259   2HG   GLU  34          1HG       GLU  34 -10.992  -3.650   4.610
  260    H    LYS  35           H        LYS  35 -10.560  -7.530   1.030
  261    HA   LYS  35           HA       LYS  35 -13.098  -8.986   0.744
  262   1HB   LYS  35          2HB       LYS  35 -12.100  -8.192  -1.827
  263   2HB   LYS  35          1HB       LYS  35 -13.640  -7.815  -1.074
  264   1HG   LYS  35          2HG       LYS  35 -12.990  -5.740  -0.464
  265   2HG   LYS  35          1HG       LYS  35 -11.322  -6.225  -0.162
  266   1HD   LYS  35          2HD       LYS  35 -10.671  -5.764  -2.267
  267   2HD   LYS  35          1HD       LYS  35 -12.171  -6.369  -2.971
  268   1HE   LYS  35          2HE       LYS  35 -12.255  -4.093  -3.430
  269   2HE   LYS  35          1HE       LYS  35 -13.235  -4.242  -1.972
  270   1HZ   LYS  35          1HZ       LYS  35 -11.907  -2.515  -1.379
  271   2HZ   LYS  35          2HZ       LYS  35 -10.600  -3.024  -2.325
  272   3HZ   LYS  35          3HZ       LYS  35 -10.918  -3.781  -0.846
  273    HA   PRO  36           HA       PRO  36  -9.757 -11.239  -2.118
  274   1HB   PRO  36          2HB       PRO  36  -7.363 -10.118  -0.727
  275   2HB   PRO  36          1HB       PRO  36  -7.563 -10.584  -2.419
  276   1HG   PRO  36          2HG       PRO  36  -7.576  -8.024  -1.730
  277   2HG   PRO  36          1HG       PRO  36  -8.699  -8.633  -2.961
  278   1HD   PRO  36          2HD       PRO  36  -9.217  -7.899  -0.119
  279   2HD   PRO  36          1HD       PRO  36 -10.246  -7.690  -1.547
  280    H    SER  37           H        SER  37  -8.029 -12.939  -1.386
  281    HA   SER  37           HA       SER  37  -8.566 -13.670   1.419
  282   1HB   SER  37          2HB       SER  37  -9.695 -15.011  -0.572
  283   2HB   SER  37          1HB       SER  37  -8.123 -15.808  -0.618
  284    HG   SER  37           HG       SER  37  -8.469 -16.650   1.329
  285    H    ALA  38           H        ALA  38  -6.852 -14.139   2.638
  286    HA   ALA  38           HA       ALA  38  -4.671 -14.297   3.285
  287   1HB   ALA  38          1HB       ALA  38  -5.299 -16.516   1.893
  288   2HB   ALA  38          2HB       ALA  38  -3.747 -16.265   2.693
  289   3HB   ALA  38          3HB       ALA  38  -3.912 -15.946   0.966
  290    H    ASP  39           H        ASP  39  -5.075 -11.957   1.957
  291    HA   ASP  39           HA       ASP  39  -2.486 -11.575   0.646
  292   1HB   ASP  39          2HB       ASP  39  -5.116 -10.565  -0.461
  293   2HB   ASP  39          1HB       ASP  39  -3.525 -10.159  -1.094
  294    H    TYR  40           H        TYR  40  -2.573  -8.937   0.072
  295    HA   TYR  40           HA       TYR  40  -3.554  -7.523   2.433
  296   1HB   TYR  40          2HB       TYR  40  -0.717  -8.095   1.896
  297   2HB   TYR  40          1HB       TYR  40  -1.040  -6.369   2.034
  298    HD1  TYR  40           HD1      TYR  40  -1.685  -9.587   3.793
  299    HD2  TYR  40           HD2      TYR  40  -1.138  -5.384   4.160
  300    HE1  TYR  40           HE1      TYR  40  -1.673  -9.809   6.242
  301    HE2  TYR  40           HE2      TYR  40  -1.119  -5.596   6.608
  302    HH   TYR  40           HH       TYR  40  -0.522  -7.600   8.283
  303    H    VAL  41           H        VAL  41  -4.148  -5.485   2.032
  304    HA   VAL  41           HA       VAL  41  -3.856  -4.658  -0.774
  305    HB   VAL  41           HB       VAL  41  -5.830  -3.104  -0.222
  306   1HG1  VAL  41          1HG1      VAL  41  -5.790  -6.036  -0.690
  307   2HG1  VAL  41          2HG1      VAL  41  -6.406  -4.734  -1.708
  308   3HG1  VAL  41          3HG1      VAL  41  -7.354  -5.304  -0.334
  309   1HG2  VAL  41          1HG2      VAL  41  -6.349  -3.136   1.977
  310   2HG2  VAL  41          2HG2      VAL  41  -5.633  -4.720   2.244
  311   3HG2  VAL  41          3HG2      VAL  41  -7.247  -4.589   1.555
  312    H    LEU  42           H        LEU  42  -2.732  -2.937  -1.251
  313    HA   LEU  42           HA       LEU  42  -1.700  -1.322   0.948
  314   1HB   LEU  42          2HB       LEU  42  -0.041  -2.421  -0.425
  315   2HB   LEU  42          1HB       LEU  42  -0.731  -1.721  -1.874
  316    HG   LEU  42           HG       LEU  42  -0.062   0.520  -1.128
  317   1HD1  LEU  42          1HD1      LEU  42   0.132   0.791   1.066
  318   2HD1  LEU  42          2HD1      LEU  42   1.744   0.111   0.893
  319   3HD1  LEU  42          3HD1      LEU  42   0.394  -0.923   1.358
  320   1HD2  LEU  42          1HD2      LEU  42   1.463  -1.191  -2.353
  321   2HD2  LEU  42          2HD2      LEU  42   2.343  -1.238  -0.825
  322   3HD2  LEU  42          3HD2      LEU  42   2.172   0.285  -1.697
  323    H    SER  43           H        SER  43  -1.764   0.917   0.875
  324    HA   SER  43           HA       SER  43  -3.229   2.093  -1.337
  325   1HB   SER  43          2HB       SER  43  -4.950   2.835  -0.169
  326   2HB   SER  43          1HB       SER  43  -4.464   1.660   1.051
  327    HG   SER  43           HG       SER  43  -4.225   3.341   2.285
  328    H    VAL  44           H        VAL  44  -2.929   4.284  -1.676
  329    HA   VAL  44           HA       VAL  44  -0.742   5.515  -0.184
  330    HB   VAL  44           HB       VAL  44   0.174   4.140  -2.145
  331   1HG1  VAL  44          1HG1      VAL  44  -1.673   5.270  -3.649
  332   2HG1  VAL  44          2HG1      VAL  44  -0.096   4.833  -4.306
  333   3HG1  VAL  44          3HG1      VAL  44  -0.428   6.502  -3.846
  334   1HG2  VAL  44          1HG2      VAL  44   1.615   6.292  -2.804
  335   2HG2  VAL  44          2HG2      VAL  44   1.797   5.448  -1.267
  336   3HG2  VAL  44          3HG2      VAL  44   0.823   6.915  -1.357
  337    H    ARG  45           H        ARG  45  -0.758   7.734  -0.191
  338    HA   ARG  45           HA       ARG  45  -3.152   9.027  -1.012
  339   1HB   ARG  45          2HB       ARG  45  -1.698   9.753   0.920
  340   2HB   ARG  45          1HB       ARG  45  -0.530  10.336  -0.258
  341   1HG   ARG  45          2HG       ARG  45  -2.562  11.688  -1.178
  342   2HG   ARG  45          1HG       ARG  45  -3.219  11.411   0.436
  343   1HD   ARG  45          2HD       ARG  45  -0.570  12.196   0.837
  344   2HD   ARG  45          1HD       ARG  45  -1.181  13.259  -0.427
  345    HE   ARG  45           HE       ARG  45  -2.268  13.006   2.292
  346   1HH1  ARG  45          2HH1      ARG  45  -2.108  14.721  -0.754
  347   2HH1  ARG  45          1HH1      ARG  45  -2.953  16.106  -0.153
  348   1HH2  ARG  45          1HH2      ARG  45  -3.376  14.829   3.069
  349   2HH2  ARG  45          2HH2      ARG  45  -3.671  16.169   2.012
  350    H    ASP  46           H        ASP  46  -0.414   8.017  -2.622
  351    HA   ASP  46           HA       ASP  46   0.494   8.431  -4.664
  352   1HB   ASP  46          2HB       ASP  46  -1.509   7.642  -5.580
  353   2HB   ASP  46          1HB       ASP  46  -2.400   9.074  -5.090
  354    H    THR  47           H        THR  47  -1.719  11.049  -5.145
  355    HA   THR  47           HA       THR  47   0.452  12.985  -4.748
  356    HB   THR  47           HB       THR  47   0.139  12.442  -7.174
  357    HG1  THR  47           HG1      THR  47   0.166  14.602  -7.796
  358   1HG2  THR  47          1HG2      THR  47  -2.255  14.116  -7.376
  359   2HG2  THR  47          2HG2      THR  47  -2.522  12.497  -6.730
  360   3HG2  THR  47          3HG2      THR  47  -1.767  12.703  -8.310
  361    H    GLN  48           H        GLN  48  -2.639  12.071  -3.974
  362    HA   GLN  48           HA       GLN  48  -3.190  14.245  -2.341
  363   1HB   GLN  48          2HB       GLN  48  -3.941  14.656  -5.097
  364   2HB   GLN  48          1HB       GLN  48  -5.357  14.680  -4.054
  365   1HG   GLN  48          2HG       GLN  48  -4.388  16.427  -2.707
  366   2HG   GLN  48          1HG       GLN  48  -2.890  16.351  -3.631
  367   1HE2  GLN  48          1HE2      GLN  48  -6.368  16.876  -4.043
  368   2HE2  GLN  48          2HE2      GLN  48  -6.219  18.070  -5.283
  369    H    ALA  49           H        ALA  49  -5.500  12.722  -4.463
  370    HA   ALA  49           HA       ALA  49  -7.105  11.763  -2.323
  371   1HB   ALA  49          1HB       ALA  49  -8.039  10.329  -4.374
  372   2HB   ALA  49          2HB       ALA  49  -7.155  11.558  -5.279
  373   3HB   ALA  49          3HB       ALA  49  -8.427  12.036  -4.154
  374    H    VAL  50           H        VAL  50  -7.651   9.409  -2.036
  375    HA   VAL  50           HA       VAL  50  -5.164   7.927  -1.851
  376    HB   VAL  50           HB       VAL  50  -7.908   7.165  -0.839
  377   1HG1  VAL  50          1HG1      VAL  50  -6.533   5.590   0.598
  378   2HG1  VAL  50          2HG1      VAL  50  -5.187   5.917  -0.494
  379   3HG1  VAL  50          3HG1      VAL  50  -6.659   5.167  -1.110
  380   1HG2  VAL  50          1HG2      VAL  50  -6.742   7.695   1.384
  381   2HG2  VAL  50          2HG2      VAL  50  -7.276   9.048   0.387
  382   3HG2  VAL  50          3HG2      VAL  50  -5.576   8.579   0.403
  383    H    ARG  51           H        ARG  51  -4.831   5.864  -2.606
  384    HA   ARG  51           HA       ARG  51  -6.691   4.756  -4.559
  385   1HB   ARG  51          2HB       ARG  51  -3.802   4.903  -5.316
  386   2HB   ARG  51          1HB       ARG  51  -5.212   4.736  -6.350
  387   1HG   ARG  51          2HG       ARG  51  -5.787   7.118  -5.707
  388   2HG   ARG  51          1HG       ARG  51  -4.169   7.213  -5.011
  389   1HD   ARG  51          2HD       ARG  51  -3.812   8.036  -7.130
  390   2HD   ARG  51          1HD       ARG  51  -3.414   6.334  -7.337
  391    HE   ARG  51           HE       ARG  51  -5.754   7.722  -8.381
  392   1HH1  ARG  51          2HH1      ARG  51  -4.045   4.702  -7.950
  393   2HH1  ARG  51          1HH1      ARG  51  -4.934   3.884  -9.188
  394   1HH2  ARG  51          1HH2      ARG  51  -6.920   6.639 -10.006
  395   2HH2  ARG  51          2HH2      ARG  51  -6.562   4.980 -10.354
  396    H    HIS  52           H        HIS  52  -7.037   2.820  -3.692
  397    HA   HIS  52           HA       HIS  52  -4.989   1.510  -2.135
  398   1HB   HIS  52          2HB       HIS  52  -7.770   0.534  -2.859
  399   2HB   HIS  52          1HB       HIS  52  -6.735  -0.082  -1.567
  400    HD1  HIS  52           HD1      HIS  52  -6.277   1.544   0.424
  401    HD2  HIS  52           HD2      HIS  52  -9.231   2.789  -2.201
  402    HE1  HIS  52           HE1      HIS  52  -7.307   3.547   1.495
  403    HE2  HIS  52           HE2      HIS  52  -9.046   4.343  -0.142
  404    H    TYR  53           H        TYR  53  -4.695  -0.910  -2.456
  405    HA   TYR  53           HA       TYR  53  -4.821  -1.840  -5.201
  406   1HB   TYR  53          2HB       TYR  53  -2.117  -1.793  -3.905
  407   2HB   TYR  53          1HB       TYR  53  -2.521  -1.969  -5.607
  408    HD1  TYR  53           HD1      TYR  53  -1.619   0.330  -2.983
  409    HD2  TYR  53           HD2      TYR  53  -3.388   0.054  -6.843
  410    HE1  TYR  53           HE1      TYR  53  -1.194   2.724  -3.349
  411    HE2  TYR  53           HE2      TYR  53  -2.967   2.442  -7.219
  412    HH   TYR  53           HH       TYR  53  -2.327   4.370  -6.267
  413    H    LYS  54           H        LYS  54  -4.944  -4.020  -5.303
  414    HA   LYS  54           HA       LYS  54  -4.921  -5.510  -2.817
  415   1HB   LYS  54          2HB       LYS  54  -6.629  -5.742  -4.756
  416   2HB   LYS  54          1HB       LYS  54  -5.378  -6.694  -5.543
  417   1HG   LYS  54          2HG       LYS  54  -6.003  -7.447  -2.767
  418   2HG   LYS  54          1HG       LYS  54  -7.277  -7.731  -3.955
  419   1HD   LYS  54          2HD       LYS  54  -4.431  -8.719  -4.139
  420   2HD   LYS  54          1HD       LYS  54  -5.839  -9.692  -3.707
  421   1HE   LYS  54          2HE       LYS  54  -5.874 -10.186  -5.901
  422   2HE   LYS  54          1HE       LYS  54  -6.665  -8.617  -6.050
  423   1HZ   LYS  54          1HZ       LYS  54  -4.084  -9.449  -6.972
  424   2HZ   LYS  54          2HZ       LYS  54  -4.010  -8.015  -6.081
  425   3HZ   LYS  54          3HZ       LYS  54  -5.017  -8.116  -7.436
  426    H    ILE  55           H        ILE  55  -3.073  -6.345  -2.078
  427    HA   ILE  55           HA       ILE  55  -0.929  -6.991  -3.972
  428    HB   ILE  55           HB       ILE  55  -0.586  -7.209  -1.019
  429   1HG1  ILE  55          2HG1      ILE  55  -0.122  -4.543  -2.294
  430   2HG1  ILE  55          1HG1      ILE  55  -1.743  -4.949  -1.738
  431   1HG2  ILE  55          1HG2      ILE  55   1.509  -7.511  -1.629
  432   2HG2  ILE  55          2HG2      ILE  55   1.547  -5.870  -2.268
  433   3HG2  ILE  55          3HG2      ILE  55   1.089  -7.214  -3.315
  434   1HD1  ILE  55          1HD1      ILE  55  -0.256  -5.647   0.410
  435   2HD1  ILE  55          2HD1      ILE  55  -1.045  -4.086   0.191
  436   3HD1  ILE  55          3HD1      ILE  55   0.659  -4.279  -0.222
  437    H    TRP  56           H        TRP  56  -1.477  -8.945  -4.798
  438    HA   TRP  56           HA       TRP  56  -2.469 -11.069  -3.118
  439   1HB   TRP  56          2HB       TRP  56  -3.042 -10.476  -5.616
  440   2HB   TRP  56          1HB       TRP  56  -1.639 -11.475  -5.963
  441    HD1  TRP  56           HD1      TRP  56  -2.386 -13.591  -3.498
  442    HE1  TRP  56           HE1      TRP  56  -4.234 -15.311  -3.971
  443    HE3  TRP  56           HE3      TRP  56  -4.680 -11.256  -7.424
  444    HZ2  TRP  56           HZ2      TRP  56  -6.381 -15.641  -5.772
  445    HZ3  TRP  56           HZ3      TRP  56  -6.624 -12.343  -8.466
  446    HH2  TRP  56           HH2      TRP  56  -7.455 -14.491  -7.657
  447    H    ARG  57           H        ARG  57  -1.367 -12.708  -2.278
  448    HA   ARG  57           HA       ARG  57   1.515 -12.755  -2.543
  449   1HB   ARG  57          2HB       ARG  57   0.517 -13.024  -0.330
  450   2HB   ARG  57          1HB       ARG  57  -0.385 -14.428  -0.882
  451   1HG   ARG  57          2HG       ARG  57   1.949 -15.419  -1.403
  452   2HG   ARG  57          1HG       ARG  57   2.536 -14.163  -0.312
  453   1HD   ARG  57          2HD       ARG  57   2.170 -16.228   0.904
  454   2HD   ARG  57          1HD       ARG  57   1.027 -14.996   1.434
  455    HE   ARG  57           HE       ARG  57  -0.292 -16.384  -0.521
  456   1HH1  ARG  57          2HH1      ARG  57   1.242 -17.216   2.502
  457   2HH1  ARG  57          1HH1      ARG  57   0.185 -18.552   2.813
  458   1HH2  ARG  57          1HH2      ARG  57  -1.683 -18.139  -0.111
  459   2HH2  ARG  57          2HH2      ARG  57  -1.475 -19.076   1.331
  460    H    ARG  58           H        ARG  58   2.697 -14.663  -3.143
  461    HA   ARG  58           HA       ARG  58   1.378 -16.118  -5.287
  462   1HB   ARG  58          2HB       ARG  58   4.195 -15.589  -4.490
  463   2HB   ARG  58          1HB       ARG  58   3.865 -17.008  -5.471
  464   1HG   ARG  58          2HG       ARG  58   2.582 -15.358  -6.996
  465   2HG   ARG  58          1HG       ARG  58   3.509 -14.120  -6.145
  466   1HD   ARG  58          2HD       ARG  58   5.371 -14.608  -7.272
  467   2HD   ARG  58          1HD       ARG  58   5.171 -16.339  -7.001
  468    HE   ARG  58           HE       ARG  58   4.418 -14.846  -9.341
  469   1HH1  ARG  58          2HH1      ARG  58   3.826 -17.736  -7.476
  470   2HH1  ARG  58          1HH1      ARG  58   3.189 -18.623  -8.820
  471   1HH2  ARG  58          1HH2      ARG  58   3.580 -16.012 -11.110
  472   2HH2  ARG  58          2HH2      ARG  58   3.049 -17.644 -10.882
  473    H    ALA  59           H        ALA  59   0.726 -16.771  -2.503
  474    HA   ALA  59           HA       ALA  59   0.526 -18.553  -1.087
  475   1HB   ALA  59          1HB       ALA  59  -0.413 -19.225  -3.526
  476   2HB   ALA  59          2HB       ALA  59  -0.534 -20.259  -2.101
  477   3HB   ALA  59          3HB       ALA  59   0.765 -20.512  -3.268
  478    H    GLY  60           H        GLY  60   3.288 -17.689  -1.686
  479   1HA   GLY  60          2HA       GLY  60   4.655 -19.781  -0.345
  480   2HA   GLY  60          1HA       GLY  60   5.063 -19.794  -2.054
  481    H    GLY  61           H        GLY  61   4.333 -16.886  -0.226
  482   1HA   GLY  61          2HA       GLY  61   5.706 -15.185   0.529
  483   2HA   GLY  61          1HA       GLY  61   7.092 -16.223   0.236
  484    H    ARG  62           H        ARG  62   4.743 -14.108  -1.347
  485    HA   ARG  62           HA       ARG  62   6.582 -12.686  -2.837
  486   1HB   ARG  62          2HB       ARG  62   6.067 -15.272  -3.971
  487   2HB   ARG  62          1HB       ARG  62   5.460 -14.030  -5.056
  488   1HG   ARG  62          2HG       ARG  62   7.688 -12.927  -4.934
  489   2HG   ARG  62          1HG       ARG  62   8.264 -14.309  -4.002
  490   1HD   ARG  62          2HD       ARG  62   8.660 -15.419  -5.883
  491   2HD   ARG  62          1HD       ARG  62   6.955 -15.300  -6.319
  492    HE   ARG  62           HE       ARG  62   8.366 -12.900  -6.919
  493   1HH1  ARG  62          2HH1      ARG  62   7.769 -16.143  -8.062
  494   2HH1  ARG  62          1HH1      ARG  62   8.076 -15.750  -9.720
  495   1HH2  ARG  62          1HH2      ARG  62   8.769 -12.381  -9.101
  496   2HH2  ARG  62          2HH2      ARG  62   8.642 -13.614 -10.310
  497    H    LEU  63           H        LEU  63   5.377 -10.939  -2.549
  498    HA   LEU  63           HA       LEU  63   2.535 -10.922  -3.081
  499   1HB   LEU  63          2HB       LEU  63   4.505  -8.941  -2.005
  500   2HB   LEU  63          1HB       LEU  63   2.929  -8.400  -2.552
  501    HG   LEU  63           HG       LEU  63   2.934  -8.747  -0.145
  502   1HD1  LEU  63          1HD1      LEU  63   0.865  -9.662  -0.088
  503   2HD1  LEU  63          2HD1      LEU  63   1.338 -11.064  -1.049
  504   3HD1  LEU  63          3HD1      LEU  63   1.016  -9.520  -1.840
  505   1HD2  LEU  63          1HD2      LEU  63   4.630 -10.829  -0.654
  506   2HD2  LEU  63          2HD2      LEU  63   3.126 -11.664  -0.268
  507   3HD2  LEU  63          3HD2      LEU  63   3.824 -10.527   0.886
  508    H    HIS  64           H        HIS  64   1.507  -9.669  -4.649
  509    HA   HIS  64           HA       HIS  64   3.066  -8.198  -6.565
  510   1HB   HIS  64          2HB       HIS  64   2.446  -9.504  -8.512
  511   2HB   HIS  64          1HB       HIS  64   3.309 -10.525  -7.369
  512    HD1  HIS  64           HD1      HIS  64   0.016 -10.085  -9.031
  513    HD2  HIS  64           HD2      HIS  64   1.730 -12.533  -6.143
  514    HE1  HIS  64           HE1      HIS  64  -1.589 -11.999  -8.731
  515    HE2  HIS  64           HE2      HIS  64  -0.565 -13.430  -6.929
  516    H    LEU  65           H        LEU  65   1.862  -6.394  -6.293
  517    HA   LEU  65           HA       LEU  65  -0.946  -6.392  -6.016
  518   1HB   LEU  65          2HB       LEU  65   0.981  -4.212  -6.795
  519   2HB   LEU  65          1HB       LEU  65  -0.733  -3.934  -6.551
  520    HG   LEU  65           HG       LEU  65  -0.304  -4.985  -4.205
  521   1HD1  LEU  65          1HD1      LEU  65   1.889  -5.764  -4.380
  522   2HD1  LEU  65          2HD1      LEU  65   2.024  -4.275  -3.445
  523   3HD1  LEU  65          3HD1      LEU  65   2.451  -4.284  -5.154
  524   1HD2  LEU  65          1HD2      LEU  65  -0.516  -2.416  -5.160
  525   2HD2  LEU  65          2HD2      LEU  65   0.960  -2.361  -4.198
  526   3HD2  LEU  65          3HD2      LEU  65  -0.551  -2.894  -3.464
  527    H    ASN  66           H        ASN  66   1.155  -6.575  -8.682
  528    HA   ASN  66           HA       ASN  66  -1.105  -6.634 -10.527
  529   1HB   ASN  66          2HB       ASN  66   0.790  -4.514 -10.428
  530   2HB   ASN  66          1HB       ASN  66   1.108  -5.440 -11.892
  531   1HD2  ASN  66          1HD2      ASN  66  -1.480  -3.874 -10.072
  532   2HD2  ASN  66          2HD2      ASN  66  -2.422  -3.432 -11.450
  533    H    GLU  67           H        GLU  67  -0.235  -7.413 -12.771
  534    HA   GLU  67           HA       GLU  67   1.085  -9.919 -12.271
  535   1HB   GLU  67          2HB       GLU  67   0.718 -10.283 -14.719
  536   2HB   GLU  67          1HB       GLU  67  -0.744  -9.939 -13.806
  537   1HG   GLU  67          2HG       GLU  67   0.327  -7.482 -14.755
  538   2HG   GLU  67          1HG       GLU  67   0.258  -8.623 -16.096
  539    H    ALA  68           H        ALA  68   2.594  -7.244 -12.137
  540    HA   ALA  68           HA       ALA  68   4.924  -8.222 -13.576
  541   1HB   ALA  68          1HB       ALA  68   3.464  -5.737 -14.248
  542   2HB   ALA  68          2HB       ALA  68   4.387  -6.827 -15.281
  543   3HB   ALA  68          3HB       ALA  68   5.226  -5.666 -14.252
  544    H    VAL  69           H        VAL  69   3.845  -7.511 -10.704
  545    HA   VAL  69           HA       VAL  69   6.385  -6.283  -9.878
  546    HB   VAL  69           HB       VAL  69   5.288  -4.869  -8.235
  547   1HG1  VAL  69          1HG1      VAL  69   3.743  -4.122 -10.628
  548   2HG1  VAL  69          2HG1      VAL  69   5.471  -4.370 -10.875
  549   3HG1  VAL  69          3HG1      VAL  69   4.911  -3.191  -9.689
  550   1HG2  VAL  69          1HG2      VAL  69   3.155  -5.065  -7.607
  551   2HG2  VAL  69          2HG2      VAL  69   3.128  -6.569  -8.530
  552   3HG2  VAL  69          3HG2      VAL  69   2.581  -5.067  -9.275
  553    H    SER  70           H        SER  70   6.372  -8.849  -9.675
  554    HA   SER  70           HA       SER  70   5.180  -9.769  -7.201
  555   1HB   SER  70          2HB       SER  70   7.089 -11.242  -9.024
  556   2HB   SER  70          1HB       SER  70   6.056 -11.944  -7.780
  557    HG   SER  70           HG       SER  70   5.037 -10.493  -9.987
  558    H    PHE  71           H        PHE  71   6.173  -9.993  -5.277
  559    HA   PHE  71           HA       PHE  71   9.062 -10.017  -5.066
  560   1HB   PHE  71          2HB       PHE  71   7.622  -7.571  -4.766
  561   2HB   PHE  71          1HB       PHE  71   8.252  -8.044  -3.189
  562    HD1  PHE  71           HD1      PHE  71  10.737  -8.698  -3.084
  563    HD2  PHE  71           HD2      PHE  71   9.005  -6.514  -6.298
  564    HE1  PHE  71           HE1      PHE  71  12.968  -7.883  -3.724
  565    HE2  PHE  71           HE2      PHE  71  11.233  -5.693  -6.944
  566    HZ   PHE  71           HZ       PHE  71  13.218  -6.377  -5.658
  567    H    LEU  72           H        LEU  72   9.601 -11.407  -3.671
  568    HA   LEU  72           HA       LEU  72   8.461 -13.223  -2.272
  569   1HB   LEU  72          2HB       LEU  72  10.138 -12.841  -0.387
  570   2HB   LEU  72          1HB       LEU  72  10.761 -13.040  -2.016
  571    HG   LEU  72           HG       LEU  72  10.589 -10.390  -2.027
  572   1HD1  LEU  72          1HD1      LEU  72  10.134  -9.482  -0.050
  573   2HD1  LEU  72          2HD1      LEU  72  11.586 -10.225   0.617
  574   3HD1  LEU  72          3HD1      LEU  72  10.044 -11.075   0.697
  575   1HD2  LEU  72          1HD2      LEU  72  12.849 -10.415  -1.967
  576   2HD2  LEU  72          2HD2      LEU  72  12.604 -12.160  -2.021
  577   3HD2  LEU  72          3HD2      LEU  72  12.915 -11.361  -0.479
  578    H    SER  73           H        SER  73   8.477  -9.904  -0.953
  579    HA   SER  73           HA       SER  73   6.130 -10.563   0.614
  580   1HB   SER  73          2HB       SER  73   8.056 -11.148   2.073
  581   2HB   SER  73          1HB       SER  73   8.607  -9.478   1.961
  582    HG   SER  73           HG       SER  73   6.484 -10.563   3.377
  583    H    LEU  74           H        LEU  74   5.827  -8.436   2.171
  584    HA   LEU  74           HA       LEU  74   5.037  -6.410   0.367
  585   1HB   LEU  74          2HB       LEU  74   5.016  -6.731   3.314
  586   2HB   LEU  74          1HB       LEU  74   4.740  -5.137   2.630
  587    HG   LEU  74           HG       LEU  74   3.136  -7.614   2.027
  588   1HD1  LEU  74          1HD1      LEU  74   2.425  -5.119   3.542
  589   2HD1  LEU  74          2HD1      LEU  74   2.809  -6.676   4.270
  590   3HD1  LEU  74          3HD1      LEU  74   1.380  -6.507   3.250
  591   1HD2  LEU  74          1HD2      LEU  74   1.647  -5.904   0.884
  592   2HD2  LEU  74          2HD2      LEU  74   3.154  -6.298   0.058
  593   3HD2  LEU  74          3HD2      LEU  74   3.017  -4.795   0.970
  594    HA   PRO  75           HA       PRO  75   8.450  -3.685   2.783
  595   1HB   PRO  75          2HB       PRO  75  10.569  -5.549   3.242
  596   2HB   PRO  75          1HB       PRO  75   9.661  -4.629   4.442
  597   1HG   PRO  75          2HG       PRO  75   9.307  -7.425   3.545
  598   2HG   PRO  75          1HG       PRO  75   8.893  -6.677   5.098
  599   1HD   PRO  75          2HD       PRO  75   7.007  -7.365   3.317
  600   2HD   PRO  75          1HD       PRO  75   6.847  -5.909   4.320
  601    H    GLU  76           H        GLU  76   9.127  -6.544   0.835
  602    HA   GLU  76           HA       GLU  76  11.068  -5.063  -0.756
  603   1HB   GLU  76          2HB       GLU  76  10.167  -7.916  -1.147
  604   2HB   GLU  76          1HB       GLU  76  11.611  -7.149  -1.793
  605   1HG   GLU  76          2HG       GLU  76  11.041  -7.889   1.059
  606   2HG   GLU  76          1HG       GLU  76  12.292  -8.533  -0.003
  607    H    LEU  77           H        LEU  77   7.763  -6.194  -0.864
  608    HA   LEU  77           HA       LEU  77   7.438  -5.936  -3.687
  609   1HB   LEU  77          2HB       LEU  77   5.785  -7.247  -2.770
  610   2HB   LEU  77          1HB       LEU  77   5.644  -6.254  -1.337
  611    HG   LEU  77           HG       LEU  77   3.659  -6.300  -2.932
  612   1HD1  LEU  77          1HD1      LEU  77   4.083  -3.486  -2.767
  613   2HD1  LEU  77          2HD1      LEU  77   4.750  -4.252  -1.326
  614   3HD1  LEU  77          3HD1      LEU  77   3.064  -4.519  -1.765
  615   1HD2  LEU  77          1HD2      LEU  77   5.662  -5.467  -4.758
  616   2HD2  LEU  77          2HD2      LEU  77   4.524  -4.135  -4.561
  617   3HD2  LEU  77          3HD2      LEU  77   3.944  -5.725  -5.054
  618    H    VAL  78           H        VAL  78   6.965  -3.803  -0.919
  619    HA   VAL  78           HA       VAL  78   5.903  -1.638  -2.451
  620    HB   VAL  78           HB       VAL  78   7.066  -1.732   0.338
  621   1HG1  VAL  78          1HG1      VAL  78   6.757   0.549  -1.265
  622   2HG1  VAL  78          2HG1      VAL  78   7.041   0.485   0.472
  623   3HG1  VAL  78          3HG1      VAL  78   5.394   0.553  -0.150
  624   1HG2  VAL  78          1HG2      VAL  78   4.477  -2.326  -0.789
  625   2HG2  VAL  78          2HG2      VAL  78   4.365  -1.027   0.398
  626   3HG2  VAL  78          3HG2      VAL  78   5.072  -2.577   0.851
  627    H    ASN  79           H        ASN  79   9.107  -2.560  -1.270
  628    HA   ASN  79           HA       ASN  79  10.556  -0.273  -1.776
  629   1HB   ASN  79          2HB       ASN  79  11.460  -2.373  -0.770
  630   2HB   ASN  79          1HB       ASN  79  11.484  -3.091  -2.378
  631   1HD2  ASN  79          1HD2      ASN  79  13.098  -2.588  -3.771
  632   2HD2  ASN  79          2HD2      ASN  79  14.440  -1.578  -3.364
  633    H    TYR  80           H        TYR  80   9.627  -2.821  -4.051
  634    HA   TYR  80           HA       TYR  80  10.913  -1.642  -6.303
  635   1HB   TYR  80          2HB       TYR  80  10.378  -4.033  -6.236
  636   2HB   TYR  80          1HB       TYR  80   8.659  -3.660  -6.172
  637    HD1  TYR  80           HD1      TYR  80   7.649  -4.293  -8.150
  638    HD2  TYR  80           HD2      TYR  80  11.459  -2.408  -8.310
  639    HE1  TYR  80           HE1      TYR  80   7.555  -4.322 -10.607
  640    HE2  TYR  80           HE2      TYR  80  11.375  -2.430 -10.767
  641    HH   TYR  80           HH       TYR  80  10.205  -3.802 -12.556
  642    H    HIS  81           H        HIS  81   7.766  -1.368  -4.815
  643    HA   HIS  81           HA       HIS  81   6.417  -0.088  -6.932
  644   1HB   HIS  81          2HB       HIS  81   5.943  -0.596  -4.093
  645   2HB   HIS  81          1HB       HIS  81   5.280   0.941  -4.631
  646    HD1  HIS  81           HD1      HIS  81   4.520  -0.105  -7.527
  647    HD2  HIS  81           HD2      HIS  81   3.478  -1.874  -3.915
  648    HE1  HIS  81           HE1      HIS  81   2.492  -1.498  -8.027
  649    HE2  HIS  81           HE2      HIS  81   1.939  -2.637  -5.855
  650    H    ARG  82           H        ARG  82   8.560   1.084  -4.407
  651    HA   ARG  82           HA       ARG  82   7.996   3.828  -4.865
  652   1HB   ARG  82          2HB       ARG  82   8.907   3.124  -2.721
  653   2HB   ARG  82          1HB       ARG  82  10.364   2.545  -3.517
  654   1HG   ARG  82          2HG       ARG  82  10.918   4.817  -4.194
  655   2HG   ARG  82          1HG       ARG  82   9.442   5.411  -3.430
  656   1HD   ARG  82          2HD       ARG  82  10.254   5.090  -1.302
  657   2HD   ARG  82          1HD       ARG  82  11.367   3.819  -1.804
  658    HE   ARG  82           HE       ARG  82  12.346   6.036  -3.019
  659   1HH1  ARG  82          2HH1      ARG  82  11.501   5.275   0.281
  660   2HH1  ARG  82          1HH1      ARG  82  12.685   6.342   0.961
  661   1HH2  ARG  82          1HH2      ARG  82  13.903   7.438  -2.125
  662   2HH2  ARG  82          2HH2      ARG  82  14.048   7.569  -0.404
  663    H    ALA  83           H        ALA  83  10.253   1.559  -6.130
  664    HA   ALA  83           HA       ALA  83  11.832   3.500  -7.528
  665   1HB   ALA  83          1HB       ALA  83  11.726   0.557  -7.346
  666   2HB   ALA  83          2HB       ALA  83  13.116   1.640  -7.384
  667   3HB   ALA  83          3HB       ALA  83  12.299   1.202  -8.884
  668    H    GLN  84           H        GLN  84   9.694   0.931  -8.694
  669    HA   GLN  84           HA       GLN  84   9.044   2.553 -11.041
  670   1HB   GLN  84          2HB       GLN  84   9.066  -0.357 -10.455
  671   2HB   GLN  84          1HB       GLN  84   7.822   0.215 -11.559
  672   1HG   GLN  84          2HG       GLN  84   9.395  -0.126 -13.113
  673   2HG   GLN  84          1HG       GLN  84   9.989   1.448 -12.585
  674   1HE2  GLN  84          1HE2      GLN  84  11.096  -1.346 -13.515
  675   2HE2  GLN  84          2HE2      GLN  84  12.464  -1.552 -12.480
  676    H    SER  85           H        SER  85   7.004   3.276 -11.468
  677    HA   SER  85           HA       SER  85   5.059   3.004  -9.293
  678   1HB   SER  85          2HB       SER  85   3.898   4.766 -10.995
  679   2HB   SER  85          1HB       SER  85   5.038   5.241  -9.736
  680    HG   SER  85           HG       SER  85   5.777   6.132 -11.611
  681    H    LEU  86           H        LEU  86   5.470   0.734 -10.871
  682    HA   LEU  86           HA       LEU  86   3.835   0.375 -13.068
  683   1HB   LEU  86          2HB       LEU  86   5.433  -1.228 -11.447
  684   2HB   LEU  86          1HB       LEU  86   3.844  -1.962 -11.352
  685    HG   LEU  86           HG       LEU  86   5.076  -3.017 -13.122
  686   1HD1  LEU  86          1HD1      LEU  86   3.203  -1.157 -14.541
  687   2HD1  LEU  86          2HD1      LEU  86   2.611  -2.372 -13.409
  688   3HD1  LEU  86          3HD1      LEU  86   3.512  -2.868 -14.842
  689   1HD2  LEU  86          1HD2      LEU  86   6.740  -1.702 -13.911
  690   2HD2  LEU  86          2HD2      LEU  86   5.780  -0.227 -13.797
  691   3HD2  LEU  86          3HD2      LEU  86   5.539  -1.335 -15.149
  692    H    SER  87           H        SER  87   1.764   0.815 -13.252
  693    HA   SER  87           HA       SER  87  -0.431   1.193 -12.699
  694   1HB   SER  87          2HB       SER  87  -0.173  -1.263 -13.334
  695   2HB   SER  87          1HB       SER  87  -0.279  -1.613 -11.609
  696    HG   SER  87           HG       SER  87  -2.243  -0.881 -13.378
  697    H    HIS  88           H        HIS  88   1.363   2.028 -10.559
  698    HA   HIS  88           HA       HIS  88  -0.524   1.732  -8.326
  699   1HB   HIS  88          2HB       HIS  88   1.448   0.380  -7.825
  700   2HB   HIS  88          1HB       HIS  88   2.492   1.770  -8.103
  701    HD1  HIS  88           HD1      HIS  88   1.412  -0.065  -5.406
  702    HD2  HIS  88           HD2      HIS  88   1.272   4.005  -6.223
  703    HE1  HIS  88           HE1      HIS  88   1.180   1.063  -3.172
  704    HE2  HIS  88           HE2      HIS  88   1.191   3.527  -3.685
  705    H    GLY  89           H        GLY  89  -1.353   3.555  -7.697
  706   1HA   GLY  89          2HA       GLY  89  -0.838   6.027  -8.808
  707   2HA   GLY  89          1HA       GLY  89  -1.656   5.785  -7.278
  708    H    LEU  90           H        LEU  90   1.407   6.380  -8.819
  709    HA   LEU  90           HA       LEU  90   3.198   7.615  -8.129
  710   1HB   LEU  90          2HB       LEU  90   1.177   8.478  -6.426
  711   2HB   LEU  90          1HB       LEU  90   2.481   8.033  -5.344
  712    HG   LEU  90           HG       LEU  90   3.619   9.549  -7.445
  713   1HD1  LEU  90          1HD1      LEU  90   2.003  11.593  -6.390
  714   2HD1  LEU  90          2HD1      LEU  90   0.920  10.332  -6.973
  715   3HD1  LEU  90          3HD1      LEU  90   2.110  11.040  -8.061
  716   1HD2  LEU  90          1HD2      LEU  90   3.691  11.213  -5.349
  717   2HD2  LEU  90          2HD2      LEU  90   4.742   9.804  -5.499
  718   3HD2  LEU  90          3HD2      LEU  90   3.278   9.712  -4.518
  719    H    ARG  91           H        ARG  91   5.155   7.094  -7.287
  720    HA   ARG  91           HA       ARG  91   5.513   4.453  -6.331
  721   1HB   ARG  91          2HB       ARG  91   7.306   6.802  -6.799
  722   2HB   ARG  91          1HB       ARG  91   7.918   5.414  -5.915
  723   1HG   ARG  91          2HG       ARG  91   8.014   4.116  -7.750
  724   2HG   ARG  91          1HG       ARG  91   6.552   4.813  -8.449
  725   1HD   ARG  91          2HD       ARG  91   8.703   5.293  -9.679
  726   2HD   ARG  91          1HD       ARG  91   7.721   6.696  -9.261
  727    HE   ARG  91           HE       ARG  91   9.656   6.177  -7.255
  728   1HH1  ARG  91          2HH1      ARG  91   9.294   7.508 -10.461
  729   2HH1  ARG  91          1HH1      ARG  91  10.659   8.563 -10.313
  730   1HH2  ARG  91          1HH2      ARG  91  11.452   7.565  -7.058
  731   2HH2  ARG  91          2HH2      ARG  91  11.883   8.596  -8.382
  732    H    LEU  92           H        LEU  92   5.616   3.669  -4.328
  733    HA   LEU  92           HA       LEU  92   4.752   5.012  -2.079
  734   1HB   LEU  92          2HB       LEU  92   6.368   2.544  -2.496
  735   2HB   LEU  92          1HB       LEU  92   6.156   3.155  -0.869
  736    HG   LEU  92           HG       LEU  92   4.126   2.250  -0.720
  737   1HD1  LEU  92          1HD1      LEU  92   2.290   2.689  -2.218
  738   2HD1  LEU  92          2HD1      LEU  92   3.399   3.316  -3.436
  739   3HD1  LEU  92          3HD1      LEU  92   3.180   4.178  -1.914
  740   1HD2  LEU  92          1HD2      LEU  92   3.803   0.989  -3.264
  741   2HD2  LEU  92          2HD2      LEU  92   4.106   0.277  -1.679
  742   3HD2  LEU  92          3HD2      LEU  92   5.456   0.810  -2.676
  743    H    ALA  93           H        ALA  93   5.633   6.947  -1.557
  744    HA   ALA  93           HA       ALA  93   8.506   7.311  -1.480
  745   1HB   ALA  93          1HB       ALA  93   7.940   9.643  -0.854
  746   2HB   ALA  93          2HB       ALA  93   6.235   9.197  -0.885
  747   3HB   ALA  93          3HB       ALA  93   7.195   9.113  -2.361
  748    H    ALA  94           H        ALA  94   6.166   8.451   0.950
  749    HA   ALA  94           HA       ALA  94   7.953   7.358   3.031
  750   1HB   ALA  94          1HB       ALA  94   7.856   9.289   4.171
  751   2HB   ALA  94          2HB       ALA  94   6.141   9.522   3.827
  752   3HB   ALA  94          3HB       ALA  94   7.351   9.978   2.629
  753    HA   PRO  95           HA       PRO  95   4.551   5.131   4.792
  754   1HB   PRO  95          2HB       PRO  95   4.861   5.414   7.446
  755   2HB   PRO  95          1HB       PRO  95   6.027   4.524   6.465
  756   1HG   PRO  95          2HG       PRO  95   6.184   7.326   7.503
  757   2HG   PRO  95          1HG       PRO  95   7.440   6.075   7.470
  758   1HD   PRO  95          2HD       PRO  95   7.273   8.088   5.634
  759   2HD   PRO  95          1HD       PRO  95   7.972   6.497   5.277
  760    H    CYS  96           H        CYS  96   2.492   5.268   5.788
  761    HA   CYS  96           HA       CYS  96   1.179   7.736   5.499
  762   1HB   CYS  96          2HB       CYS  96   0.381   5.118   5.773
  763   2HB   CYS  96          1HB       CYS  96  -0.148   5.830   7.293
  764    HG   CYS  96           HG       CYS  96  -1.748   7.349   6.032
  765    H    ARG  97           H        ARG  97  -0.476   7.977   7.731
  766    HA   ARG  97           HA       ARG  97   0.967   8.134  10.165
  767   1HB   ARG  97          2HB       ARG  97   1.544  10.201   8.369
  768   2HB   ARG  97          1HB       ARG  97   0.419  10.905   9.519
  769   1HG   ARG  97          2HG       ARG  97   1.998   9.804  11.287
  770   2HG   ARG  97          1HG       ARG  97   3.161   9.835   9.961
  771   1HD   ARG  97          2HD       ARG  97   2.694  12.266   9.695
  772   2HD   ARG  97          1HD       ARG  97   1.680  12.184  11.135
  773    HE   ARG  97           HE       ARG  97   4.042  11.180  11.985
  774   1HH1  ARG  97          2HH1      ARG  97   3.161  14.113  10.314
  775   2HH1  ARG  97          1HH1      ARG  97   4.455  15.040  10.996
  776   1HH2  ARG  97          1HH2      ARG  97   5.745  12.397  12.885
  777   2HH2  ARG  97          2HH2      ARG  97   5.921  14.066  12.455
  778    H    LYS  98           H        LYS  98  -0.296   8.958  11.905
  779    HA   LYS  98           HA       LYS  98  -2.917  10.014  11.484
  780   1HB   LYS  98          2HB       LYS  98  -3.181   7.559  10.929
  781   2HB   LYS  98          1HB       LYS  98  -2.789   7.215  12.608
  782   1HG   LYS  98          2HG       LYS  98  -4.770   8.095  13.392
  783   2HG   LYS  98          1HG       LYS  98  -5.009   9.100  11.963
  784   1HD   LYS  98          2HD       LYS  98  -5.433   7.061  10.637
  785   2HD   LYS  98          1HD       LYS  98  -5.266   6.097  12.106
  786   1HE   LYS  98          2HE       LYS  98  -7.582   6.392  11.807
  787   2HE   LYS  98          1HE       LYS  98  -7.122   7.522  13.081
  788   1HZ   LYS  98          1HZ       LYS  98  -7.025   9.275  11.370
  789   2HZ   LYS  98          2HZ       LYS  98  -8.572   8.614  11.541
  790   3HZ   LYS  98          3HZ       LYS  98  -7.605   8.173  10.224
  791    H    HIS  99           H        HIS  99  -4.134  10.170  13.596
  792    HA   HIS  99           HA       HIS  99  -4.256  10.754  15.793
  793   1HB   HIS  99          2HB       HIS  99  -2.786   8.497  15.879
  794   2HB   HIS  99          1HB       HIS  99  -1.602   9.638  16.509
  795    HD1  HIS  99           HD1      HIS  99  -5.333   9.535  17.206
  796    HD2  HIS  99           HD2      HIS  99  -1.699   9.138  19.179
  797    HE1  HIS  99           HE1      HIS  99  -5.910   9.344  19.647
  798    HE2  HIS  99           HE2      HIS  99  -3.690   9.191  20.828
  799    H    GLU 100           HN       GLU 100  -3.921  12.720  16.601
  800    HA   GLU 100           HA       GLU 100  -1.325  14.017  16.089
  801   1HB   GLU 100          2HB       GLU 100  -4.044  15.341  16.087
  802   2HB   GLU 100          1HB       GLU 100  -2.503  16.145  15.818
  803   1HG   GLU 100          2HG       GLU 100  -2.667  15.737  13.657
  804   2HG   GLU 100          1HG       GLU 100  -2.672  14.004  13.981
  Start of MODEL   10
    1   1H    SER   1          1H        SER   1   8.559   6.043   2.903
    2   2H    SER   1          2H        SER   1   9.723   7.184   3.441
    3   3H    SER   1          3H        SER   1   8.706   6.392   4.574
    4    HA   SER   1           HA       SER   1  10.952   5.332   3.030
    5   1HB   SER   1          2HB       SER   1  11.709   4.650   5.237
    6   2HB   SER   1          1HB       SER   1  11.273   6.359   5.284
    7    HG   SER   1           HG       SER   1   9.754   5.914   6.666
    8    H    GLU   2           H        GLU   2   8.482   4.176   5.332
    9    HA   GLU   2           HA       GLU   2   8.075   1.826   3.626
   10   1HB   GLU   2          2HB       GLU   2   9.590   1.671   5.889
   11   2HB   GLU   2          1HB       GLU   2   7.995   1.287   6.521
   12   1HG   GLU   2          2HG       GLU   2   8.365  -0.799   5.879
   13   2HG   GLU   2          1HG       GLU   2   8.176  -0.233   4.221
   14    HA   PRO   3           HA       PRO   3   3.817   3.050   4.225
   15   1HB   PRO   3          2HB       PRO   3   2.728   0.605   3.506
   16   2HB   PRO   3          1HB       PRO   3   3.171   1.889   2.382
   17   1HG   PRO   3          2HG       PRO   3   4.668  -0.579   3.126
   18   2HG   PRO   3          1HG       PRO   3   4.521   0.219   1.551
   19   1HD   PRO   3          2HD       PRO   3   6.735   0.450   3.057
   20   2HD   PRO   3          1HD       PRO   3   6.147   1.786   2.049
   21    H    TRP   4           H        TRP   4   2.845   3.137   6.167
   22    HA   TRP   4           HA       TRP   4   3.456   1.442   8.309
   23   1HB   TRP   4          2HB       TRP   4   2.067   3.816   7.993
   24   2HB   TRP   4          1HB       TRP   4   0.827   2.691   8.538
   25    HD1  TRP   4           HD1      TRP   4   3.603   4.816   9.809
   26    HE1  TRP   4           HE1      TRP   4   3.973   4.387  12.320
   27    HE3  TRP   4           HE3      TRP   4   0.760   0.603  10.340
   28    HZ2  TRP   4           HZ2      TRP   4   3.166   2.511  14.268
   29    HZ3  TRP   4           HZ3      TRP   4   0.611  -0.449  12.559
   30    HH2  TRP   4           HH2      TRP   4   1.790   0.486  14.482
   31    H    PHE   5           H        PHE   5   3.029  -0.656   8.387
   32    HA   PHE   5           HA       PHE   5   0.909  -1.900   6.945
   33   1HB   PHE   5          2HB       PHE   5   2.792  -2.894   9.088
   34   2HB   PHE   5          1HB       PHE   5   1.578  -3.923   8.338
   35    HD1  PHE   5           HD1      PHE   5   2.121  -5.119   6.451
   36    HD2  PHE   5           HD2      PHE   5   4.414  -1.677   7.452
   37    HE1  PHE   5           HE1      PHE   5   3.683  -5.631   4.621
   38    HE2  PHE   5           HE2      PHE   5   5.978  -2.180   5.622
   39    HZ   PHE   5           HZ       PHE   5   5.614  -4.160   4.204
   40    H    PHE   6           H        PHE   6  -1.136  -2.226   7.520
   41    HA   PHE   6           HA       PHE   6  -1.878  -2.343  10.331
   42   1HB   PHE   6          2HB       PHE   6  -2.397  -0.047   8.604
   43   2HB   PHE   6          1HB       PHE   6  -3.864  -0.717   9.303
   44    HD1  PHE   6           HD1      PHE   6  -1.373   1.628   9.770
   45    HD2  PHE   6           HD2      PHE   6  -3.580  -1.314  11.911
   46    HE1  PHE   6           HE1      PHE   6  -0.902   2.812  11.874
   47    HE2  PHE   6           HE2      PHE   6  -3.113  -0.134  14.019
   48    HZ   PHE   6           HZ       PHE   6  -1.773   1.931  14.003
   49    H    GLY   7           H        GLY   7  -2.545  -4.455  10.056
   50   1HA   GLY   7          2HA       GLY   7  -4.300  -5.178   7.887
   51   2HA   GLY   7          1HA       GLY   7  -3.745  -6.231   9.178
   52    H    CYS   8           H        CYS   8  -4.994  -3.314  10.365
   53    HA   CYS   8           HA       CYS   8  -7.575  -4.612  10.832
   54   1HB   CYS   8          2HB       CYS   8  -5.709  -3.275  12.709
   55   2HB   CYS   8          1HB       CYS   8  -7.428  -3.010  12.975
   56    HG   CYS   8           HG       CYS   8  -7.591  -5.714  13.085
   57    H    ILE   9           H        ILE   9  -6.123  -2.044   9.323
   58    HA   ILE   9           HA       ILE   9  -8.130  -0.051   9.906
   59    HB   ILE   9           HB       ILE   9  -7.024   1.338   8.247
   60   1HG1  ILE   9          2HG1      ILE   9  -4.703  -0.125   7.588
   61   2HG1  ILE   9          1HG1      ILE   9  -6.065  -1.195   7.266
   62   1HG2  ILE   9          1HG2      ILE   9  -4.613   1.124   9.250
   63   2HG2  ILE   9          2HG2      ILE   9  -5.405  -0.011  10.342
   64   3HG2  ILE   9          3HG2      ILE   9  -5.968   1.659  10.245
   65   1HD1  ILE   9          1HD1      ILE   9  -5.160   0.463   5.452
   66   2HD1  ILE   9          2HD1      ILE   9  -6.210   1.602   6.292
   67   3HD1  ILE   9          3HD1      ILE   9  -6.882   0.124   5.604
   68    H    SER  10           H        SER  10  -9.955   0.335   8.809
   69    HA   SER  10           HA       SER  10 -10.685  -1.472   6.665
   70   1HB   SER  10          2HB       SER  10 -12.897  -0.191   6.821
   71   2HB   SER  10          1HB       SER  10 -12.421  -1.117   8.244
   72    HG   SER  10           HG       SER  10 -13.120   0.993   8.785
   73    H    ARG  11           H        ARG  11 -11.894  -0.484   4.748
   74    HA   ARG  11           HA       ARG  11 -10.145   1.059   3.246
   75   1HB   ARG  11          2HB       ARG  11 -12.396  -0.354   2.692
   76   2HB   ARG  11          1HB       ARG  11 -12.986   1.291   2.503
   77   1HG   ARG  11          2HG       ARG  11 -12.224   1.126   0.415
   78   2HG   ARG  11          1HG       ARG  11 -10.629   1.372   1.127
   79   1HD   ARG  11          2HD       ARG  11 -10.063  -0.588   0.228
   80   2HD   ARG  11          1HD       ARG  11 -11.087  -1.336   1.453
   81    HE   ARG  11           HE       ARG  11 -12.638  -1.807  -0.169
   82   1HH1  ARG  11          2HH1      ARG  11 -10.317   0.472  -1.436
   83   2HH1  ARG  11          1HH1      ARG  11 -10.896   0.347  -3.063
   84   1HH2  ARG  11          1HH2      ARG  11 -13.401  -1.970  -2.308
   85   2HH2  ARG  11          2HH2      ARG  11 -12.647  -1.038  -3.558
   86    H    SER  12           H        SER  12 -12.537   2.010   5.495
   87    HA   SER  12           HA       SER  12 -12.822   4.713   4.600
   88   1HB   SER  12          2HB       SER  12 -13.930   5.046   6.830
   89   2HB   SER  12          1HB       SER  12 -14.624   3.739   5.870
   90    HG   SER  12           HG       SER  12 -13.087   3.622   8.205
   91    H    GLU  13           H        GLU  13 -10.780   3.035   6.915
   92    HA   GLU  13           HA       GLU  13  -9.694   5.463   8.015
   93   1HB   GLU  13          2HB       GLU  13  -8.425   2.749   8.235
   94   2HB   GLU  13          1HB       GLU  13  -8.301   4.106   9.344
   95   1HG   GLU  13          2HG       GLU  13 -10.985   2.918   8.888
   96   2HG   GLU  13          1HG       GLU  13  -9.823   2.017   9.862
   97    H    ALA  14           H        ALA  14  -8.699   3.074   5.614
   98    HA   ALA  14           HA       ALA  14  -6.072   3.939   5.277
   99   1HB   ALA  14          1HB       ALA  14  -6.049   2.706   3.258
  100   2HB   ALA  14          2HB       ALA  14  -7.795   2.855   3.061
  101   3HB   ALA  14          3HB       ALA  14  -7.137   1.846   4.347
  102    H    VAL  15           H        VAL  15  -9.066   5.094   3.763
  103    HA   VAL  15           HA       VAL  15  -7.760   6.861   1.968
  104    HB   VAL  15           HB       VAL  15 -10.071   8.172   2.257
  105   1HG1  VAL  15          1HG1      VAL  15 -10.669   5.845   0.713
  106   2HG1  VAL  15          2HG1      VAL  15  -8.985   6.306   0.470
  107   3HG1  VAL  15          3HG1      VAL  15 -10.270   7.476   0.174
  108   1HG2  VAL  15          1HG2      VAL  15 -11.763   7.089   3.233
  109   2HG2  VAL  15          2HG2      VAL  15 -10.503   6.174   4.054
  110   3HG2  VAL  15          3HG2      VAL  15 -11.256   5.525   2.599
  111    H    ARG  16           H        ARG  16  -9.335   7.458   5.108
  112    HA   ARG  16           HA       ARG  16  -8.518  10.162   5.259
  113   1HB   ARG  16          2HB       ARG  16 -10.225   8.594   6.699
  114   2HB   ARG  16          1HB       ARG  16  -8.882   8.770   7.820
  115   1HG   ARG  16          2HG       ARG  16  -9.379  10.901   8.263
  116   2HG   ARG  16          1HG       ARG  16  -9.691  11.279   6.569
  117   1HD   ARG  16          2HD       ARG  16 -11.684   9.550   7.879
  118   2HD   ARG  16          1HD       ARG  16 -11.596  11.204   8.485
  119    HE   ARG  16           HE       ARG  16 -12.581  10.344   5.925
  120   1HH1  ARG  16          2HH1      ARG  16 -11.231  13.013   7.723
  121   2HH1  ARG  16          1HH1      ARG  16 -11.899  14.219   6.676
  122   1HH2  ARG  16          1HH2      ARG  16 -13.460  11.929   4.547
  123   2HH2  ARG  16          2HH2      ARG  16 -13.166  13.604   4.873
  124    H    ARG  17           H        ARG  17  -7.122   7.177   6.277
  125    HA   ARG  17           HA       ARG  17  -5.024   8.179   7.855
  126   1HB   ARG  17          2HB       ARG  17  -5.775   5.810   7.850
  127   2HB   ARG  17          1HB       ARG  17  -5.069   5.614   6.252
  128   1HG   ARG  17          2HG       ARG  17  -2.940   5.581   7.052
  129   2HG   ARG  17          1HG       ARG  17  -3.319   6.626   8.422
  130   1HD   ARG  17          2HD       ARG  17  -4.745   4.105   8.552
  131   2HD   ARG  17          1HD       ARG  17  -3.003   3.870   8.472
  132    HE   ARG  17           HE       ARG  17  -2.771   4.971  10.520
  133   1HH1  ARG  17          2HH1      ARG  17  -6.118   4.845   9.514
  134   2HH1  ARG  17          1HH1      ARG  17  -6.729   5.227  11.087
  135   1HH2  ARG  17          1HH2      ARG  17  -3.585   5.466  12.583
  136   2HH2  ARG  17          2HH2      ARG  17  -5.295   5.580  12.825
  137    H    LEU  18           H        LEU  18  -5.276   7.422   4.415
  138    HA   LEU  18           HA       LEU  18  -2.585   8.141   3.764
  139   1HB   LEU  18          2HB       LEU  18  -4.838   7.068   2.413
  140   2HB   LEU  18          1HB       LEU  18  -4.241   8.449   1.509
  141    HG   LEU  18           HG       LEU  18  -3.113   6.553   0.656
  142   1HD1  LEU  18          1HD1      LEU  18  -1.677   8.547   2.180
  143   2HD1  LEU  18          2HD1      LEU  18  -1.307   7.868   0.608
  144   3HD1  LEU  18          3HD1      LEU  18  -0.769   7.047   2.067
  145   1HD2  LEU  18          1HD2      LEU  18  -2.953   5.789   3.521
  146   2HD2  LEU  18          2HD2      LEU  18  -1.647   5.269   2.455
  147   3HD2  LEU  18          3HD2      LEU  18  -3.309   4.800   2.106
  148    H    GLN  19           H        GLN  19  -5.688   9.706   3.657
  149    HA   GLN  19           HA       GLN  19  -4.798  12.131   2.471
  150   1HB   GLN  19          2HB       GLN  19  -7.305  11.041   3.465
  151   2HB   GLN  19          1HB       GLN  19  -7.145  12.758   3.798
  152   1HG   GLN  19          2HG       GLN  19  -6.379  12.023   1.083
  153   2HG   GLN  19          1HG       GLN  19  -8.061  11.663   1.473
  154   1HE2  GLN  19          1HE2      GLN  19  -8.983  13.231   0.242
  155   2HE2  GLN  19          2HE2      GLN  19  -8.798  14.922   0.542
  156    H    ALA  20           H        ALA  20  -4.106  11.009   5.517
  157    HA   ALA  20           HA       ALA  20  -4.589  12.959   7.353
  158   1HB   ALA  20          1HB       ALA  20  -1.789  12.073   7.364
  159   2HB   ALA  20          2HB       ALA  20  -2.987  10.781   7.294
  160   3HB   ALA  20          3HB       ALA  20  -3.027  11.950   8.614
  161    H    GLU  21           H        GLU  21  -3.054  14.679   8.242
  162    HA   GLU  21           HA       GLU  21  -2.392  16.430   6.078
  163   1HB   GLU  21          2HB       GLU  21  -2.400  16.835   9.044
  164   2HB   GLU  21          1HB       GLU  21  -1.848  18.080   7.929
  165   1HG   GLU  21          2HG       GLU  21  -4.263  17.455   6.866
  166   2HG   GLU  21          1HG       GLU  21  -4.563  17.198   8.584
  167    H    GLY  22           H        GLY  22  -0.808  14.230   7.759
  168   1HA   GLY  22          2HA       GLY  22   1.852  15.435   7.424
  169   2HA   GLY  22          1HA       GLY  22   1.507  13.972   8.342
  170    H    ASN  23           H        ASN  23  -0.119  14.215   5.402
  171    HA   ASN  23           HA       ASN  23   1.611  12.191   4.163
  172   1HB   ASN  23          2HB       ASN  23  -1.312  12.754   4.222
  173   2HB   ASN  23          1HB       ASN  23  -0.639  11.943   2.830
  174   1HD2  ASN  23          1HD2      ASN  23   1.310  10.395   3.991
  175   2HD2  ASN  23          2HD2      ASN  23   0.571   9.219   5.012
  176    H    ALA  24           H        ALA  24   2.846  12.793   2.578
  177    HA   ALA  24           HA       ALA  24   1.860  14.829   0.735
  178   1HB   ALA  24          1HB       ALA  24   3.421  16.194   1.637
  179   2HB   ALA  24          2HB       ALA  24   4.510  15.305   0.574
  180   3HB   ALA  24          3HB       ALA  24   4.373  14.853   2.273
  181    H    THR  25           H        THR  25   1.202  13.208  -0.540
  182    HA   THR  25           HA       THR  25   1.208  11.616  -2.078
  183    HB   THR  25           HB       THR  25   2.834  12.076  -3.961
  184    HG1  THR  25           HG1      THR  25   3.603  14.239  -2.306
  185   1HG2  THR  25          1HG2      THR  25   1.541  14.597  -2.991
  186   2HG2  THR  25          2HG2      THR  25   0.605  13.247  -3.633
  187   3HG2  THR  25          3HG2      THR  25   1.800  14.055  -4.648
  188    H    GLY  26           H        GLY  26   1.879   9.662  -2.776
  189   1HA   GLY  26          2HA       GLY  26   3.249   7.781  -2.976
  190   2HA   GLY  26          1HA       GLY  26   4.518   8.632  -2.109
  191    H    ALA  27           H        ALA  27   2.312   9.309  -0.068
  192    HA   ALA  27           HA       ALA  27   2.946   7.524   1.906
  193   1HB   ALA  27          1HB       ALA  27   0.523   9.198   1.386
  194   2HB   ALA  27          2HB       ALA  27   1.811   9.446   2.563
  195   3HB   ALA  27          3HB       ALA  27   0.617   8.176   2.818
  196    H    PHE  28           H        PHE  28   2.636   5.414   2.100
  197    HA   PHE  28           HA       PHE  28   0.229   4.218   0.902
  198   1HB   PHE  28          2HB       PHE  28   2.814   4.053  -0.123
  199   2HB   PHE  28          1HB       PHE  28   2.587   2.523   0.704
  200    HD1  PHE  28           HD1      PHE  28   2.914   3.268  -2.367
  201    HD2  PHE  28           HD2      PHE  28  -0.382   2.293   0.127
  202    HE1  PHE  28           HE1      PHE  28   1.740   2.311  -4.294
  203    HE2  PHE  28           HE2      PHE  28  -1.569   1.368  -1.821
  204    HZ   PHE  28           HZ       PHE  28  -0.502   1.366  -4.028
  205    H    LEU  29           H        LEU  29  -0.226   2.095   1.824
  206    HA   LEU  29           HA       LEU  29   1.072   1.399   4.321
  207   1HB   LEU  29          2HB       LEU  29  -1.131   1.343   5.520
  208   2HB   LEU  29          1HB       LEU  29  -0.485   2.936   5.202
  209    HG   LEU  29           HG       LEU  29  -2.276   3.554   3.988
  210   1HD1  LEU  29          1HD1      LEU  29  -2.683   0.798   2.848
  211   2HD1  LEU  29          2HD1      LEU  29  -1.585   1.967   2.132
  212   3HD1  LEU  29          3HD1      LEU  29  -3.295   2.328   2.238
  213   1HD2  LEU  29          1HD2      LEU  29  -3.219   1.078   5.373
  214   2HD2  LEU  29          2HD2      LEU  29  -4.317   2.110   4.456
  215   3HD2  LEU  29          3HD2      LEU  29  -3.442   2.764   5.842
  216    H    ILE  30           H        ILE  30   0.499  -0.718   5.064
  217    HA   ILE  30           HA       ILE  30  -0.900  -2.259   2.990
  218    HB   ILE  30           HB       ILE  30   0.965  -3.837   4.573
  219   1HG1  ILE  30          2HG1      ILE  30   1.900  -1.331   3.246
  220   2HG1  ILE  30          1HG1      ILE  30   2.571  -2.181   4.629
  221   1HG2  ILE  30          1HG2      ILE  30   1.302  -3.623   1.674
  222   2HG2  ILE  30          2HG2      ILE  30  -0.345  -3.987   2.178
  223   3HG2  ILE  30          3HG2      ILE  30   0.976  -5.033   2.678
  224   1HD1  ILE  30          1HD1      ILE  30   3.221  -3.939   2.794
  225   2HD1  ILE  30          2HD1      ILE  30   4.210  -2.516   3.093
  226   3HD1  ILE  30          3HD1      ILE  30   3.089  -2.543   1.733
  227    H    ARG  31           H        ARG  31  -2.738  -2.931   3.621
  228    HA   ARG  31           HA       ARG  31  -3.138  -3.729   6.427
  229   1HB   ARG  31          2HB       ARG  31  -5.550  -3.262   5.971
  230   2HB   ARG  31          1HB       ARG  31  -4.527  -1.839   5.817
  231   1HG   ARG  31          2HG       ARG  31  -4.677  -3.149   3.304
  232   2HG   ARG  31          1HG       ARG  31  -6.308  -2.927   3.938
  233   1HD   ARG  31          2HD       ARG  31  -6.132  -0.626   3.949
  234   2HD   ARG  31          1HD       ARG  31  -4.373  -0.657   4.043
  235    HE   ARG  31           HE       ARG  31  -4.296  -0.680   1.762
  236   1HH1  ARG  31          2HH1      ARG  31  -7.508  -1.584   2.785
  237   2HH1  ARG  31          1HH1      ARG  31  -8.148  -1.609   1.176
  238   1HH2  ARG  31          1HH2      ARG  31  -5.139  -0.716  -0.354
  239   2HH2  ARG  31          2HH2      ARG  31  -6.799  -1.136  -0.601
  240    H    VAL  32           H        VAL  32  -5.391  -5.156   6.321
  241    HA   VAL  32           HA       VAL  32  -4.571  -7.478   4.745
  242    HB   VAL  32           HB       VAL  32  -6.144  -8.772   6.114
  243   1HG1  VAL  32          1HG1      VAL  32  -3.988  -7.143   7.325
  244   2HG1  VAL  32          2HG1      VAL  32  -4.140  -8.894   7.172
  245   3HG1  VAL  32          3HG1      VAL  32  -5.037  -8.037   8.426
  246   1HG2  VAL  32          1HG2      VAL  32  -7.878  -7.179   6.520
  247   2HG2  VAL  32          2HG2      VAL  32  -6.769  -6.104   7.369
  248   3HG2  VAL  32          3HG2      VAL  32  -7.213  -7.654   8.082
  249    H    SER  33           H        SER  33  -5.625  -8.207   3.054
  250    HA   SER  33           HA       SER  33  -7.360  -6.763   1.544
  251   1HB   SER  33          2HB       SER  33  -8.109  -9.348   0.932
  252   2HB   SER  33          1HB       SER  33  -6.723  -8.494   0.256
  253    HG   SER  33           HG       SER  33  -6.820 -10.472   2.220
  254    H    GLU  34           H        GLU  34  -9.084  -5.800   2.549
  255    HA   GLU  34           HA       GLU  34 -10.867  -7.107   4.299
  256   1HB   GLU  34          2HB       GLU  34 -11.529  -4.724   2.574
  257   2HB   GLU  34          1HB       GLU  34 -12.252  -5.163   4.115
  258   1HG   GLU  34          2HG       GLU  34 -10.820  -3.787   5.083
  259   2HG   GLU  34          1HG       GLU  34  -9.539  -4.922   4.658
  260    H    LYS  35           H        LYS  35 -10.507  -7.212   0.942
  261    HA   LYS  35           HA       LYS  35 -13.147  -8.466   0.626
  262   1HB   LYS  35          2HB       LYS  35 -11.927  -7.819  -1.911
  263   2HB   LYS  35          1HB       LYS  35 -13.487  -7.333  -1.270
  264   1HG   LYS  35          2HG       LYS  35 -12.732  -5.303  -0.596
  265   2HG   LYS  35          1HG       LYS  35 -11.110  -5.893  -0.241
  266   1HD   LYS  35          2HD       LYS  35 -10.749  -6.107  -2.715
  267   2HD   LYS  35          1HD       LYS  35 -12.285  -5.269  -2.942
  268   1HE   LYS  35          2HE       LYS  35 -11.411  -3.269  -2.410
  269   2HE   LYS  35          1HE       LYS  35 -10.444  -3.934  -1.095
  270   1HZ   LYS  35          1HZ       LYS  35  -9.169  -4.928  -3.214
  271   2HZ   LYS  35          2HZ       LYS  35  -8.759  -3.459  -2.480
  272   3HZ   LYS  35          3HZ       LYS  35  -9.729  -3.470  -3.866
  273    HA   PRO  36           HA       PRO  36  -9.996 -11.178  -1.992
  274   1HB   PRO  36          2HB       PRO  36  -7.467 -10.282  -0.714
  275   2HB   PRO  36          1HB       PRO  36  -7.786 -10.704  -2.397
  276   1HG   PRO  36          2HG       PRO  36  -7.474  -8.165  -1.667
  277   2HG   PRO  36          1HG       PRO  36  -8.672  -8.624  -2.891
  278   1HD   PRO  36          2HD       PRO  36  -9.072  -7.901  -0.022
  279   2HD   PRO  36          1HD       PRO  36 -10.069  -7.509  -1.434
  280    H    SER  37           H        SER  37  -7.955 -12.685  -0.972
  281    HA   SER  37           HA       SER  37  -8.643 -13.295   1.805
  282   1HB   SER  37          2HB       SER  37  -8.604 -15.453  -0.309
  283   2HB   SER  37          1HB       SER  37  -9.091 -15.608   1.379
  284    HG   SER  37           HG       SER  37 -10.409 -14.037  -0.586
  285    H    ALA  38           H        ALA  38  -6.940 -13.913   3.001
  286    HA   ALA  38           HA       ALA  38  -4.765 -14.258   3.588
  287   1HB   ALA  38          1HB       ALA  38  -3.974 -16.267   2.937
  288   2HB   ALA  38          2HB       ALA  38  -4.184 -15.917   1.222
  289   3HB   ALA  38          3HB       ALA  38  -5.566 -16.415   2.196
  290    H    ASP  39           H        ASP  39  -5.202 -11.923   2.088
  291    HA   ASP  39           HA       ASP  39  -2.562 -11.622   0.844
  292   1HB   ASP  39          2HB       ASP  39  -5.004 -10.327  -0.358
  293   2HB   ASP  39          1HB       ASP  39  -3.401 -10.501  -1.064
  294    H    TYR  40           H        TYR  40  -2.564  -9.022   0.180
  295    HA   TYR  40           HA       TYR  40  -3.540  -7.503   2.490
  296   1HB   TYR  40          2HB       TYR  40  -0.695  -8.041   1.855
  297   2HB   TYR  40          1HB       TYR  40  -1.065  -6.326   1.999
  298    HD1  TYR  40           HD1      TYR  40  -0.491  -5.480   4.052
  299    HD2  TYR  40           HD2      TYR  40  -2.128  -9.399   3.859
  300    HE1  TYR  40           HE1      TYR  40  -0.353  -5.652   6.501
  301    HE2  TYR  40           HE2      TYR  40  -2.000  -9.582   6.308
  302    HH   TYR  40           HH       TYR  40  -1.430  -6.918   8.320
  303    H    VAL  41           H        VAL  41  -4.171  -5.496   2.004
  304    HA   VAL  41           HA       VAL  41  -3.922  -4.785  -0.843
  305    HB   VAL  41           HB       VAL  41  -5.908  -3.220  -0.299
  306   1HG1  VAL  41          1HG1      VAL  41  -6.503  -4.826  -1.785
  307   2HG1  VAL  41          2HG1      VAL  41  -7.404  -5.451  -0.403
  308   3HG1  VAL  41          3HG1      VAL  41  -5.829  -6.133  -0.812
  309   1HG2  VAL  41          1HG2      VAL  41  -6.051  -3.375   2.049
  310   2HG2  VAL  41          2HG2      VAL  41  -5.959  -5.129   2.034
  311   3HG2  VAL  41          3HG2      VAL  41  -7.408  -4.316   1.450
  312    H    LEU  42           H        LEU  42  -2.992  -2.924  -1.402
  313    HA   LEU  42           HA       LEU  42  -2.017  -1.289   0.817
  314   1HB   LEU  42          2HB       LEU  42  -0.399  -2.577  -0.667
  315   2HB   LEU  42          1HB       LEU  42  -0.796  -1.407  -1.915
  316    HG   LEU  42           HG       LEU  42  -0.243   0.326  -0.065
  317   1HD1  LEU  42          1HD1      LEU  42   0.081  -1.714   1.540
  318   2HD1  LEU  42          2HD1      LEU  42   1.171  -0.330   1.642
  319   3HD1  LEU  42          3HD1      LEU  42   1.676  -1.793   0.803
  320   1HD2  LEU  42          1HD2      LEU  42   2.073  -1.152  -1.253
  321   2HD2  LEU  42          2HD2      LEU  42   1.876   0.576  -0.994
  322   3HD2  LEU  42          3HD2      LEU  42   0.950  -0.234  -2.253
  323    H    SER  43           H        SER  43  -2.555   0.822   0.906
  324    HA   SER  43           HA       SER  43  -3.685   2.040  -1.504
  325   1HB   SER  43          2HB       SER  43  -5.508   2.724  -0.520
  326   2HB   SER  43          1HB       SER  43  -5.131   1.491   0.682
  327    HG   SER  43           HG       SER  43  -5.574   3.671   1.508
  328    H    VAL  44           H        VAL  44  -2.773   3.720  -2.243
  329    HA   VAL  44           HA       VAL  44  -0.964   5.337  -0.500
  330    HB   VAL  44           HB       VAL  44   0.148   3.918  -2.214
  331   1HG1  VAL  44          1HG1      VAL  44  -0.507   3.797  -4.302
  332   2HG1  VAL  44          2HG1      VAL  44  -0.224   5.522  -4.499
  333   3HG1  VAL  44          3HG1      VAL  44  -1.792   4.944  -3.935
  334   1HG2  VAL  44          1HG2      VAL  44   1.155   6.250  -3.309
  335   2HG2  VAL  44          2HG2      VAL  44   1.752   5.391  -1.891
  336   3HG2  VAL  44          3HG2      VAL  44   0.579   6.690  -1.709
  337    H    ARG  45           H        ARG  45  -0.785   7.552  -1.007
  338    HA   ARG  45           HA       ARG  45  -3.209   8.697  -2.107
  339   1HB   ARG  45          2HB       ARG  45  -2.041   9.549  -0.010
  340   2HB   ARG  45          1HB       ARG  45  -0.795  10.181  -1.076
  341   1HG   ARG  45          2HG       ARG  45  -2.563  11.474  -2.250
  342   2HG   ARG  45          1HG       ARG  45  -3.695  10.953  -1.001
  343   1HD   ARG  45          2HD       ARG  45  -2.372  13.246  -0.841
  344   2HD   ARG  45          1HD       ARG  45  -2.776  12.293   0.585
  345    HE   ARG  45           HE       ARG  45  -0.170  12.771  -0.504
  346   1HH1  ARG  45          2HH1      ARG  45  -2.127  10.636   1.406
  347   2HH1  ARG  45          1HH1      ARG  45  -0.806  10.074   2.367
  348   1HH2  ARG  45          1HH2      ARG  45   1.582  12.013   0.776
  349   2HH2  ARG  45          2HH2      ARG  45   1.285  10.898   2.037
  350    H    ASP  46           H        ASP  46  -0.337   7.581  -3.208
  351    HA   ASP  46           HA       ASP  46   1.013   7.993  -5.026
  352   1HB   ASP  46          2HB       ASP  46  -1.469   8.883  -6.465
  353   2HB   ASP  46          1HB       ASP  46  -0.129   7.918  -7.074
  354    H    THR  47           H        THR  47  -0.985  10.378  -6.443
  355    HA   THR  47           HA       THR  47   0.791  12.513  -5.501
  356    HB   THR  47           HB       THR  47   1.394  11.940  -7.798
  357    HG1  THR  47           HG1      THR  47   1.259  14.197  -7.094
  358   1HG2  THR  47          1HG2      THR  47  -0.276  11.052  -9.013
  359   2HG2  THR  47          2HG2      THR  47  -0.511  12.732  -9.494
  360   3HG2  THR  47          3HG2      THR  47  -1.517  12.029  -8.228
  361    H    GLN  48           H        GLN  48  -2.099  11.386  -5.100
  362    HA   GLN  48           HA       GLN  48  -3.371  13.540  -4.053
  363   1HB   GLN  48          2HB       GLN  48  -3.513  13.589  -6.984
  364   2HB   GLN  48          1HB       GLN  48  -5.086  13.687  -6.204
  365   1HG   GLN  48          2HG       GLN  48  -3.472  15.458  -4.788
  366   2HG   GLN  48          1HG       GLN  48  -3.039  15.693  -6.481
  367   1HE2  GLN  48          1HE2      GLN  48  -5.957  15.213  -4.513
  368   2HE2  GLN  48          2HE2      GLN  48  -6.897  16.429  -5.303
  369    H    ALA  49           H        ALA  49  -5.555  13.081  -3.406
  370    HA   ALA  49           HA       ALA  49  -7.202  11.672  -2.679
  371   1HB   ALA  49          1HB       ALA  49  -7.774  11.813  -5.105
  372   2HB   ALA  49          2HB       ALA  49  -8.294  10.318  -4.330
  373   3HB   ALA  49          3HB       ALA  49  -6.861  10.326  -5.356
  374    H    VAL  50           H        VAL  50  -7.745   9.048  -2.776
  375    HA   VAL  50           HA       VAL  50  -5.229   7.776  -1.903
  376    HB   VAL  50           HB       VAL  50  -8.045   7.351  -0.887
  377   1HG1  VAL  50          1HG1      VAL  50  -5.545   5.770  -0.274
  378   2HG1  VAL  50          2HG1      VAL  50  -6.995   5.178  -1.083
  379   3HG1  VAL  50          3HG1      VAL  50  -7.062   5.644   0.615
  380   1HG2  VAL  50          1HG2      VAL  50  -7.445   8.869   0.620
  381   2HG2  VAL  50          2HG2      VAL  50  -5.804   8.932  -0.024
  382   3HG2  VAL  50          3HG2      VAL  50  -6.224   7.740   1.203
  383    H    ARG  51           H        ARG  51  -4.581   6.102  -2.981
  384    HA   ARG  51           HA       ARG  51  -6.426   4.759  -4.834
  385   1HB   ARG  51          2HB       ARG  51  -3.440   5.180  -4.902
  386   2HB   ARG  51          1HB       ARG  51  -4.263   4.057  -5.962
  387   1HG   ARG  51          2HG       ARG  51  -3.820   6.116  -7.113
  388   2HG   ARG  51          1HG       ARG  51  -5.553   5.896  -6.915
  389   1HD   ARG  51          2HD       ARG  51  -5.070   7.372  -4.747
  390   2HD   ARG  51          1HD       ARG  51  -3.736   7.920  -5.746
  391    HE   ARG  51           HE       ARG  51  -5.234   9.162  -6.900
  392   1HH1  ARG  51          2HH1      ARG  51  -6.942   6.441  -5.543
  393   2HH1  ARG  51          1HH1      ARG  51  -8.480   6.937  -6.161
  394   1HH2  ARG  51          1HH2      ARG  51  -7.254   9.818  -7.713
  395   2HH2  ARG  51          2HH2      ARG  51  -8.658   8.854  -7.397
  396    H    HIS  52           H        HIS  52  -7.147   2.917  -3.887
  397    HA   HIS  52           HA       HIS  52  -5.413   1.466  -2.064
  398   1HB   HIS  52          2HB       HIS  52  -8.231   0.774  -2.969
  399   2HB   HIS  52          1HB       HIS  52  -7.366   0.083  -1.598
  400    HD1  HIS  52           HD1      HIS  52  -6.940   1.633   0.424
  401    HD2  HIS  52           HD2      HIS  52  -9.423   3.237  -2.476
  402    HE1  HIS  52           HE1      HIS  52  -7.728   3.798   1.363
  403    HE2  HIS  52           HE2      HIS  52  -9.498   4.580  -0.270
  404    H    TYR  53           H        TYR  53  -4.812  -0.744  -2.333
  405    HA   TYR  53           HA       TYR  53  -5.145  -1.799  -5.050
  406   1HB   TYR  53          2HB       TYR  53  -2.484  -1.394  -3.684
  407   2HB   TYR  53          1HB       TYR  53  -2.730  -2.196  -5.232
  408    HD1  TYR  53           HD1      TYR  53  -2.703   1.069  -3.496
  409    HD2  TYR  53           HD2      TYR  53  -3.258  -0.948  -7.196
  410    HE1  TYR  53           HE1      TYR  53  -2.485   3.203  -4.697
  411    HE2  TYR  53           HE2      TYR  53  -3.038   1.178  -8.408
  412    HH   TYR  53           HH       TYR  53  -1.996   4.077  -6.841
  413    H    LYS  54           H        LYS  54  -4.674  -4.007  -5.288
  414    HA   LYS  54           HA       LYS  54  -4.925  -5.544  -2.805
  415   1HB   LYS  54          2HB       LYS  54  -6.541  -5.702  -4.893
  416   2HB   LYS  54          1HB       LYS  54  -5.275  -6.747  -5.522
  417   1HG   LYS  54          2HG       LYS  54  -5.616  -7.762  -3.026
  418   2HG   LYS  54          1HG       LYS  54  -7.251  -7.233  -3.424
  419   1HD   LYS  54          2HD       LYS  54  -7.327  -9.314  -4.345
  420   2HD   LYS  54          1HD       LYS  54  -6.656  -8.437  -5.721
  421   1HE   LYS  54          2HE       LYS  54  -5.488 -10.584  -5.149
  422   2HE   LYS  54          1HE       LYS  54  -4.452  -9.160  -5.216
  423   1HZ   LYS  54          1HZ       LYS  54  -4.019  -9.264  -3.026
  424   2HZ   LYS  54          2HZ       LYS  54  -4.445 -10.891  -3.200
  425   3HZ   LYS  54          3HZ       LYS  54  -5.577  -9.780  -2.613
  426    H    ILE  55           H        ILE  55  -3.143  -6.503  -2.074
  427    HA   ILE  55           HA       ILE  55  -0.953  -7.030  -3.963
  428    HB   ILE  55           HB       ILE  55  -0.580  -7.304  -1.030
  429   1HG1  ILE  55          2HG1      ILE  55  -0.183  -4.565  -2.112
  430   2HG1  ILE  55          1HG1      ILE  55  -1.838  -5.043  -1.746
  431   1HG2  ILE  55          1HG2      ILE  55   1.583  -7.215  -1.540
  432   2HG2  ILE  55          2HG2      ILE  55   1.369  -5.788  -2.552
  433   3HG2  ILE  55          3HG2      ILE  55   1.072  -7.394  -3.218
  434   1HD1  ILE  55          1HD1      ILE  55   0.189  -4.169   0.024
  435   2HD1  ILE  55          2HD1      ILE  55  -0.224  -5.832   0.427
  436   3HD1  ILE  55          3HD1      ILE  55  -1.483  -4.600   0.381
  437    H    TRP  56           H        TRP  56  -1.497  -8.961  -4.815
  438    HA   TRP  56           HA       TRP  56  -2.467 -11.119  -3.163
  439   1HB   TRP  56          2HB       TRP  56  -2.959 -10.439  -5.712
  440   2HB   TRP  56          1HB       TRP  56  -1.676 -11.611  -5.979
  441    HD1  TRP  56           HD1      TRP  56  -3.252 -12.957  -3.079
  442    HE1  TRP  56           HE1      TRP  56  -5.068 -14.687  -3.651
  443    HE3  TRP  56           HE3      TRP  56  -3.888 -11.849  -8.025
  444    HZ2  TRP  56           HZ2      TRP  56  -6.572 -15.478  -5.906
  445    HZ3  TRP  56           HZ3      TRP  56  -5.534 -13.139  -9.320
  446    HH2  TRP  56           HH2      TRP  56  -6.847 -14.916  -8.281
  447    H    ARG  57           H        ARG  57  -1.485 -13.157  -2.947
  448    HA   ARG  57           HA       ARG  57   1.427 -13.031  -2.836
  449   1HB   ARG  57          2HB       ARG  57  -0.386 -13.919  -1.025
  450   2HB   ARG  57          1HB       ARG  57   0.004 -15.427  -1.841
  451   1HG   ARG  57          2HG       ARG  57   2.448 -14.817  -1.421
  452   2HG   ARG  57          1HG       ARG  57   1.818 -13.614  -0.292
  453   1HD   ARG  57          2HD       ARG  57   0.428 -15.718   0.554
  454   2HD   ARG  57          1HD       ARG  57   1.810 -16.578  -0.123
  455    HE   ARG  57           HE       ARG  57   2.669 -14.455   1.546
  456   1HH1  ARG  57          2HH1      ARG  57   1.306 -17.666   1.659
  457   2HH1  ARG  57          1HH1      ARG  57   1.971 -18.030   3.215
  458   1HH2  ARG  57          1HH2      ARG  57   3.545 -14.932   3.595
  459   2HH2  ARG  57          2HH2      ARG  57   3.243 -16.478   4.315
  460    H    ARG  58           H        ARG  58   2.599 -15.108  -3.368
  461    HA   ARG  58           HA       ARG  58   1.533 -16.182  -5.892
  462   1HB   ARG  58          2HB       ARG  58   4.216 -15.374  -4.985
  463   2HB   ARG  58          1HB       ARG  58   4.166 -16.854  -5.929
  464   1HG   ARG  58          2HG       ARG  58   2.596 -14.671  -7.071
  465   2HG   ARG  58          1HG       ARG  58   4.323 -14.331  -6.950
  466   1HD   ARG  58          2HD       ARG  58   4.894 -15.994  -8.415
  467   2HD   ARG  58          1HD       ARG  58   3.480 -16.973  -8.024
  468    HE   ARG  58           HE       ARG  58   2.317 -15.897  -9.676
  469   1HH1  ARG  58          2HH1      ARG  58   5.223 -14.095  -8.980
  470   2HH1  ARG  58          1HH1      ARG  58   5.024 -13.017 -10.321
  471   1HH2  ARG  58          1HH2      ARG  58   2.054 -14.479 -11.439
  472   2HH2  ARG  58          2HH2      ARG  58   3.226 -13.234 -11.716
  473    H    ALA  59           H        ALA  59   0.958 -17.163  -3.151
  474    HA   ALA  59           HA       ALA  59   0.759 -19.130  -2.025
  475   1HB   ALA  59          1HB       ALA  59   1.171 -21.191  -3.685
  476   2HB   ALA  59          2HB       ALA  59   0.950 -19.903  -4.870
  477   3HB   ALA  59          3HB       ALA  59  -0.312 -20.236  -3.682
  478    H    GLY  60           H        GLY  60   2.705 -18.545  -0.829
  479   1HA   GLY  60          2HA       GLY  60   4.392 -20.338  -0.028
  480   2HA   GLY  60          1HA       GLY  60   5.104 -20.057  -1.611
  481    H    GLY  61           H        GLY  61   4.617 -17.226  -1.672
  482   1HA   GLY  61          2HA       GLY  61   5.269 -15.546   0.242
  483   2HA   GLY  61          1HA       GLY  61   6.792 -16.413   0.112
  484    H    ARG  62           H        ARG  62   4.537 -14.303  -1.566
  485    HA   ARG  62           HA       ARG  62   6.487 -12.736  -2.760
  486   1HB   ARG  62          2HB       ARG  62   6.152 -15.203  -4.134
  487   2HB   ARG  62          1HB       ARG  62   5.460 -13.939  -5.141
  488   1HG   ARG  62          2HG       ARG  62   7.458 -13.024  -5.602
  489   2HG   ARG  62          1HG       ARG  62   8.089 -13.322  -3.981
  490   1HD   ARG  62          2HD       ARG  62   7.760 -15.399  -6.144
  491   2HD   ARG  62          1HD       ARG  62   9.278 -14.619  -5.698
  492    HE   ARG  62           HE       ARG  62   7.936 -15.940  -3.517
  493   1HH1  ARG  62          2HH1      ARG  62  10.207 -16.306  -6.143
  494   2HH1  ARG  62          1HH1      ARG  62  11.003 -17.667  -5.428
  495   1HH2  ARG  62          1HH2      ARG  62   8.984 -17.729  -2.576
  496   2HH2  ARG  62          2HH2      ARG  62  10.310 -18.476  -3.404
  497    H    LEU  63           H        LEU  63   5.299 -10.976  -2.513
  498    HA   LEU  63           HA       LEU  63   2.481 -10.945  -3.133
  499   1HB   LEU  63          2HB       LEU  63   4.392  -8.914  -2.018
  500   2HB   LEU  63          1HB       LEU  63   2.760  -8.476  -2.491
  501    HG   LEU  63           HG       LEU  63   3.018  -8.938  -0.063
  502   1HD1  LEU  63          1HD1      LEU  63   1.140 -10.868  -0.223
  503   2HD1  LEU  63          2HD1      LEU  63   1.103 -10.247  -1.874
  504   3HD1  LEU  63          3HD1      LEU  63   0.823  -9.158  -0.515
  505   1HD2  LEU  63          1HD2      LEU  63   3.595 -11.006   0.779
  506   2HD2  LEU  63          2HD2      LEU  63   4.659 -10.886  -0.623
  507   3HD2  LEU  63          3HD2      LEU  63   3.182 -11.846  -0.716
  508    H    HIS  64           H        HIS  64   1.492  -9.665  -4.693
  509    HA   HIS  64           HA       HIS  64   3.079  -8.150  -6.534
  510   1HB   HIS  64          2HB       HIS  64   2.826  -9.434  -8.468
  511   2HB   HIS  64          1HB       HIS  64   3.223 -10.628  -7.240
  512    HD1  HIS  64           HD1      HIS  64   1.069 -10.225  -9.981
  513    HD2  HIS  64           HD2      HIS  64   0.552 -11.724  -6.140
  514    HE1  HIS  64           HE1      HIS  64  -0.983 -11.672 -10.095
  515    HE2  HIS  64           HE2      HIS  64  -1.231 -12.628  -7.778
  516    H    LEU  65           H        LEU  65   1.868  -6.366  -6.349
  517    HA   LEU  65           HA       LEU  65  -0.933  -6.387  -6.041
  518   1HB   LEU  65          2HB       LEU  65   0.874  -4.159  -6.980
  519   2HB   LEU  65          1HB       LEU  65  -0.802  -3.960  -6.501
  520    HG   LEU  65           HG       LEU  65   0.014  -5.020  -4.247
  521   1HD1  LEU  65          1HD1      LEU  65   2.187  -5.545  -4.318
  522   2HD1  LEU  65          2HD1      LEU  65   2.450  -3.818  -4.086
  523   3HD1  LEU  65          3HD1      LEU  65   2.495  -4.505  -5.707
  524   1HD2  LEU  65          1HD2      LEU  65  -0.011  -2.288  -5.286
  525   2HD2  LEU  65          2HD2      LEU  65   0.988  -2.502  -3.847
  526   3HD2  LEU  65          3HD2      LEU  65  -0.716  -2.952  -3.812
  527    H    ASN  66           H        ASN  66   1.146  -6.627  -8.713
  528    HA   ASN  66           HA       ASN  66  -1.110  -6.805 -10.542
  529   1HB   ASN  66          2HB       ASN  66   0.226  -4.475 -10.511
  530   2HB   ASN  66          1HB       ASN  66   1.269  -5.379 -11.604
  531   1HD2  ASN  66          1HD2      ASN  66  -2.228  -5.041 -11.069
  532   2HD2  ASN  66          2HD2      ASN  66  -2.625  -4.767 -12.728
  533    H    GLU  67           H        GLU  67  -0.151  -7.528 -12.802
  534    HA   GLU  67           HA       GLU  67   1.271  -9.970 -12.262
  535   1HB   GLU  67          2HB       GLU  67  -0.092  -8.772 -14.629
  536   2HB   GLU  67          1HB       GLU  67   1.068 -10.066 -14.895
  537   1HG   GLU  67          2HG       GLU  67  -0.256 -11.378 -13.156
  538   2HG   GLU  67          1HG       GLU  67  -1.504 -10.149 -13.361
  539    H    ALA  68           H        ALA  68   2.677  -7.273 -12.061
  540    HA   ALA  68           HA       ALA  68   5.054  -8.122 -13.506
  541   1HB   ALA  68          1HB       ALA  68   4.509  -6.690 -15.169
  542   2HB   ALA  68          2HB       ALA  68   5.257  -5.522 -14.081
  543   3HB   ALA  68          3HB       ALA  68   3.502  -5.685 -14.127
  544    H    VAL  69           H        VAL  69   3.884  -7.467 -10.621
  545    HA   VAL  69           HA       VAL  69   6.398  -6.223  -9.733
  546    HB   VAL  69           HB       VAL  69   5.244  -4.859  -8.082
  547   1HG1  VAL  69          1HG1      VAL  69   5.662  -3.624  -9.995
  548   2HG1  VAL  69          2HG1      VAL  69   3.929  -3.388  -9.763
  549   3HG1  VAL  69          3HG1      VAL  69   4.509  -4.542 -10.964
  550   1HG2  VAL  69          1HG2      VAL  69   2.567  -5.083  -9.195
  551   2HG2  VAL  69          2HG2      VAL  69   3.097  -5.095  -7.514
  552   3HG2  VAL  69          3HG2      VAL  69   3.120  -6.585  -8.457
  553    H    SER  70           H        SER  70   6.405  -8.806  -9.571
  554    HA   SER  70           HA       SER  70   5.189  -9.769  -7.127
  555   1HB   SER  70          2HB       SER  70   7.155 -11.202  -8.923
  556   2HB   SER  70          1HB       SER  70   6.082 -11.927  -7.726
  557    HG   SER  70           HG       SER  70   4.367 -11.554  -9.013
  558    H    PHE  71           H        PHE  71   6.160 -10.043  -5.192
  559    HA   PHE  71           HA       PHE  71   9.037 -10.052  -4.920
  560   1HB   PHE  71          2HB       PHE  71   7.482  -7.626  -4.464
  561   2HB   PHE  71          1HB       PHE  71   8.426  -8.105  -3.055
  562    HD1  PHE  71           HD1      PHE  71   8.518  -6.725  -6.387
  563    HD2  PHE  71           HD2      PHE  71  10.885  -8.377  -3.261
  564    HE1  PHE  71           HE1      PHE  71  10.541  -5.782  -7.425
  565    HE2  PHE  71           HE2      PHE  71  12.912  -7.433  -4.289
  566    HZ   PHE  71           HZ       PHE  71  12.741  -6.134  -6.375
  567    H    LEU  72           H        LEU  72   9.549 -11.432  -3.476
  568    HA   LEU  72           HA       LEU  72   8.277 -13.213  -2.092
  569   1HB   LEU  72          2HB       LEU  72   9.982 -12.890  -0.197
  570   2HB   LEU  72          1HB       LEU  72  10.566 -13.224  -1.818
  571    HG   LEU  72           HG       LEU  72  10.692 -10.609  -2.004
  572   1HD1  LEU  72          1HD1      LEU  72  10.160  -9.513  -0.145
  573   2HD1  LEU  72          2HD1      LEU  72  11.562 -10.238   0.637
  574   3HD1  LEU  72          3HD1      LEU  72   9.985 -11.016   0.758
  575   1HD2  LEU  72          1HD2      LEU  72  12.802 -11.727  -0.234
  576   2HD2  LEU  72          2HD2      LEU  72  12.946 -10.802  -1.729
  577   3HD2  LEU  72          3HD2      LEU  72  12.525 -12.514  -1.787
  578    H    SER  73           H        SER  73   8.410  -9.868  -0.869
  579    HA   SER  73           HA       SER  73   6.070 -10.410   0.740
  580   1HB   SER  73          2HB       SER  73   8.296 -10.928   2.046
  581   2HB   SER  73          1HB       SER  73   8.348  -9.174   2.224
  582    HG   SER  73           HG       SER  73   6.675  -9.243   3.528
  583    H    LEU  74           H        LEU  74   5.531  -8.343   2.089
  584    HA   LEU  74           HA       LEU  74   4.970  -6.289   0.295
  585   1HB   LEU  74          2HB       LEU  74   4.799  -6.613   3.226
  586   2HB   LEU  74          1HB       LEU  74   4.764  -4.973   2.606
  587    HG   LEU  74           HG       LEU  74   2.513  -5.723   2.859
  588   1HD1  LEU  74          1HD1      LEU  74   3.130  -5.918  -0.079
  589   2HD1  LEU  74          2HD1      LEU  74   3.163  -4.401   0.815
  590   3HD1  LEU  74          3HD1      LEU  74   1.665  -5.315   0.685
  591   1HD2  LEU  74          1HD2      LEU  74   1.979  -7.727   1.124
  592   2HD2  LEU  74          2HD2      LEU  74   2.258  -7.949   2.851
  593   3HD2  LEU  74          3HD2      LEU  74   3.576  -8.199   1.705
  594    HA   PRO  75           HA       PRO  75   8.471  -3.708   2.828
  595   1HB   PRO  75          2HB       PRO  75  10.472  -5.760   3.139
  596   2HB   PRO  75          1HB       PRO  75   9.723  -4.760   4.384
  597   1HG   PRO  75          2HG       PRO  75   9.079  -7.508   3.548
  598   2HG   PRO  75          1HG       PRO  75   8.729  -6.685   5.077
  599   1HD   PRO  75          2HD       PRO  75   6.799  -7.265   3.294
  600   2HD   PRO  75          1HD       PRO  75   6.745  -5.792   4.284
  601    H    GLU  76           H        GLU  76   9.265  -6.557   0.857
  602    HA   GLU  76           HA       GLU  76  11.191  -5.063  -0.701
  603   1HB   GLU  76          2HB       GLU  76  10.108  -7.845  -1.176
  604   2HB   GLU  76          1HB       GLU  76  11.545  -7.140  -1.902
  605   1HG   GLU  76          2HG       GLU  76  11.123  -7.930   0.963
  606   2HG   GLU  76          1HG       GLU  76  12.266  -8.606  -0.196
  607    H    LEU  77           H        LEU  77   7.924  -6.291  -1.002
  608    HA   LEU  77           HA       LEU  77   7.525  -5.794  -3.737
  609   1HB   LEU  77          2HB       LEU  77   5.923  -7.147  -2.702
  610   2HB   LEU  77          1HB       LEU  77   5.714  -6.039  -1.365
  611    HG   LEU  77           HG       LEU  77   3.826  -6.289  -3.116
  612   1HD1  LEU  77          1HD1      LEU  77   2.980  -4.401  -2.266
  613   2HD1  LEU  77          2HD1      LEU  77   4.345  -3.424  -2.805
  614   3HD1  LEU  77          3HD1      LEU  77   4.465  -4.361  -1.316
  615   1HD2  LEU  77          1HD2      LEU  77   4.749  -4.066  -4.665
  616   2HD2  LEU  77          2HD2      LEU  77   4.188  -5.647  -5.207
  617   3HD2  LEU  77          3HD2      LEU  77   5.888  -5.404  -4.813
  618    H    VAL  78           H        VAL  78   7.164  -3.744  -0.885
  619    HA   VAL  78           HA       VAL  78   6.118  -1.517  -2.346
  620    HB   VAL  78           HB       VAL  78   7.124  -1.872   0.463
  621   1HG1  VAL  78          1HG1      VAL  78   6.104   0.664   0.476
  622   2HG1  VAL  78          2HG1      VAL  78   7.002   0.645  -1.037
  623   3HG1  VAL  78          3HG1      VAL  78   7.821   0.267   0.477
  624   1HG2  VAL  78          1HG2      VAL  78   4.931  -1.756   1.072
  625   2HG2  VAL  78          2HG2      VAL  78   4.726  -2.376  -0.566
  626   3HG2  VAL  78          3HG2      VAL  78   4.509  -0.658  -0.241
  627    H    ASN  79           H        ASN  79   9.280  -2.668  -1.386
  628    HA   ASN  79           HA       ASN  79  10.806  -0.368  -1.805
  629   1HB   ASN  79          2HB       ASN  79  11.509  -2.722  -0.931
  630   2HB   ASN  79          1HB       ASN  79  11.794  -3.087  -2.631
  631   1HD2  ASN  79          1HD2      ASN  79  13.925  -3.331  -1.198
  632   2HD2  ASN  79          2HD2      ASN  79  15.001  -1.987  -1.347
  633    H    TYR  80           H        TYR  80   9.509  -2.745  -4.026
  634    HA   TYR  80           HA       TYR  80  10.807  -1.685  -6.353
  635   1HB   TYR  80          2HB       TYR  80   9.940  -4.066  -6.055
  636   2HB   TYR  80          1HB       TYR  80   8.326  -3.409  -6.292
  637    HD1  TYR  80           HD1      TYR  80  11.669  -3.187  -7.961
  638    HD2  TYR  80           HD2      TYR  80   7.463  -3.624  -8.415
  639    HE1  TYR  80           HE1      TYR  80  11.960  -3.382 -10.393
  640    HE2  TYR  80           HE2      TYR  80   7.741  -3.821 -10.850
  641    HH   TYR  80           HH       TYR  80  10.390  -4.585 -12.344
  642    H    HIS  81           H        HIS  81   7.796  -1.219  -4.655
  643    HA   HIS  81           HA       HIS  81   6.447   0.245  -6.673
  644   1HB   HIS  81          2HB       HIS  81   6.030  -0.373  -3.819
  645   2HB   HIS  81          1HB       HIS  81   5.348   1.162  -4.338
  646    HD1  HIS  81           HD1      HIS  81   5.443  -2.033  -6.367
  647    HD2  HIS  81           HD2      HIS  81   2.710   0.470  -4.489
  648    HE1  HIS  81           HE1      HIS  81   3.177  -2.882  -7.049
  649    HE2  HIS  81           HE2      HIS  81   1.543  -1.279  -5.994
  650    H    ARG  82           H        ARG  82   8.726   1.091  -4.141
  651    HA   ARG  82           HA       ARG  82   8.327   3.900  -4.401
  652   1HB   ARG  82          2HB       ARG  82   9.143   3.135  -2.293
  653   2HB   ARG  82          1HB       ARG  82  10.472   2.276  -3.058
  654   1HG   ARG  82          2HG       ARG  82  11.401   4.469  -3.773
  655   2HG   ARG  82          1HG       ARG  82  10.130   5.260  -2.838
  656   1HD   ARG  82          2HD       ARG  82  11.756   3.209  -1.449
  657   2HD   ARG  82          1HD       ARG  82  12.553   4.731  -1.841
  658    HE   ARG  82           HE       ARG  82  10.499   4.301   0.128
  659   1HH1  ARG  82          2HH1      ARG  82  12.063   6.656  -1.917
  660   2HH1  ARG  82          1HH1      ARG  82  11.627   8.000  -0.914
  661   1HH2  ARG  82          1HH2      ARG  82   9.928   6.065   1.448
  662   2HH2  ARG  82          2HH2      ARG  82  10.418   7.663   0.997
  663    H    ALA  83           H        ALA  83  10.420   1.581  -5.827
  664    HA   ALA  83           HA       ALA  83  12.132   3.519  -7.069
  665   1HB   ALA  83          1HB       ALA  83  11.882   0.751  -8.143
  666   2HB   ALA  83          2HB       ALA  83  12.551   0.964  -6.526
  667   3HB   ALA  83          3HB       ALA  83  13.322   1.745  -7.908
  668    H    GLN  84           H        GLN  84   9.913   1.113  -8.398
  669    HA   GLN  84           HA       GLN  84   9.385   2.872 -10.676
  670   1HB   GLN  84          2HB       GLN  84   9.895   0.162 -10.559
  671   2HB   GLN  84          1HB       GLN  84   8.147   0.221 -10.739
  672   1HG   GLN  84          2HG       GLN  84   8.972   0.100 -12.917
  673   2HG   GLN  84          1HG       GLN  84   8.558   1.798 -12.688
  674   1HE2  GLN  84          1HE2      GLN  84   9.975   3.054 -13.643
  675   2HE2  GLN  84          2HE2      GLN  84  11.686   2.819 -13.688
  676    H    SER  85           H        SER  85   7.242   3.317 -11.359
  677    HA   SER  85           HA       SER  85   5.320   3.356  -9.142
  678   1HB   SER  85          2HB       SER  85   4.535   4.653 -11.666
  679   2HB   SER  85          1HB       SER  85   4.520   5.284 -10.019
  680    HG   SER  85           HG       SER  85   6.911   5.389 -10.324
  681    H    LEU  86           H        LEU  86   6.089   1.089 -11.166
  682    HA   LEU  86           HA       LEU  86   4.041   0.467 -12.877
  683   1HB   LEU  86          2HB       LEU  86   6.278  -0.795 -12.095
  684   2HB   LEU  86          1HB       LEU  86   5.093  -1.775 -11.252
  685    HG   LEU  86           HG       LEU  86   5.734  -2.686 -13.467
  686   1HD1  LEU  86          1HD1      LEU  86   2.851  -1.823 -13.397
  687   2HD1  LEU  86          2HD1      LEU  86   3.517  -3.111 -12.391
  688   3HD1  LEU  86          3HD1      LEU  86   3.528  -3.268 -14.148
  689   1HD2  LEU  86          1HD2      LEU  86   4.198  -0.410 -14.681
  690   2HD2  LEU  86          2HD2      LEU  86   5.217  -1.608 -15.481
  691   3HD2  LEU  86          3HD2      LEU  86   5.951  -0.353 -14.483
  692    H    SER  87           H        SER  87   1.956  -0.005 -12.689
  693    HA   SER  87           HA       SER  87  -0.093  -0.319 -11.740
  694   1HB   SER  87          2HB       SER  87   1.062  -2.224  -9.755
  695   2HB   SER  87          1HB       SER  87  -0.370  -2.389 -10.770
  696    HG   SER  87           HG       SER  87   1.948  -3.455 -11.210
  697    H    HIS  88           H        HIS  88   1.724   1.700 -10.533
  698    HA   HIS  88           HA       HIS  88   0.173   2.133  -8.121
  699   1HB   HIS  88          2HB       HIS  88   2.014   0.977  -7.157
  700   2HB   HIS  88          1HB       HIS  88   3.178   1.856  -8.140
  701    HD1  HIS  88           HD1      HIS  88   4.289   2.338  -5.734
  702    HD2  HIS  88           HD2      HIS  88   0.657   4.201  -6.497
  703    HE1  HIS  88           HE1      HIS  88   4.096   4.166  -4.023
  704    HE2  HIS  88           HE2      HIS  88   1.998   5.404  -4.649
  705    H    GLY  89           H        GLY  89  -0.582   4.105  -8.238
  706   1HA   GLY  89          2HA       GLY  89  -0.258   5.994 -10.092
  707   2HA   GLY  89          1HA       GLY  89  -0.627   6.403  -8.435
  708    H    LEU  90           H        LEU  90   1.652   6.139  -7.067
  709    HA   LEU  90           HA       LEU  90   3.826   7.375  -8.536
  710   1HB   LEU  90          2HB       LEU  90   2.777   9.377  -8.131
  711   2HB   LEU  90          1HB       LEU  90   2.042   8.818  -6.646
  712    HG   LEU  90           HG       LEU  90   4.998   9.248  -6.720
  713   1HD1  LEU  90          1HD1      LEU  90   3.724  11.240  -7.730
  714   2HD1  LEU  90          2HD1      LEU  90   4.838  11.553  -6.399
  715   3HD1  LEU  90          3HD1      LEU  90   3.102  11.486  -6.098
  716   1HD2  LEU  90          1HD2      LEU  90   4.765   8.846  -4.548
  717   2HD2  LEU  90          2HD2      LEU  90   3.035   8.604  -4.779
  718   3HD2  LEU  90          3HD2      LEU  90   3.657  10.209  -4.400
  719    H    ARG  91           H        ARG  91   5.614   6.480  -7.874
  720    HA   ARG  91           HA       ARG  91   6.288   4.586  -6.288
  721   1HB   ARG  91          2HB       ARG  91   7.745   7.207  -6.424
  722   2HB   ARG  91          1HB       ARG  91   8.418   5.804  -5.613
  723   1HG   ARG  91          2HG       ARG  91   8.730   4.650  -7.575
  724   2HG   ARG  91          1HG       ARG  91   7.474   5.552  -8.424
  725   1HD   ARG  91          2HD       ARG  91   9.977   6.012  -8.959
  726   2HD   ARG  91          1HD       ARG  91   8.848   7.350  -8.830
  727    HE   ARG  91           HE       ARG  91   9.771   7.882  -6.703
  728   1HH1  ARG  91          2HH1      ARG  91  11.515   5.363  -8.393
  729   2HH1  ARG  91          1HH1      ARG  91  12.960   5.580  -7.469
  730   1HH2  ARG  91          1HH2      ARG  91  11.674   8.156  -5.493
  731   2HH2  ARG  91          2HH2      ARG  91  13.052   7.161  -5.825
  732    H    LEU  92           H        LEU  92   6.419   3.895  -4.230
  733    HA   LEU  92           HA       LEU  92   4.962   5.186  -2.209
  734   1HB   LEU  92          2HB       LEU  92   6.180   2.688  -2.525
  735   2HB   LEU  92          1HB       LEU  92   6.858   3.380  -1.056
  736    HG   LEU  92           HG       LEU  92   3.986   3.746  -1.287
  737   1HD1  LEU  92          1HD1      LEU  92   3.422   1.415  -0.680
  738   2HD1  LEU  92          2HD1      LEU  92   5.052   0.949  -1.153
  739   3HD1  LEU  92          3HD1      LEU  92   3.954   1.623  -2.348
  740   1HD2  LEU  92          1HD2      LEU  92   5.985   3.304   0.754
  741   2HD2  LEU  92          2HD2      LEU  92   4.500   2.399   1.039
  742   3HD2  LEU  92          3HD2      LEU  92   4.440   4.149   0.834
  743    H    ALA  93           H        ALA  93   5.466   6.687  -0.718
  744    HA   ALA  93           HA       ALA  93   8.191   7.088   0.139
  745   1HB   ALA  93          1HB       ALA  93   6.839   9.311  -1.376
  746   2HB   ALA  93          2HB       ALA  93   8.128   8.291  -2.012
  747   3HB   ALA  93          3HB       ALA  93   8.441   9.352  -0.639
  748    H    ALA  94           H        ALA  94   5.996   6.399   1.671
  749    HA   ALA  94           HA       ALA  94   6.120   8.122   3.803
  750   1HB   ALA  94          1HB       ALA  94   4.976   9.921   3.117
  751   2HB   ALA  94          2HB       ALA  94   3.544   8.932   3.405
  752   3HB   ALA  94          3HB       ALA  94   4.222   9.053   1.781
  753    HA   PRO  95           HA       PRO  95   3.825   4.636   5.330
  754   1HB   PRO  95          2HB       PRO  95   4.104   5.080   7.927
  755   2HB   PRO  95          1HB       PRO  95   5.524   4.780   6.919
  756   1HG   PRO  95          2HG       PRO  95   4.477   7.362   7.994
  757   2HG   PRO  95          1HG       PRO  95   6.154   6.811   7.835
  758   1HD   PRO  95          2HD       PRO  95   4.803   8.491   6.049
  759   2HD   PRO  95          1HD       PRO  95   6.311   7.617   5.716
  760    H    CYS  96           H        CYS  96   1.928   6.312   4.330
  761    HA   CYS  96           HA       CYS  96  -0.122   7.320   4.660
  762   1HB   CYS  96          2HB       CYS  96  -1.719   5.790   5.535
  763   2HB   CYS  96          1HB       CYS  96  -0.454   4.815   4.798
  764    HG   CYS  96           HG       CYS  96  -1.029   5.001   7.829
  765    H    ARG  97           H        ARG  97   1.895   8.352   6.460
  766    HA   ARG  97           HA       ARG  97   2.085   9.689   8.293
  767   1HB   ARG  97          2HB       ARG  97  -0.266  10.364   7.161
  768   2HB   ARG  97          1HB       ARG  97  -0.842   9.832   8.734
  769   1HG   ARG  97          2HG       ARG  97   1.272  11.432   9.403
  770   2HG   ARG  97          1HG       ARG  97   0.611  12.242   7.984
  771   1HD   ARG  97          2HD       ARG  97  -1.135  12.995   9.134
  772   2HD   ARG  97          1HD       ARG  97  -1.495  11.385   9.753
  773    HE   ARG  97           HE       ARG  97   0.701  12.462  11.148
  774   1HH1  ARG  97          2HH1      ARG  97  -2.749  12.860  10.824
  775   2HH1  ARG  97          1HH1      ARG  97  -2.957  13.471  12.430
  776   1HH2  ARG  97          1HH2      ARG  97   0.432  13.265  13.263
  777   2HH2  ARG  97          2HH2      ARG  97  -1.150  13.701  13.815
  778    H    LYS  98           H        LYS  98   0.467   9.903  10.606
  779    HA   LYS  98           HA       LYS  98   0.120   8.915  12.626
  780   1HB   LYS  98          2HB       LYS  98  -1.519   7.575  11.344
  781   2HB   LYS  98          1HB       LYS  98  -0.260   6.400  10.991
  782   1HG   LYS  98          2HG       LYS  98  -1.210   5.369  12.764
  783   2HG   LYS  98          1HG       LYS  98  -0.063   6.387  13.635
  784   1HD   LYS  98          2HD       LYS  98  -2.683   7.603  13.036
  785   2HD   LYS  98          1HD       LYS  98  -2.694   6.277  14.199
  786   1HE   LYS  98          2HE       LYS  98  -2.197   7.860  15.706
  787   2HE   LYS  98          1HE       LYS  98  -0.563   7.741  15.054
  788   1HZ   LYS  98          1HZ       LYS  98  -1.658   9.472  13.353
  789   2HZ   LYS  98          2HZ       LYS  98  -0.837   9.937  14.757
  790   3HZ   LYS  98          3HZ       LYS  98  -2.526   9.854  14.755
  791    H    HIS  99           H        HIS  99   2.303   9.302  13.221
  792    HA   HIS  99           HA       HIS  99   4.012   6.902  13.166
  793   1HB   HIS  99          2HB       HIS  99   4.895   9.784  13.423
  794   2HB   HIS  99          1HB       HIS  99   5.944   8.375  13.296
  795    HD1  HIS  99           HD1      HIS  99   6.990   8.418  11.062
  796    HD2  HIS  99           HD2      HIS  99   2.996   9.551  10.912
  797    HE1  HIS  99           HE1      HIS  99   6.487   8.785   8.626
  798    HE2  HIS  99           HE2      HIS  99   4.043   9.388   8.552
  799    H    GLU 100           HN       GLU 100   5.648   6.934  15.040
  800    HA   GLU 100           HA       GLU 100   6.011   6.694  17.271
  801   1HB   GLU 100          2HB       GLU 100   5.443   9.333  16.885
  802   2HB   GLU 100          1HB       GLU 100   4.234   8.899  18.085
  803   1HG   GLU 100          2HG       GLU 100   5.768   8.563  19.716
  804   2HG   GLU 100          1HG       GLU 100   7.009   8.011  18.591
  Start of MODEL   11
    1   1H    SER   1          1H        SER   1  10.144   8.367   5.000
    2   2H    SER   1          2H        SER   1   8.796   7.310   4.887
    3   3H    SER   1          3H        SER   1   9.844   7.514   3.544
    4    HA   SER   1           HA       SER   1  11.632   6.533   4.744
    5   1HB   SER   1          2HB       SER   1   9.551   6.481   6.925
    6   2HB   SER   1          1HB       SER   1  10.944   5.401   6.954
    7    HG   SER   1           HG       SER   1  11.121   8.224   6.735
    8    H    GLU   2           H        GLU   2   8.572   5.039   5.763
    9    HA   GLU   2           HA       GLU   2   8.478   3.257   3.527
   10   1HB   GLU   2          2HB       GLU   2   8.738   1.183   4.956
   11   2HB   GLU   2          1HB       GLU   2  10.218   2.073   4.624
   12   1HG   GLU   2          2HG       GLU   2  10.385   2.863   6.792
   13   2HG   GLU   2          1HG       GLU   2   8.677   2.589   7.129
   14    HA   PRO   3           HA       PRO   3   4.144   3.437   4.444
   15   1HB   PRO   3          2HB       PRO   3   3.741   0.674   3.840
   16   2HB   PRO   3          1HB       PRO   3   3.398   2.068   2.820
   17   1HG   PRO   3          2HG       PRO   3   5.720   0.252   2.802
   18   2HG   PRO   3          1HG       PRO   3   5.048   1.242   1.497
   19   1HD   PRO   3          2HD       PRO   3   7.372   1.857   2.708
   20   2HD   PRO   3          1HD       PRO   3   6.258   3.110   2.120
   21    H    TRP   4           H        TRP   4   2.596   2.596   5.930
   22    HA   TRP   4           HA       TRP   4   3.834   1.173   8.184
   23   1HB   TRP   4          2HB       TRP   4   2.295   3.530   8.080
   24   2HB   TRP   4          1HB       TRP   4   1.254   2.311   8.807
   25    HD1  TRP   4           HD1      TRP   4   1.334   3.000  11.300
   26    HE1  TRP   4           HE1      TRP   4   3.201   3.234  13.056
   27    HE3  TRP   4           HE3      TRP   4   5.396   2.488   8.239
   28    HZ2  TRP   4           HZ2      TRP   4   6.023   3.206  13.133
   29    HZ3  TRP   4           HZ3      TRP   4   7.645   2.604   9.232
   30    HH2  TRP   4           HH2      TRP   4   7.949   2.955  11.629
   31    H    PHE   5           H        PHE   5   3.414  -0.932   8.150
   32    HA   PHE   5           HA       PHE   5   1.156  -2.045   6.804
   33   1HB   PHE   5          2HB       PHE   5   1.975  -4.196   7.907
   34   2HB   PHE   5          1HB       PHE   5   3.098  -3.393   6.815
   35    HD1  PHE   5           HD1      PHE   5   2.276  -3.935  10.378
   36    HD2  PHE   5           HD2      PHE   5   5.194  -2.642   7.563
   37    HE1  PHE   5           HE1      PHE   5   3.972  -3.891  12.161
   38    HE2  PHE   5           HE2      PHE   5   6.895  -2.597   9.340
   39    HZ   PHE   5           HZ       PHE   5   6.285  -3.223  11.643
   40    H    PHE   6           H        PHE   6  -0.827  -2.343   7.546
   41    HA   PHE   6           HA       PHE   6  -1.256  -2.747  10.414
   42   1HB   PHE   6          2HB       PHE   6  -1.741  -0.278   9.193
   43   2HB   PHE   6          1HB       PHE   6  -3.325  -1.036   9.305
   44    HD1  PHE   6           HD1      PHE   6  -1.046   0.997  10.961
   45    HD2  PHE   6           HD2      PHE   6  -3.788  -2.179  11.667
   46    HE1  PHE   6           HE1      PHE   6  -1.181   1.645  13.331
   47    HE2  PHE   6           HE2      PHE   6  -3.928  -1.537  14.038
   48    HZ   PHE   6           HZ       PHE   6  -2.624   0.378  14.873
   49    H    GLY   7           H        GLY   7  -2.060  -4.775  10.305
   50   1HA   GLY   7          2HA       GLY   7  -3.856  -5.537   8.168
   51   2HA   GLY   7          1HA       GLY   7  -3.243  -6.581   9.440
   52    H    CYS   8           H        CYS   8  -4.551  -3.610  10.525
   53    HA   CYS   8           HA       CYS   8  -7.083  -4.947  11.114
   54   1HB   CYS   8          2HB       CYS   8  -5.266  -4.609  13.025
   55   2HB   CYS   8          1HB       CYS   8  -6.001  -3.010  13.098
   56    HG   CYS   8           HG       CYS   8  -7.609  -5.625  13.619
   57    H    ILE   9           H        ILE   9  -5.675  -2.344   9.617
   58    HA   ILE   9           HA       ILE   9  -7.616  -0.337  10.311
   59    HB   ILE   9           HB       ILE   9  -6.624   0.991   8.497
   60   1HG1  ILE   9          2HG1      ILE   9  -4.819  -1.391   8.045
   61   2HG1  ILE   9          1HG1      ILE   9  -6.141  -0.927   6.982
   62   1HG2  ILE   9          1HG2      ILE   9  -5.463   1.438  10.404
   63   2HG2  ILE   9          2HG2      ILE   9  -4.157   0.778   9.421
   64   3HG2  ILE   9          3HG2      ILE   9  -4.954  -0.236  10.622
   65   1HD1  ILE   9          1HD1      ILE   9  -3.612  -0.192   6.586
   66   2HD1  ILE   9          2HD1      ILE   9  -4.151   1.158   7.586
   67   3HD1  ILE   9          3HD1      ILE   9  -4.992   0.783   6.083
   68    H    SER  10           H        SER  10  -9.393   0.309   9.175
   69    HA   SER  10           HA       SER  10 -10.407  -1.582   7.203
   70   1HB   SER  10          2HB       SER  10 -11.673  -0.449   9.268
   71   2HB   SER  10          1HB       SER  10 -12.012   0.780   8.049
   72    HG   SER  10           HG       SER  10 -12.540  -1.994   7.761
   73    H    ARG  11           H        ARG  11 -11.552  -0.706   5.270
   74    HA   ARG  11           HA       ARG  11  -9.821   0.867   3.725
   75   1HB   ARG  11          2HB       ARG  11 -11.668  -0.827   3.008
   76   2HB   ARG  11          1HB       ARG  11 -12.722   0.579   3.038
   77   1HG   ARG  11          2HG       ARG  11 -11.804   1.479   1.182
   78   2HG   ARG  11          1HG       ARG  11 -10.189   0.878   1.555
   79   1HD   ARG  11          2HD       ARG  11 -10.533  -0.644  -0.039
   80   2HD   ARG  11          1HD       ARG  11 -11.637  -1.424   1.091
   81    HE   ARG  11           HE       ARG  11 -13.205   0.413  -0.119
   82   1HH1  ARG  11          2HH1      ARG  11 -11.062  -2.058  -1.342
   83   2HH1  ARG  11          1HH1      ARG  11 -11.978  -2.310  -2.790
   84   1HH2  ARG  11          1HH2      ARG  11 -14.408   0.082  -2.024
   85   2HH2  ARG  11          2HH2      ARG  11 -13.875  -1.095  -3.178
   86    H    SER  12           H        SER  12 -12.240   1.744   5.937
   87    HA   SER  12           HA       SER  12 -12.912   4.287   4.841
   88   1HB   SER  12          2HB       SER  12 -13.267   3.083   7.586
   89   2HB   SER  12          1HB       SER  12 -13.812   4.709   7.180
   90    HG   SER  12           HG       SER  12 -15.453   3.107   6.923
   91    H    GLU  13           H        GLU  13 -10.636   3.188   7.326
   92    HA   GLU  13           HA       GLU  13  -9.750   5.825   7.980
   93   1HB   GLU  13          2HB       GLU  13  -8.125   3.355   8.488
   94   2HB   GLU  13          1HB       GLU  13  -8.230   4.825   9.447
   95   1HG   GLU  13          2HG       GLU  13 -10.779   3.982   9.608
   96   2HG   GLU  13          1HG       GLU  13  -9.950   2.435   9.441
   97    H    ALA  14           H        ALA  14  -8.450   3.206   5.965
   98    HA   ALA  14           HA       ALA  14  -6.009   4.390   5.330
   99   1HB   ALA  14          1HB       ALA  14  -6.426   2.076   4.832
  100   2HB   ALA  14          2HB       ALA  14  -6.035   2.919   3.333
  101   3HB   ALA  14          3HB       ALA  14  -7.710   2.507   3.702
  102    H    VAL  15           H        VAL  15  -9.213   4.948   4.009
  103    HA   VAL  15           HA       VAL  15  -8.312   6.416   1.731
  104    HB   VAL  15           HB       VAL  15 -11.009   6.455   3.092
  105   1HG1  VAL  15          1HG1      VAL  15 -10.103   7.563   0.444
  106   2HG1  VAL  15          2HG1      VAL  15 -10.827   8.439   1.792
  107   3HG1  VAL  15          3HG1      VAL  15 -11.796   7.298   0.862
  108   1HG2  VAL  15          1HG2      VAL  15 -10.622   5.119   0.492
  109   2HG2  VAL  15          2HG2      VAL  15 -11.624   4.660   1.869
  110   3HG2  VAL  15          3HG2      VAL  15  -9.893   4.330   1.891
  111    H    ARG  16           H        ARG  16  -9.456   7.342   4.966
  112    HA   ARG  16           HA       ARG  16  -9.004  10.147   4.405
  113   1HB   ARG  16          2HB       ARG  16 -10.891   9.269   5.855
  114   2HB   ARG  16          1HB       ARG  16  -9.673   8.915   7.073
  115   1HG   ARG  16          2HG       ARG  16  -9.311  11.598   6.226
  116   2HG   ARG  16          1HG       ARG  16 -11.023  11.355   6.573
  117   1HD   ARG  16          2HD       ARG  16 -10.668  11.116   8.782
  118   2HD   ARG  16          1HD       ARG  16  -9.192  10.182   8.544
  119    HE   ARG  16           HE       ARG  16  -8.814  12.926   7.887
  120   1HH1  ARG  16          2HH1      ARG  16  -9.037  10.712  10.576
  121   2HH1  ARG  16          1HH1      ARG  16  -8.075  11.695  11.628
  122   1HH2  ARG  16          1HH2      ARG  16  -7.548  14.220   9.269
  123   2HH2  ARG  16          2HH2      ARG  16  -7.228  13.687  10.885
  124    H    ARG  17           H        ARG  17  -7.226   7.523   5.551
  125    HA   ARG  17           HA       ARG  17  -5.392   9.020   7.191
  126   1HB   ARG  17          2HB       ARG  17  -5.895   6.666   7.694
  127   2HB   ARG  17          1HB       ARG  17  -5.234   6.186   6.137
  128   1HG   ARG  17          2HG       ARG  17  -3.047   6.661   6.786
  129   2HG   ARG  17          1HG       ARG  17  -3.568   7.666   8.139
  130   1HD   ARG  17          2HD       ARG  17  -4.626   5.498   9.051
  131   2HD   ARG  17          1HD       ARG  17  -3.581   4.678   7.893
  132    HE   ARG  17           HE       ARG  17  -2.193   6.551   9.574
  133   1HH1  ARG  17          2HH1      ARG  17  -3.359   3.272   9.298
  134   2HH1  ARG  17          1HH1      ARG  17  -2.211   2.637  10.428
  135   1HH2  ARG  17          1HH2      ARG  17  -0.683   5.716  11.060
  136   2HH2  ARG  17          2HH2      ARG  17  -0.693   4.024  11.430
  137    H    LEU  18           H        LEU  18  -5.325   7.465   4.005
  138    HA   LEU  18           HA       LEU  18  -2.687   8.242   3.326
  139   1HB   LEU  18          2HB       LEU  18  -5.028   7.127   1.918
  140   2HB   LEU  18          1HB       LEU  18  -3.812   7.919   0.930
  141    HG   LEU  18           HG       LEU  18  -3.435   5.514   1.074
  142   1HD1  LEU  18          1HD1      LEU  18  -1.274   6.807   2.687
  143   2HD1  LEU  18          2HD1      LEU  18  -1.572   7.303   1.025
  144   3HD1  LEU  18          3HD1      LEU  18  -1.138   5.633   1.381
  145   1HD2  LEU  18          1HD2      LEU  18  -3.522   4.347   2.974
  146   2HD2  LEU  18          2HD2      LEU  18  -4.238   5.788   3.692
  147   3HD2  LEU  18          3HD2      LEU  18  -2.505   5.506   3.826
  148    H    GLN  19           H        GLN  19  -5.824   9.621   2.804
  149    HA   GLN  19           HA       GLN  19  -4.886  11.814   1.207
  150   1HB   GLN  19          2HB       GLN  19  -7.433  10.718   1.976
  151   2HB   GLN  19          1HB       GLN  19  -7.432  12.458   2.213
  152   1HG   GLN  19          2HG       GLN  19  -6.427  11.302  -0.346
  153   2HG   GLN  19          1HG       GLN  19  -8.160  11.457  -0.061
  154   1HE2  GLN  19          1HE2      GLN  19  -8.618  13.040  -1.488
  155   2HE2  GLN  19          2HE2      GLN  19  -7.972  14.639  -1.410
  156    H    ALA  20           H        ALA  20  -5.092  11.234   4.587
  157    HA   ALA  20           HA       ALA  20  -5.654  13.655   5.730
  158   1HB   ALA  20          1HB       ALA  20  -4.572  12.918   7.627
  159   2HB   ALA  20          2HB       ALA  20  -3.263  12.163   6.718
  160   3HB   ALA  20          3HB       ALA  20  -4.852  11.399   6.775
  161    H    GLU  21           H        GLU  21  -4.007  15.237   6.747
  162    HA   GLU  21           HA       GLU  21  -2.394  16.219   4.575
  163   1HB   GLU  21          2HB       GLU  21  -2.608  17.533   7.263
  164   2HB   GLU  21          1HB       GLU  21  -2.251  18.285   5.715
  165   1HG   GLU  21          2HG       GLU  21  -4.513  17.986   4.982
  166   2HG   GLU  21          1HG       GLU  21  -4.899  17.045   6.421
  167    H    GLY  22           H        GLY  22  -1.796  13.949   6.485
  168   1HA   GLY  22          2HA       GLY  22   0.906  14.718   7.320
  169   2HA   GLY  22          1HA       GLY  22   0.055  13.260   7.815
  170    H    ASN  23           H        ASN  23  -0.671  13.375   4.712
  171    HA   ASN  23           HA       ASN  23   1.592  11.676   3.932
  172   1HB   ASN  23          2HB       ASN  23  -1.207  11.864   2.804
  173   2HB   ASN  23          1HB       ASN  23   0.040  10.757   2.243
  174   1HD2  ASN  23          1HD2      ASN  23  -1.577  11.728   5.252
  175   2HD2  ASN  23          2HD2      ASN  23  -1.701  10.132   5.898
  176    H    ALA  24           H        ALA  24   3.065  12.615   2.697
  177    HA   ALA  24           HA       ALA  24   2.254  14.826   0.961
  178   1HB   ALA  24          1HB       ALA  24   4.528  15.509   0.914
  179   2HB   ALA  24          2HB       ALA  24   5.065  13.983   1.616
  180   3HB   ALA  24          3HB       ALA  24   4.141  15.125   2.592
  181    H    THR  25           H        THR  25   1.237  12.973  -0.293
  182    HA   THR  25           HA       THR  25   1.136  11.629  -2.091
  183    HB   THR  25           HB       THR  25   2.649  12.273  -3.994
  184    HG1  THR  25           HG1      THR  25   3.545  14.328  -2.279
  185   1HG2  THR  25          1HG2      THR  25   1.591  14.294  -4.440
  186   2HG2  THR  25          2HG2      THR  25   1.489  14.725  -2.733
  187   3HG2  THR  25          3HG2      THR  25   0.467  13.443  -3.381
  188    H    GLY  26           H        GLY  26   1.706   9.622  -2.648
  189   1HA   GLY  26          2HA       GLY  26   3.152   7.799  -3.010
  190   2HA   GLY  26          1HA       GLY  26   4.451   8.703  -2.244
  191    H    ALA  27           H        ALA  27   2.401   9.375  -0.045
  192    HA   ALA  27           HA       ALA  27   3.214   7.628   1.904
  193   1HB   ALA  27          1HB       ALA  27   1.534   8.521   3.265
  194   2HB   ALA  27          2HB       ALA  27   0.430   8.752   1.909
  195   3HB   ALA  27          3HB       ALA  27   1.838   9.799   2.088
  196    H    PHE  28           H        PHE  28   2.837   5.532   2.303
  197    HA   PHE  28           HA       PHE  28   0.459   4.247   1.116
  198   1HB   PHE  28          2HB       PHE  28   3.140   4.031   0.274
  199   2HB   PHE  28          1HB       PHE  28   2.737   2.501   1.029
  200    HD1  PHE  28           HD1      PHE  28   3.325   3.411  -1.959
  201    HD2  PHE  28           HD2      PHE  28  -0.149   2.401   0.238
  202    HE1  PHE  28           HE1      PHE  28   2.258   2.624  -4.029
  203    HE2  PHE  28           HE2      PHE  28  -1.247   1.630  -1.824
  204    HZ   PHE  28           HZ       PHE  28  -0.035   1.721  -3.959
  205    H    LEU  29           H        LEU  29   0.041   2.098   2.008
  206    HA   LEU  29           HA       LEU  29   1.208   1.351   4.551
  207   1HB   LEU  29          2HB       LEU  29  -1.076   1.290   5.635
  208   2HB   LEU  29          1HB       LEU  29  -0.327   2.862   5.462
  209    HG   LEU  29           HG       LEU  29  -1.985   3.649   4.141
  210   1HD1  LEU  29          1HD1      LEU  29  -1.333   1.986   2.300
  211   2HD1  LEU  29          2HD1      LEU  29  -2.970   2.600   2.299
  212   3HD1  LEU  29          3HD1      LEU  29  -2.641   0.990   2.918
  213   1HD2  LEU  29          1HD2      LEU  29  -3.670   1.310   4.759
  214   2HD2  LEU  29          2HD2      LEU  29  -3.999   3.032   4.952
  215   3HD2  LEU  29          3HD2      LEU  29  -2.965   2.194   6.111
  216    H    ILE  30           H        ILE  30   0.844  -0.844   5.054
  217    HA   ILE  30           HA       ILE  30  -0.737  -2.265   3.011
  218    HB   ILE  30           HB       ILE  30   1.210  -3.779   4.658
  219   1HG1  ILE  30          2HG1      ILE  30   2.286  -1.585   3.680
  220   2HG1  ILE  30          1HG1      ILE  30   3.120  -3.120   3.510
  221   1HG2  ILE  30          1HG2      ILE  30   1.052  -4.258   1.795
  222   2HG2  ILE  30          2HG2      ILE  30  -0.519  -4.326   2.584
  223   3HG2  ILE  30          3HG2      ILE  30   0.793  -5.359   3.145
  224   1HD1  ILE  30          1HD1      ILE  30   1.374  -2.643   1.270
  225   2HD1  ILE  30          2HD1      ILE  30   3.110  -2.949   1.308
  226   3HD1  ILE  30          3HD1      ILE  30   2.501  -1.309   1.509
  227    H    ARG  31           H        ARG  31  -2.570  -3.101   3.645
  228    HA   ARG  31           HA       ARG  31  -2.829  -3.934   6.458
  229   1HB   ARG  31          2HB       ARG  31  -5.166  -3.301   6.384
  230   2HB   ARG  31          1HB       ARG  31  -4.193  -1.927   5.873
  231   1HG   ARG  31          2HG       ARG  31  -4.640  -2.905   3.491
  232   2HG   ARG  31          1HG       ARG  31  -6.018  -3.653   4.294
  233   1HD   ARG  31          2HD       ARG  31  -7.002  -1.613   4.782
  234   2HD   ARG  31          1HD       ARG  31  -5.480  -0.735   4.660
  235    HE   ARG  31           HE       ARG  31  -5.632  -1.059   2.229
  236   1HH1  ARG  31          2HH1      ARG  31  -8.560  -1.364   4.121
  237   2HH1  ARG  31          1HH1      ARG  31  -9.599  -1.041   2.777
  238   1HH2  ARG  31          1HH2      ARG  31  -7.008  -0.645   0.473
  239   2HH2  ARG  31          2HH2      ARG  31  -8.723  -0.629   0.713
  240    H    VAL  32           H        VAL  32  -4.931  -5.457   6.573
  241    HA   VAL  32           HA       VAL  32  -4.290  -7.659   4.794
  242    HB   VAL  32           HB       VAL  32  -5.765  -9.013   6.199
  243   1HG1  VAL  32          1HG1      VAL  32  -3.901  -9.270   7.384
  244   2HG1  VAL  32          2HG1      VAL  32  -4.496  -8.021   8.476
  245   3HG1  VAL  32          3HG1      VAL  32  -3.437  -7.588   7.133
  246   1HG2  VAL  32          1HG2      VAL  32  -6.527  -6.351   7.301
  247   2HG2  VAL  32          2HG2      VAL  32  -6.554  -7.754   8.369
  248   3HG2  VAL  32          3HG2      VAL  32  -7.539  -7.740   6.906
  249    H    SER  33           H        SER  33  -5.600  -8.557   3.304
  250    HA   SER  33           HA       SER  33  -7.378  -6.990   1.890
  251   1HB   SER  33          2HB       SER  33  -8.204  -9.468   1.182
  252   2HB   SER  33          1HB       SER  33  -6.724  -8.723   0.576
  253    HG   SER  33           HG       SER  33  -6.944 -10.478   2.797
  254    H    GLU  34           H        GLU  34  -8.962  -6.034   3.149
  255    HA   GLU  34           HA       GLU  34 -10.622  -7.367   4.969
  256   1HB   GLU  34          2HB       GLU  34 -12.208  -5.408   4.502
  257   2HB   GLU  34          1HB       GLU  34 -10.611  -5.022   5.128
  258   1HG   GLU  34          2HG       GLU  34 -10.028  -3.898   3.290
  259   2HG   GLU  34          1HG       GLU  34 -10.753  -5.090   2.212
  260    H    LYS  35           H        LYS  35 -10.590  -7.294   1.572
  261    HA   LYS  35           HA       LYS  35 -13.188  -8.668   1.464
  262   1HB   LYS  35          2HB       LYS  35 -12.263  -7.745  -1.126
  263   2HB   LYS  35          1HB       LYS  35 -13.794  -7.455  -0.318
  264   1HG   LYS  35          2HG       LYS  35 -13.000  -5.516   0.736
  265   2HG   LYS  35          1HG       LYS  35 -11.317  -5.915   0.385
  266   1HD   LYS  35          2HD       LYS  35 -12.140  -4.129  -1.074
  267   2HD   LYS  35          1HD       LYS  35 -11.718  -5.574  -1.994
  268   1HE   LYS  35          2HE       LYS  35 -14.510  -5.451  -1.092
  269   2HE   LYS  35          1HE       LYS  35 -14.049  -4.201  -2.247
  270   1HZ   LYS  35          1HZ       LYS  35 -13.729  -5.707  -3.891
  271   2HZ   LYS  35          2HZ       LYS  35 -14.882  -6.573  -3.005
  272   3HZ   LYS  35          3HZ       LYS  35 -13.240  -6.943  -2.843
  273    HA   PRO  36           HA       PRO  36 -10.242 -11.025  -1.657
  274   1HB   PRO  36          2HB       PRO  36  -7.603 -10.079  -0.676
  275   2HB   PRO  36          1HB       PRO  36  -8.148 -10.374  -2.328
  276   1HG   PRO  36          2HG       PRO  36  -7.838  -7.893  -1.422
  277   2HG   PRO  36          1HG       PRO  36  -9.183  -8.312  -2.501
  278   1HD   PRO  36          2HD       PRO  36  -9.184  -7.893   0.461
  279   2HD   PRO  36          1HD       PRO  36 -10.377  -7.384  -0.749
  280    H    SER  37           H        SER  37  -8.438 -12.758  -1.173
  281    HA   SER  37           HA       SER  37  -8.555 -13.468   1.684
  282   1HB   SER  37          2HB       SER  37 -10.040 -14.754  -0.179
  283   2HB   SER  37          1HB       SER  37  -8.556 -15.706  -0.252
  284    HG   SER  37           HG       SER  37 -10.345 -15.348   1.876
  285    H    ALA  38           H        ALA  38  -6.734 -14.308   2.575
  286    HA   ALA  38           HA       ALA  38  -4.494 -14.648   2.837
  287   1HB   ALA  38          1HB       ALA  38  -5.466 -16.630   1.292
  288   2HB   ALA  38          2HB       ALA  38  -3.798 -16.555   1.858
  289   3HB   ALA  38          3HB       ALA  38  -4.204 -15.998   0.235
  290    H    ASP  39           H        ASP  39  -5.071 -12.149   1.772
  291    HA   ASP  39           HA       ASP  39  -2.622 -11.640   0.258
  292   1HB   ASP  39          2HB       ASP  39  -5.399 -10.813  -0.584
  293   2HB   ASP  39          1HB       ASP  39  -3.955 -10.008  -1.184
  294    H    TYR  40           H        TYR  40  -2.742  -8.985  -0.125
  295    HA   TYR  40           HA       TYR  40  -3.583  -7.710   2.365
  296   1HB   TYR  40          2HB       TYR  40  -0.765  -8.210   1.596
  297   2HB   TYR  40          1HB       TYR  40  -1.113  -6.523   1.966
  298    HD1  TYR  40           HD1      TYR  40  -0.852  -5.845   4.160
  299    HD2  TYR  40           HD2      TYR  40  -1.821  -9.911   3.376
  300    HE1  TYR  40           HE1      TYR  40  -0.683  -6.343   6.564
  301    HE2  TYR  40           HE2      TYR  40  -1.658 -10.422   5.777
  302    HH   TYR  40           HH       TYR  40  -1.820  -8.312   8.118
  303    H    VAL  41           H        VAL  41  -4.138  -5.614   2.105
  304    HA   VAL  41           HA       VAL  41  -4.036  -4.698  -0.686
  305    HB   VAL  41           HB       VAL  41  -5.900  -3.090   0.112
  306   1HG1  VAL  41          1HG1      VAL  41  -6.047  -6.010  -0.506
  307   2HG1  VAL  41          2HG1      VAL  41  -6.553  -4.625  -1.474
  308   3HG1  VAL  41          3HG1      VAL  41  -7.537  -5.153  -0.108
  309   1HG2  VAL  41          1HG2      VAL  41  -5.384  -4.420   2.527
  310   2HG2  VAL  41          2HG2      VAL  41  -6.910  -5.087   1.954
  311   3HG2  VAL  41          3HG2      VAL  41  -6.736  -3.347   2.176
  312    H    LEU  42           H        LEU  42  -2.973  -2.956  -1.203
  313    HA   LEU  42           HA       LEU  42  -1.853  -1.351   0.973
  314   1HB   LEU  42          2HB       LEU  42  -0.183  -2.545  -0.266
  315   2HB   LEU  42          1HB       LEU  42  -0.823  -1.953  -1.786
  316    HG   LEU  42           HG       LEU  42  -0.162   0.296  -1.203
  317   1HD1  LEU  42          1HD1      LEU  42  -0.194   0.661   1.005
  318   2HD1  LEU  42          2HD1      LEU  42   1.518   0.278   0.861
  319   3HD1  LEU  42          3HD1      LEU  42   0.378  -0.957   1.396
  320   1HD2  LEU  42          1HD2      LEU  42   2.058  -1.699  -0.867
  321   2HD2  LEU  42          2HD2      LEU  42   2.260  -0.001  -1.298
  322   3HD2  LEU  42          3HD2      LEU  42   1.422  -1.097  -2.398
  323    H    SER  43           H        SER  43  -2.119   0.856   0.957
  324    HA   SER  43           HA       SER  43  -3.419   2.037  -1.388
  325   1HB   SER  43          2HB       SER  43  -5.279   2.565  -0.380
  326   2HB   SER  43          1HB       SER  43  -4.767   1.532   0.953
  327    HG   SER  43           HG       SER  43  -5.341   3.764   1.505
  328    H    VAL  44           H        VAL  44  -2.641   3.815  -2.108
  329    HA   VAL  44           HA       VAL  44  -0.706   5.300  -0.415
  330    HB   VAL  44           HB       VAL  44   0.049   4.072  -2.555
  331   1HG1  VAL  44          1HG1      VAL  44  -1.498   4.778  -4.164
  332   2HG1  VAL  44          2HG1      VAL  44   0.006   5.606  -4.554
  333   3HG1  VAL  44          3HG1      VAL  44  -1.289   6.469  -3.739
  334   1HG2  VAL  44          1HG2      VAL  44   0.800   6.846  -1.763
  335   2HG2  VAL  44          2HG2      VAL  44   1.636   6.009  -3.070
  336   3HG2  VAL  44          3HG2      VAL  44   1.642   5.334  -1.442
  337    H    ARG  45           H        ARG  45  -0.562   7.575  -0.655
  338    HA   ARG  45           HA       ARG  45  -3.078   8.862  -1.319
  339   1HB   ARG  45          2HB       ARG  45  -1.590   9.572   0.642
  340   2HB   ARG  45          1HB       ARG  45  -0.486  10.224  -0.561
  341   1HG   ARG  45          2HG       ARG  45  -2.461  11.571  -1.418
  342   2HG   ARG  45          1HG       ARG  45  -3.277  11.114   0.077
  343   1HD   ARG  45          2HD       ARG  45  -2.143  12.629   1.251
  344   2HD   ARG  45          1HD       ARG  45  -0.602  12.078   0.594
  345    HE   ARG  45           HE       ARG  45  -0.665  13.797  -0.923
  346   1HH1  ARG  45          2HH1      ARG  45  -3.811  13.464   0.557
  347   2HH1  ARG  45          1HH1      ARG  45  -4.429  14.924  -0.136
  348   1HH2  ARG  45          1HH2      ARG  45  -1.479  15.719  -1.834
  349   2HH2  ARG  45          2HH2      ARG  45  -3.106  16.206  -1.493
  350    H    ASP  46           H        ASP  46  -0.380   7.755  -2.863
  351    HA   ASP  46           HA       ASP  46   0.717   8.206  -4.838
  352   1HB   ASP  46          2HB       ASP  46  -0.870   8.675  -6.736
  353   2HB   ASP  46          1HB       ASP  46  -1.320   7.303  -5.733
  354    H    THR  47           H        THR  47  -1.097  10.563  -6.350
  355    HA   THR  47           HA       THR  47   0.664  12.681  -5.321
  356    HB   THR  47           HB       THR  47   1.203  12.352  -7.602
  357    HG1  THR  47           HG1      THR  47   1.076  14.456  -7.617
  358   1HG2  THR  47          1HG2      THR  47  -0.598  10.984  -8.369
  359   2HG2  THR  47          2HG2      THR  47  -0.484  12.402  -9.409
  360   3HG2  THR  47          3HG2      THR  47  -1.745  12.310  -8.181
  361    H    GLN  48           H        GLN  48  -2.437  11.565  -5.248
  362    HA   GLN  48           HA       GLN  48  -3.512  13.736  -3.890
  363   1HB   GLN  48          2HB       GLN  48  -3.744  13.889  -6.813
  364   2HB   GLN  48          1HB       GLN  48  -5.288  14.016  -5.980
  365   1HG   GLN  48          2HG       GLN  48  -3.829  15.721  -4.506
  366   2HG   GLN  48          1HG       GLN  48  -3.017  15.886  -6.062
  367   1HE2  GLN  48          1HE2      GLN  48  -4.187  18.069  -5.147
  368   2HE2  GLN  48          2HE2      GLN  48  -5.656  18.411  -5.991
  369    H    ALA  49           H        ALA  49  -5.470  13.171  -2.949
  370    HA   ALA  49           HA       ALA  49  -7.151  11.792  -2.253
  371   1HB   ALA  49          1HB       ALA  49  -8.560  11.473  -3.942
  372   2HB   ALA  49          2HB       ALA  49  -7.591  10.105  -4.491
  373   3HB   ALA  49          3HB       ALA  49  -7.252  11.726  -5.096
  374    H    VAL  50           H        VAL  50  -7.734   9.162  -2.547
  375    HA   VAL  50           HA       VAL  50  -5.176   7.857  -1.881
  376    HB   VAL  50           HB       VAL  50  -7.926   7.192  -0.814
  377   1HG1  VAL  50          1HG1      VAL  50  -5.242   5.920  -0.253
  378   2HG1  VAL  50          2HG1      VAL  50  -6.598   5.173  -1.098
  379   3HG1  VAL  50          3HG1      VAL  50  -6.737   5.570   0.614
  380   1HG2  VAL  50          1HG2      VAL  50  -6.689   7.779   1.368
  381   2HG2  VAL  50          2HG2      VAL  50  -7.242   9.094   0.332
  382   3HG2  VAL  50          3HG2      VAL  50  -5.545   8.613   0.318
  383    H    ARG  51           H        ARG  51  -4.640   5.980  -2.773
  384    HA   ARG  51           HA       ARG  51  -6.539   4.730  -4.641
  385   1HB   ARG  51          2HB       ARG  51  -3.550   5.010  -5.013
  386   2HB   ARG  51          1HB       ARG  51  -4.651   4.189  -6.109
  387   1HG   ARG  51          2HG       ARG  51  -5.839   6.509  -6.190
  388   2HG   ARG  51          1HG       ARG  51  -4.279   7.099  -5.623
  389   1HD   ARG  51          2HD       ARG  51  -3.421   6.937  -7.663
  390   2HD   ARG  51          1HD       ARG  51  -3.878   5.237  -7.760
  391    HE   ARG  51           HE       ARG  51  -5.264   7.486  -8.916
  392   1HH1  ARG  51          2HH1      ARG  51  -5.527   4.163  -7.878
  393   2HH1  ARG  51          1HH1      ARG  51  -6.879   3.821  -8.903
  394   1HH2  ARG  51          1HH2      ARG  51  -7.043   7.035 -10.262
  395   2HH2  ARG  51          2HH2      ARG  51  -7.740   5.449 -10.256
  396    H    HIS  52           H        HIS  52  -7.085   2.827  -3.778
  397    HA   HIS  52           HA       HIS  52  -5.209   1.464  -2.026
  398   1HB   HIS  52          2HB       HIS  52  -8.073   0.782  -2.781
  399   2HB   HIS  52          1HB       HIS  52  -7.117  -0.042  -1.544
  400    HD1  HIS  52           HD1      HIS  52  -6.622   1.241   0.617
  401    HD2  HIS  52           HD2      HIS  52  -9.039   3.309  -2.041
  402    HE1  HIS  52           HE1      HIS  52  -7.306   3.313   1.820
  403    HE2  HIS  52           HE2      HIS  52  -8.693   4.605   0.170
  404    H    TYR  53           H        TYR  53  -4.936  -0.954  -2.301
  405    HA   TYR  53           HA       TYR  53  -5.177  -1.906  -5.033
  406   1HB   TYR  53          2HB       TYR  53  -2.448  -1.665  -3.771
  407   2HB   TYR  53          1HB       TYR  53  -2.825  -2.213  -5.401
  408    HD1  TYR  53           HD1      TYR  53  -3.727  -0.573  -7.050
  409    HD2  TYR  53           HD2      TYR  53  -2.182   0.646  -3.283
  410    HE1  TYR  53           HE1      TYR  53  -3.464   1.714  -7.912
  411    HE2  TYR  53           HE2      TYR  53  -1.923   2.932  -4.127
  412    HH   TYR  53           HH       TYR  53  -2.522   3.739  -7.508
  413    H    LYS  54           H        LYS  54  -5.343  -4.044  -5.151
  414    HA   LYS  54           HA       LYS  54  -5.232  -5.599  -2.713
  415   1HB   LYS  54          2HB       LYS  54  -7.027  -5.765  -4.571
  416   2HB   LYS  54          1HB       LYS  54  -5.816  -6.670  -5.466
  417   1HG   LYS  54          2HG       LYS  54  -5.981  -7.746  -2.839
  418   2HG   LYS  54          1HG       LYS  54  -7.610  -7.601  -3.498
  419   1HD   LYS  54          2HD       LYS  54  -5.287  -8.952  -4.865
  420   2HD   LYS  54          1HD       LYS  54  -6.591  -9.778  -4.010
  421   1HE   LYS  54          2HE       LYS  54  -7.139  -7.891  -6.280
  422   2HE   LYS  54          1HE       LYS  54  -6.755  -9.588  -6.562
  423   1HZ   LYS  54          1HZ       LYS  54  -9.042  -9.592  -6.459
  424   2HZ   LYS  54          2HZ       LYS  54  -9.113  -8.418  -5.243
  425   3HZ   LYS  54          3HZ       LYS  54  -8.636  -9.998  -4.867
  426    H    ILE  55           H        ILE  55  -3.243  -6.227  -2.105
  427    HA   ILE  55           HA       ILE  55  -1.224  -6.859  -4.103
  428    HB   ILE  55           HB       ILE  55  -0.779  -7.315  -1.197
  429   1HG1  ILE  55          2HG1      ILE  55  -0.322  -4.550  -2.224
  430   2HG1  ILE  55          1HG1      ILE  55  -1.945  -4.982  -1.702
  431   1HG2  ILE  55          1HG2      ILE  55   1.221  -5.835  -2.657
  432   2HG2  ILE  55          2HG2      ILE  55   0.811  -7.357  -3.444
  433   3HG2  ILE  55          3HG2      ILE  55   1.361  -7.350  -1.768
  434   1HD1  ILE  55          1HD1      ILE  55   0.393  -4.358  -0.139
  435   2HD1  ILE  55          2HD1      ILE  55  -0.315  -5.901   0.332
  436   3HD1  ILE  55          3HD1      ILE  55  -1.301  -4.438   0.343
  437    H    TRP  56           H        TRP  56  -1.583  -8.756  -5.044
  438    HA   TRP  56           HA       TRP  56  -2.779 -10.941  -3.593
  439   1HB   TRP  56          2HB       TRP  56  -3.322 -10.367  -5.970
  440   2HB   TRP  56          1HB       TRP  56  -1.722 -10.945  -6.418
  441    HD1  TRP  56           HD1      TRP  56  -1.264 -13.639  -5.910
  442    HE1  TRP  56           HE1      TRP  56  -2.907 -15.615  -6.066
  443    HE3  TRP  56           HE3      TRP  56  -5.667 -11.049  -5.709
  444    HZ2  TRP  56           HZ2      TRP  56  -5.701 -16.020  -6.100
  445    HZ3  TRP  56           HZ3      TRP  56  -7.780 -12.305  -5.810
  446    HH2  TRP  56           HH2      TRP  56  -7.795 -14.739  -6.003
  447    H    ARG  57           H        ARG  57  -1.835 -12.619  -2.706
  448    HA   ARG  57           HA       ARG  57   1.054 -12.766  -2.704
  449   1HB   ARG  57          2HB       ARG  57  -0.602 -13.032  -0.682
  450   2HB   ARG  57          1HB       ARG  57  -0.689 -14.699  -1.234
  451   1HG   ARG  57          2HG       ARG  57   1.850 -14.710  -1.111
  452   2HG   ARG  57          1HG       ARG  57   1.699 -13.198  -0.215
  453   1HD   ARG  57          2HD       ARG  57   0.366 -15.794   0.548
  454   2HD   ARG  57          1HD       ARG  57   1.873 -15.198   1.242
  455    HE   ARG  57           HE       ARG  57   0.173 -13.151   1.669
  456   1HH1  ARG  57          2HH1      ARG  57  -0.042 -16.572   2.327
  457   2HH1  ARG  57          1HH1      ARG  57  -1.056 -16.368   3.715
  458   1HH2  ARG  57          1HH2      ARG  57  -1.161 -12.880   3.494
  459   2HH2  ARG  57          2HH2      ARG  57  -1.693 -14.272   4.378
  460    H    ARG  58           H        ARG  58   2.203 -14.756  -3.054
  461    HA   ARG  58           HA       ARG  58   1.128 -16.215  -5.322
  462   1HB   ARG  58          2HB       ARG  58   3.807 -15.766  -4.135
  463   2HB   ARG  58          1HB       ARG  58   3.569 -17.274  -5.004
  464   1HG   ARG  58          2HG       ARG  58   2.632 -14.841  -6.374
  465   2HG   ARG  58          1HG       ARG  58   4.378 -14.992  -6.161
  466   1HD   ARG  58          2HD       ARG  58   4.451 -16.384  -7.887
  467   2HD   ARG  58          1HD       ARG  58   3.422 -17.512  -7.005
  468    HE   ARG  58           HE       ARG  58   1.719 -15.642  -8.083
  469   1HH1  ARG  58          2HH1      ARG  58   4.062 -17.916  -9.314
  470   2HH1  ARG  58          1HH1      ARG  58   3.236 -18.144 -10.818
  471   1HH2  ARG  58          1HH2      ARG  58   0.630 -15.941 -10.062
  472   2HH2  ARG  58          2HH2      ARG  58   1.288 -17.023 -11.244
  473    H    ALA  59           H        ALA  59   0.404 -16.631  -2.316
  474    HA   ALA  59           HA       ALA  59  -0.178 -18.369  -0.969
  475   1HB   ALA  59          1HB       ALA  59  -1.284 -20.044  -2.010
  476   2HB   ALA  59          2HB       ALA  59   0.048 -20.384  -3.115
  477   3HB   ALA  59          3HB       ALA  59  -1.032 -19.026  -3.428
  478    H    GLY  60           H        GLY  60   2.394 -17.773  -0.629
  479   1HA   GLY  60          2HA       GLY  60   3.529 -20.026   0.506
  480   2HA   GLY  60          1HA       GLY  60   4.207 -19.913  -1.111
  481    H    GLY  61           H        GLY  61   4.152 -17.000  -1.165
  482   1HA   GLY  61          2HA       GLY  61   5.279 -15.556   0.781
  483   2HA   GLY  61          1HA       GLY  61   6.628 -16.572   0.298
  484    H    ARG  62           H        ARG  62   4.252 -14.257  -0.949
  485    HA   ARG  62           HA       ARG  62   6.134 -12.697  -2.302
  486   1HB   ARG  62          2HB       ARG  62   5.800 -15.011  -3.682
  487   2HB   ARG  62          1HB       ARG  62   4.556 -14.010  -4.418
  488   1HG   ARG  62          2HG       ARG  62   6.198 -12.340  -5.012
  489   2HG   ARG  62          1HG       ARG  62   7.462 -13.257  -4.190
  490   1HD   ARG  62          2HD       ARG  62   6.490 -15.146  -5.854
  491   2HD   ARG  62          1HD       ARG  62   6.196 -13.698  -6.814
  492    HE   ARG  62           HE       ARG  62   8.853 -13.845  -5.728
  493   1HH1  ARG  62          2HH1      ARG  62   6.793 -14.777  -8.386
  494   2HH1  ARG  62          1HH1      ARG  62   8.104 -14.959  -9.502
  495   1HH2  ARG  62          1HH2      ARG  62  10.578 -14.084  -7.194
  496   2HH2  ARG  62          2HH2      ARG  62  10.254 -14.566  -8.826
  497    H    LEU  63           H        LEU  63   5.132 -11.034  -3.657
  498    HA   LEU  63           HA       LEU  63   2.239 -10.773  -3.358
  499   1HB   LEU  63          2HB       LEU  63   4.295  -8.883  -2.257
  500   2HB   LEU  63          1HB       LEU  63   2.747  -8.269  -2.803
  501    HG   LEU  63           HG       LEU  63   2.609  -8.587  -0.446
  502   1HD1  LEU  63          1HD1      LEU  63   0.710  -9.977  -0.279
  503   2HD1  LEU  63          2HD1      LEU  63   1.226 -10.974  -1.640
  504   3HD1  LEU  63          3HD1      LEU  63   0.689  -9.317  -1.915
  505   1HD2  LEU  63          1HD2      LEU  63   2.952 -11.455  -0.293
  506   2HD2  LEU  63          2HD2      LEU  63   3.690 -10.178   0.672
  507   3HD2  LEU  63          3HD2      LEU  63   4.417 -10.655  -0.861
  508    H    HIS  64           H        HIS  64   1.272  -9.521  -4.945
  509    HA   HIS  64           HA       HIS  64   2.892  -8.050  -6.801
  510   1HB   HIS  64          2HB       HIS  64   2.361  -9.307  -8.779
  511   2HB   HIS  64          1HB       HIS  64   3.093 -10.401  -7.612
  512    HD1  HIS  64           HD1      HIS  64  -0.116  -9.686  -9.379
  513    HD2  HIS  64           HD2      HIS  64   1.410 -12.423  -6.652
  514    HE1  HIS  64           HE1      HIS  64  -1.803 -11.546  -9.280
  515    HE2  HIS  64           HE2      HIS  64  -0.762 -13.271  -7.770
  516    H    LEU  65           H        LEU  65   1.729  -6.238  -6.572
  517    HA   LEU  65           HA       LEU  65  -1.016  -6.057  -6.169
  518   1HB   LEU  65          2HB       LEU  65   0.915  -4.120  -7.440
  519   2HB   LEU  65          1HB       LEU  65  -0.763  -3.718  -7.138
  520    HG   LEU  65           HG       LEU  65  -0.427  -3.974  -4.739
  521   1HD1  LEU  65          1HD1      LEU  65   1.880  -4.294  -3.873
  522   2HD1  LEU  65          2HD1      LEU  65   2.395  -4.691  -5.512
  523   3HD1  LEU  65          3HD1      LEU  65   1.222  -5.714  -4.684
  524   1HD2  LEU  65          1HD2      LEU  65   1.603  -2.217  -4.670
  525   2HD2  LEU  65          2HD2      LEU  65  -0.041  -1.786  -5.144
  526   3HD2  LEU  65          3HD2      LEU  65   1.174  -2.117  -6.378
  527    H    ASN  66           H        ASN  66   0.900  -6.380  -9.004
  528    HA   ASN  66           HA       ASN  66  -1.474  -6.864 -10.632
  529   1HB   ASN  66          2HB       ASN  66  -0.170  -4.500 -10.878
  530   2HB   ASN  66          1HB       ASN  66   0.746  -5.484 -12.016
  531   1HD2  ASN  66          1HD2      ASN  66  -2.631  -4.880 -11.104
  532   2HD2  ASN  66          2HD2      ASN  66  -3.232  -4.814 -12.722
  533    H    GLU  67           H        GLU  67  -0.570  -7.683 -12.921
  534    HA   GLU  67           HA       GLU  67   0.929 -10.057 -12.273
  535   1HB   GLU  67          2HB       GLU  67  -0.217  -9.074 -14.890
  536   2HB   GLU  67          1HB       GLU  67   0.536 -10.645 -14.658
  537   1HG   GLU  67          2HG       GLU  67  -1.825  -9.747 -13.042
  538   2HG   GLU  67          1HG       GLU  67  -1.995 -10.552 -14.601
  539    H    ALA  68           H        ALA  68   2.367  -7.483 -12.119
  540    HA   ALA  68           HA       ALA  68   4.640  -8.269 -13.744
  541   1HB   ALA  68          1HB       ALA  68   3.986  -6.797 -15.329
  542   2HB   ALA  68          2HB       ALA  68   4.816  -5.661 -14.266
  543   3HB   ALA  68          3HB       ALA  68   3.060  -5.813 -14.194
  544    H    VAL  69           H        VAL  69   3.547  -7.458 -10.771
  545    HA   VAL  69           HA       VAL  69   6.188  -6.385 -10.020
  546    HB   VAL  69           HB       VAL  69   5.168  -4.950  -8.322
  547   1HG1  VAL  69          1HG1      VAL  69   5.544  -3.588 -10.078
  548   2HG1  VAL  69          2HG1      VAL  69   3.782  -3.530 -10.136
  549   3HG1  VAL  69          3HG1      VAL  69   4.665  -4.620 -11.207
  550   1HG2  VAL  69          1HG2      VAL  69   2.939  -6.526  -8.619
  551   2HG2  VAL  69          2HG2      VAL  69   2.464  -5.024  -9.413
  552   3HG2  VAL  69          3HG2      VAL  69   3.011  -5.001  -7.735
  553    H    SER  70           H        SER  70   6.181  -8.916  -9.750
  554    HA   SER  70           HA       SER  70   4.946  -9.806  -7.291
  555   1HB   SER  70          2HB       SER  70   6.184 -11.961  -7.825
  556   2HB   SER  70          1HB       SER  70   5.005 -11.436  -9.026
  557    HG   SER  70           HG       SER  70   7.080 -12.098  -9.888
  558    H    PHE  71           H        PHE  71   5.943 -10.201  -5.357
  559    HA   PHE  71           HA       PHE  71   8.823 -10.070  -5.088
  560   1HB   PHE  71          2HB       PHE  71   7.110  -7.770  -4.483
  561   2HB   PHE  71          1HB       PHE  71   8.158  -8.243  -3.149
  562    HD1  PHE  71           HD1      PHE  71  10.562  -8.094  -3.343
  563    HD2  PHE  71           HD2      PHE  71   8.025  -6.934  -6.555
  564    HE1  PHE  71           HE1      PHE  71  12.456  -6.947  -4.417
  565    HE2  PHE  71           HE2      PHE  71   9.914  -5.787  -7.638
  566    HZ   PHE  71           HZ       PHE  71  12.132  -5.793  -6.569
  567    H    LEU  72           H        LEU  72   9.407 -11.490  -3.701
  568    HA   LEU  72           HA       LEU  72   8.121 -13.343  -2.356
  569   1HB   LEU  72          2HB       LEU  72   9.957 -13.173  -0.576
  570   2HB   LEU  72          1HB       LEU  72  10.430 -13.426  -2.248
  571    HG   LEU  72           HG       LEU  72  10.635 -10.820  -2.311
  572   1HD1  LEU  72          1HD1      LEU  72  10.023 -11.324   0.455
  573   2HD1  LEU  72          2HD1      LEU  72  10.210  -9.789  -0.391
  574   3HD1  LEU  72          3HD1      LEU  72  11.618 -10.588   0.308
  575   1HD2  LEU  72          1HD2      LEU  72  12.417 -12.836  -2.155
  576   2HD2  LEU  72          2HD2      LEU  72  12.812 -11.961  -0.676
  577   3HD2  LEU  72          3HD2      LEU  72  12.869 -11.133  -2.231
  578    H    SER  73           H        SER  73   8.305 -10.017  -1.144
  579    HA   SER  73           HA       SER  73   6.118 -10.569   0.651
  580   1HB   SER  73          2HB       SER  73   8.217 -11.215   1.913
  581   2HB   SER  73          1HB       SER  73   8.675  -9.512   1.854
  582    HG   SER  73           HG       SER  73   6.487 -10.713   3.170
  583    H    LEU  74           H        LEU  74   5.377  -8.590   1.805
  584    HA   LEU  74           HA       LEU  74   4.925  -6.491   0.073
  585   1HB   LEU  74          2HB       LEU  74   4.430  -7.034   2.860
  586   2HB   LEU  74          1HB       LEU  74   4.845  -5.347   2.625
  587    HG   LEU  74           HG       LEU  74   2.568  -5.298   2.423
  588   1HD1  LEU  74          1HD1      LEU  74   3.971  -4.747   0.179
  589   2HD1  LEU  74          2HD1      LEU  74   2.248  -4.437   0.371
  590   3HD1  LEU  74          3HD1      LEU  74   2.792  -5.904  -0.439
  591   1HD2  LEU  74          1HD2      LEU  74   2.878  -8.056   1.452
  592   2HD2  LEU  74          2HD2      LEU  74   1.517  -7.152   0.787
  593   3HD2  LEU  74          3HD2      LEU  74   1.670  -7.359   2.532
  594    HA   PRO  75           HA       PRO  75   8.356  -3.972   2.764
  595   1HB   PRO  75          2HB       PRO  75  10.333  -6.030   3.137
  596   2HB   PRO  75          1HB       PRO  75   9.521  -5.056   4.363
  597   1HG   PRO  75          2HG       PRO  75   8.919  -7.786   3.429
  598   2HG   PRO  75          1HG       PRO  75   8.511  -7.005   4.967
  599   1HD   PRO  75          2HD       PRO  75   6.648  -7.530   3.103
  600   2HD   PRO  75          1HD       PRO  75   6.564  -6.078   4.122
  601    H    GLU  76           H        GLU  76   9.478  -6.839   0.932
  602    HA   GLU  76           HA       GLU  76  11.445  -5.357  -0.497
  603   1HB   GLU  76          2HB       GLU  76  10.186  -8.022  -1.178
  604   2HB   GLU  76          1HB       GLU  76  11.645  -7.363  -1.903
  605   1HG   GLU  76          2HG       GLU  76  11.238  -8.331   0.905
  606   2HG   GLU  76          1HG       GLU  76  12.366  -8.925  -0.312
  607    H    LEU  77           H        LEU  77   8.146  -6.394  -1.180
  608    HA   LEU  77           HA       LEU  77   7.971  -5.597  -3.856
  609   1HB   LEU  77          2HB       LEU  77   6.194  -6.891  -3.004
  610   2HB   LEU  77          1HB       LEU  77   5.949  -5.816  -1.643
  611    HG   LEU  77           HG       LEU  77   5.458  -4.801  -4.414
  612   1HD1  LEU  77          1HD1      LEU  77   3.658  -6.042  -4.781
  613   2HD1  LEU  77          2HD1      LEU  77   3.065  -5.792  -3.140
  614   3HD1  LEU  77          3HD1      LEU  77   4.208  -7.091  -3.475
  615   1HD2  LEU  77          1HD2      LEU  77   3.529  -3.787  -2.833
  616   2HD2  LEU  77          2HD2      LEU  77   5.109  -3.035  -3.046
  617   3HD2  LEU  77          3HD2      LEU  77   4.798  -4.048  -1.636
  618    H    VAL  78           H        VAL  78   6.871  -3.826  -0.968
  619    HA   VAL  78           HA       VAL  78   6.258  -1.418  -2.168
  620    HB   VAL  78           HB       VAL  78   7.253  -2.049   0.609
  621   1HG1  VAL  78          1HG1      VAL  78   7.642   0.418  -0.362
  622   2HG1  VAL  78          2HG1      VAL  78   7.174   0.109   1.307
  623   3HG1  VAL  78          3HG1      VAL  78   5.955   0.558   0.120
  624   1HG2  VAL  78          1HG2      VAL  78   4.871  -1.425   1.150
  625   2HG2  VAL  78          2HG2      VAL  78   5.074  -2.892   0.192
  626   3HG2  VAL  78          3HG2      VAL  78   4.570  -1.392  -0.587
  627    H    ASN  79           H        ASN  79   9.364  -2.777  -1.335
  628    HA   ASN  79           HA       ASN  79  10.922  -0.430  -1.552
  629   1HB   ASN  79          2HB       ASN  79  11.400  -3.155  -1.046
  630   2HB   ASN  79          1HB       ASN  79  12.328  -2.783  -2.495
  631   1HD2  ASN  79          1HD2      ASN  79  13.506  -3.485  -0.089
  632   2HD2  ASN  79          2HD2      ASN  79  14.378  -2.126   0.525
  633    H    TYR  80           H        TYR  80   9.638  -2.722  -3.861
  634    HA   TYR  80           HA       TYR  80  11.064  -1.596  -6.110
  635   1HB   TYR  80          2HB       TYR  80  10.565  -3.929  -6.249
  636   2HB   TYR  80          1HB       TYR  80   8.873  -3.662  -5.850
  637    HD1  TYR  80           HD1      TYR  80  10.896  -1.767  -8.320
  638    HD2  TYR  80           HD2      TYR  80   7.807  -4.631  -7.715
  639    HE1  TYR  80           HE1      TYR  80  10.357  -1.684 -10.716
  640    HE2  TYR  80           HE2      TYR  80   7.263  -4.556 -10.111
  641    HH   TYR  80           HH       TYR  80   9.269  -3.228 -12.414
  642    H    HIS  81           H        HIS  81   8.035  -1.224  -4.479
  643    HA   HIS  81           HA       HIS  81   6.682   0.212  -6.543
  644   1HB   HIS  81          2HB       HIS  81   6.007  -0.920  -4.068
  645   2HB   HIS  81          1HB       HIS  81   5.743   0.807  -3.863
  646    HD1  HIS  81           HD1      HIS  81   3.233   0.831  -3.913
  647    HD2  HIS  81           HD2      HIS  81   4.882  -1.148  -7.170
  648    HE1  HIS  81           HE1      HIS  81   1.314   0.401  -5.479
  649    HE2  HIS  81           HE2      HIS  81   2.322  -0.875  -7.405
  650    H    ARG  82           H        ARG  82   8.885   1.023  -3.970
  651    HA   ARG  82           HA       ARG  82   8.312   3.805  -3.949
  652   1HB   ARG  82          2HB       ARG  82   9.443   2.352  -2.118
  653   2HB   ARG  82          1HB       ARG  82  10.914   2.667  -3.027
  654   1HG   ARG  82          2HG       ARG  82  11.055   4.784  -2.309
  655   2HG   ARG  82          1HG       ARG  82   9.316   5.051  -2.433
  656   1HD   ARG  82          2HD       ARG  82   9.794   5.196  -0.137
  657   2HD   ARG  82          1HD       ARG  82   9.101   3.591  -0.366
  658    HE   ARG  82           HE       ARG  82  11.995   3.747  -0.456
  659   1HH1  ARG  82          2HH1      ARG  82   9.158   3.125   1.483
  660   2HH1  ARG  82          1HH1      ARG  82  10.022   2.211   2.673
  661   1HH2  ARG  82          1HH2      ARG  82  13.129   2.550   1.111
  662   2HH2  ARG  82          2HH2      ARG  82  12.275   1.886   2.464
  663    H    ALA  83           H        ALA  83  10.912   1.906  -5.280
  664    HA   ALA  83           HA       ALA  83  12.192   4.108  -6.536
  665   1HB   ALA  83          1HB       ALA  83  13.071   1.684  -5.985
  666   2HB   ALA  83          2HB       ALA  83  13.709   2.588  -7.357
  667   3HB   ALA  83          3HB       ALA  83  12.488   1.342  -7.613
  668    H    GLN  84           H        GLN  84  10.427   1.371  -7.906
  669    HA   GLN  84           HA       GLN  84   9.763   2.965 -10.269
  670   1HB   GLN  84          2HB       GLN  84  10.147   0.103  -9.723
  671   2HB   GLN  84          1HB       GLN  84   8.799   0.465 -10.792
  672   1HG   GLN  84          2HG       GLN  84  10.423   0.301 -12.349
  673   2HG   GLN  84          1HG       GLN  84  10.632   2.003 -11.942
  674   1HE2  GLN  84          1HE2      GLN  84  12.775   2.145 -12.406
  675   2HE2  GLN  84          2HE2      GLN  84  14.005   1.313 -11.524
  676    H    SER  85           H        SER  85   7.710   3.471 -10.867
  677    HA   SER  85           HA       SER  85   5.583   2.964  -8.904
  678   1HB   SER  85          2HB       SER  85   4.373   4.760  -9.959
  679   2HB   SER  85          1HB       SER  85   6.028   5.307  -9.698
  680    HG   SER  85           HG       SER  85   4.917   4.351 -12.129
  681    H    LEU  86           H        LEU  86   6.508   0.836 -10.518
  682    HA   LEU  86           HA       LEU  86   5.468   0.145 -12.854
  683   1HB   LEU  86          2HB       LEU  86   6.655  -1.283 -11.047
  684   2HB   LEU  86          1HB       LEU  86   5.031  -1.747 -10.579
  685    HG   LEU  86           HG       LEU  86   6.099  -3.380 -12.093
  686   1HD1  LEU  86          1HD1      LEU  86   3.922  -2.237 -13.739
  687   2HD1  LEU  86          2HD1      LEU  86   3.544  -2.621 -12.060
  688   3HD1  LEU  86          3HD1      LEU  86   4.151  -3.878 -13.137
  689   1HD2  LEU  86          1HD2      LEU  86   6.607  -2.869 -14.349
  690   2HD2  LEU  86          2HD2      LEU  86   7.382  -1.625 -13.369
  691   3HD2  LEU  86          3HD2      LEU  86   5.882  -1.267 -14.223
  692    H    SER  87           H        SER  87   3.590   0.879 -13.626
  693    HA   SER  87           HA       SER  87   1.352   1.293 -13.844
  694   1HB   SER  87          2HB       SER  87   1.458  -1.031 -14.526
  695   2HB   SER  87          1HB       SER  87   1.339  -1.563 -12.848
  696    HG   SER  87           HG       SER  87  -0.699  -1.695 -13.618
  697    H    HIS  88           H        HIS  88   2.469   1.991 -11.172
  698    HA   HIS  88           HA       HIS  88   0.068   1.581  -9.537
  699   1HB   HIS  88          2HB       HIS  88   1.853   0.878  -8.221
  700   2HB   HIS  88          1HB       HIS  88   2.930   2.139  -8.813
  701    HD1  HIS  88           HD1      HIS  88  -0.212   1.850  -6.718
  702    HD2  HIS  88           HD2      HIS  88   3.147   4.261  -7.079
  703    HE1  HIS  88           HE1      HIS  88  -0.347   3.497  -4.842
  704    HE2  HIS  88           HE2      HIS  88   1.768   4.838  -4.984
  705    H    GLY  89           H        GLY  89  -0.772   3.363  -8.322
  706   1HA   GLY  89          2HA       GLY  89  -1.615   5.492  -9.732
  707   2HA   GLY  89          1HA       GLY  89  -1.435   5.539  -7.990
  708    H    LEU  90           H        LEU  90   1.384   5.561  -7.787
  709    HA   LEU  90           HA       LEU  90   2.331   7.753  -9.408
  710   1HB   LEU  90          2HB       LEU  90   1.088   8.981  -7.781
  711   2HB   LEU  90          1HB       LEU  90   1.789   8.048  -6.474
  712    HG   LEU  90           HG       LEU  90   4.042   9.098  -7.448
  713   1HD1  LEU  90          1HD1      LEU  90   3.495  10.486  -9.142
  714   2HD1  LEU  90          2HD1      LEU  90   3.184  11.610  -7.819
  715   3HD1  LEU  90          3HD1      LEU  90   1.848  10.727  -8.558
  716   1HD2  LEU  90          1HD2      LEU  90   2.455  10.977  -5.801
  717   2HD2  LEU  90          2HD2      LEU  90   4.076  10.332  -5.545
  718   3HD2  LEU  90          3HD2      LEU  90   2.664   9.340  -5.178
  719    H    ARG  91           H        ARG  91   3.088   6.426  -6.265
  720    HA   ARG  91           HA       ARG  91   5.132   4.737  -6.699
  721   1HB   ARG  91          2HB       ARG  91   6.383   6.282  -8.015
  722   2HB   ARG  91          1HB       ARG  91   6.145   7.578  -6.852
  723   1HG   ARG  91          2HG       ARG  91   7.550   6.335  -5.245
  724   2HG   ARG  91          1HG       ARG  91   7.838   5.117  -6.488
  725   1HD   ARG  91          2HD       ARG  91   9.404   6.365  -7.465
  726   2HD   ARG  91          1HD       ARG  91   8.359   7.785  -7.476
  727    HE   ARG  91           HE       ARG  91  10.446   7.189  -5.606
  728   1HH1  ARG  91          2HH1      ARG  91   7.419   8.873  -6.031
  729   2HH1  ARG  91          1HH1      ARG  91   7.739  10.023  -4.777
  730   1HH2  ARG  91          1HH2      ARG  91  10.868   8.701  -3.955
  731   2HH2  ARG  91          2HH2      ARG  91   9.697   9.926  -3.598
  732    H    LEU  92           H        LEU  92   6.073   4.034  -4.794
  733    HA   LEU  92           HA       LEU  92   4.877   4.723  -2.355
  734   1HB   LEU  92          2HB       LEU  92   6.536   2.734  -3.246
  735   2HB   LEU  92          1HB       LEU  92   7.566   3.607  -2.131
  736    HG   LEU  92           HG       LEU  92   6.664   2.084  -0.707
  737   1HD1  LEU  92          1HD1      LEU  92   4.589   4.264  -0.703
  738   2HD1  LEU  92          2HD1      LEU  92   6.078   4.215   0.236
  739   3HD1  LEU  92          3HD1      LEU  92   4.788   3.061   0.570
  740   1HD2  LEU  92          1HD2      LEU  92   4.043   1.605  -0.989
  741   2HD2  LEU  92          2HD2      LEU  92   5.287   0.693  -1.842
  742   3HD2  LEU  92          3HD2      LEU  92   4.450   2.013  -2.657
  743    H    ALA  93           H        ALA  93   5.644   5.959  -0.564
  744    HA   ALA  93           HA       ALA  93   8.057   7.558  -1.016
  745   1HB   ALA  93          1HB       ALA  93   6.345   9.016  -1.790
  746   2HB   ALA  93          2HB       ALA  93   6.853   9.593  -0.203
  747   3HB   ALA  93          3HB       ALA  93   5.347   8.695  -0.373
  748    H    ALA  94           H        ALA  94   5.568   7.990   1.464
  749    HA   ALA  94           HA       ALA  94   7.440   6.921   3.470
  750   1HB   ALA  94          1HB       ALA  94   6.977   9.598   3.109
  751   2HB   ALA  94          2HB       ALA  94   7.573   8.853   4.591
  752   3HB   ALA  94          3HB       ALA  94   5.851   9.185   4.403
  753    HA   PRO  95           HA       PRO  95   3.926   5.074   5.432
  754   1HB   PRO  95          2HB       PRO  95   4.049   5.678   8.050
  755   2HB   PRO  95          1HB       PRO  95   5.251   4.648   7.269
  756   1HG   PRO  95          2HG       PRO  95   5.425   7.531   8.020
  757   2HG   PRO  95          1HG       PRO  95   6.661   6.266   8.137
  758   1HD   PRO  95          2HD       PRO  95   6.540   8.136   6.127
  759   2HD   PRO  95          1HD       PRO  95   7.321   6.552   5.969
  760    H    CYS  96           H        CYS  96   1.778   5.355   5.811
  761    HA   CYS  96           HA       CYS  96   0.658   7.927   5.459
  762   1HB   CYS  96          2HB       CYS  96  -1.475   6.859   5.648
  763   2HB   CYS  96          1HB       CYS  96  -0.412   5.745   4.799
  764    HG   CYS  96           HG       CYS  96  -1.819   4.496   6.652
  765    H    ARG  97           H        ARG  97  -0.051   9.413   6.881
  766    HA   ARG  97           HA       ARG  97   0.222   8.763   9.743
  767   1HB   ARG  97          2HB       ARG  97   0.308  11.559   8.651
  768   2HB   ARG  97          1HB       ARG  97   0.938  10.953  10.176
  769   1HG   ARG  97          2HG       ARG  97   2.545   9.573   8.696
  770   2HG   ARG  97          1HG       ARG  97   2.097  10.720   7.432
  771   1HD   ARG  97          2HD       ARG  97   4.114  11.462   8.549
  772   2HD   ARG  97          1HD       ARG  97   2.789  12.573   8.890
  773    HE   ARG  97           HE       ARG  97   3.013  12.066  11.099
  774   1HH1  ARG  97          2HH1      ARG  97   4.462   9.496   9.237
  775   2HH1  ARG  97          1HH1      ARG  97   5.069   8.660  10.629
  776   1HH2  ARG  97          1HH2      ARG  97   3.809  10.969  12.930
  777   2HH2  ARG  97          2HH2      ARG  97   4.696   9.497  12.725
  778    H    LYS  98           H        LYS  98  -1.065  10.696  10.988
  779    HA   LYS  98           HA       LYS  98  -3.658  11.198   9.810
  780   1HB   LYS  98          2HB       LYS  98  -3.252   8.890  11.421
  781   2HB   LYS  98          1HB       LYS  98  -4.214  10.024  12.358
  782   1HG   LYS  98          2HG       LYS  98  -6.021   9.771  11.053
  783   2HG   LYS  98          1HG       LYS  98  -5.069   9.684   9.569
  784   1HD   LYS  98          2HD       LYS  98  -6.131   7.562   9.899
  785   2HD   LYS  98          1HD       LYS  98  -4.406   7.367  10.216
  786   1HE   LYS  98          2HE       LYS  98  -5.161   7.902  12.689
  787   2HE   LYS  98          1HE       LYS  98  -6.710   7.303  12.099
  788   1HZ   LYS  98          1HZ       LYS  98  -5.931   5.207  11.907
  789   2HZ   LYS  98          2HZ       LYS  98  -4.853   5.721  13.104
  790   3HZ   LYS  98          3HZ       LYS  98  -4.365   5.688  11.485
  791    H    HIS  99           H        HIS  99  -2.328  10.977  13.112
  792    HA   HIS  99           HA       HIS  99  -2.175  12.498  14.795
  793   1HB   HIS  99          2HB       HIS  99  -1.202  13.765  12.457
  794   2HB   HIS  99          1HB       HIS  99  -2.163  14.962  13.320
  795    HD1  HIS  99           HD1      HIS  99   0.058  12.300  14.856
  796    HD2  HIS  99           HD2      HIS  99  -0.198  16.432  14.507
  797    HE1  HIS  99           HE1      HIS  99   1.878  13.212  16.331
  798    HE2  HIS  99           HE2      HIS  99   1.643  15.716  16.177
  799    H    GLU 100           HN       GLU 100  -4.149  12.324  15.766
  800    HA   GLU 100           HA       GLU 100  -6.238  14.196  14.863
  801   1HB   GLU 100          2HB       GLU 100  -6.336  11.398  15.600
  802   2HB   GLU 100          1HB       GLU 100  -7.417  12.349  16.610
  803   1HG   GLU 100          2HG       GLU 100  -7.501  12.865  13.701
  804   2HG   GLU 100          1HG       GLU 100  -8.146  11.324  14.267
  Start of MODEL   12
    1   1H    SER   1          1H        SER   1   4.596  10.700  10.437
    2   2H    SER   1          2H        SER   1   4.781   9.412  11.557
    3   3H    SER   1          3H        SER   1   3.260   9.694  10.811
    4    HA   SER   1           HA       SER   1   4.093   9.094   8.714
    5   1HB   SER   1          2HB       SER   1   6.609   8.051   9.094
    6   2HB   SER   1          1HB       SER   1   6.271   9.643   8.415
    7    HG   SER   1           HG       SER   1   7.277   8.946  10.893
    8    H    GLU   2           H        GLU   2   3.013   7.241   8.495
    9    HA   GLU   2           HA       GLU   2   3.868   4.932  10.092
   10   1HB   GLU   2          2HB       GLU   2   0.994   5.735   9.621
   11   2HB   GLU   2          1HB       GLU   2   1.526   4.267  10.427
   12   1HG   GLU   2          2HG       GLU   2   2.591   6.761  11.549
   13   2HG   GLU   2          1HG       GLU   2   0.848   6.550  11.694
   14    HA   PRO   3           HA       PRO   3   3.466   3.560   5.689
   15   1HB   PRO   3          2HB       PRO   3   5.899   2.463   5.466
   16   2HB   PRO   3          1HB       PRO   3   5.676   4.208   5.321
   17   1HG   PRO   3          2HG       PRO   3   6.739   2.612   7.603
   18   2HG   PRO   3          1HG       PRO   3   7.234   4.212   7.026
   19   1HD   PRO   3          2HD       PRO   3   5.547   3.707   9.195
   20   2HD   PRO   3          1HD       PRO   3   5.719   5.260   8.357
   21    H    TRP   4           H        TRP   4   4.047   2.239   8.757
   22    HA   TRP   4           HA       TRP   4   4.600  -0.391   8.568
   23   1HB   TRP   4          2HB       TRP   4   3.200   1.328  10.445
   24   2HB   TRP   4          1HB       TRP   4   2.613  -0.330  10.499
   25    HD1  TRP   4           HD1      TRP   4   3.765  -1.489  12.466
   26    HE1  TRP   4           HE1      TRP   4   6.167  -1.625  13.383
   27    HE3  TRP   4           HE3      TRP   4   6.045   1.778   9.262
   28    HZ2  TRP   4           HZ2      TRP   4   8.693  -0.497  12.822
   29    HZ3  TRP   4           HZ3      TRP   4   8.456   2.195   9.520
   30    HH2  TRP   4           HH2      TRP   4   9.751   1.081  11.264
   31    H    PHE   5           H        PHE   5   2.792  -2.032   9.463
   32    HA   PHE   5           HA       PHE   5   0.833  -2.282   7.283
   33   1HB   PHE   5          2HB       PHE   5   2.167  -4.390   8.997
   34   2HB   PHE   5          1HB       PHE   5   0.899  -4.724   7.826
   35    HD1  PHE   5           HD1      PHE   5   3.977  -2.602   7.660
   36    HD2  PHE   5           HD2      PHE   5   1.786  -5.891   6.081
   37    HE1  PHE   5           HE1      PHE   5   5.670  -2.880   5.901
   38    HE2  PHE   5           HE2      PHE   5   3.476  -6.175   4.323
   39    HZ   PHE   5           HZ       PHE   5   5.424  -4.670   4.229
   40    H    PHE   6           H        PHE   6  -1.278  -2.436   7.759
   41    HA   PHE   6           HA       PHE   6  -2.074  -2.879  10.553
   42   1HB   PHE   6          2HB       PHE   6  -2.764  -0.615   8.748
   43   2HB   PHE   6          1HB       PHE   6  -4.057  -1.261   9.752
   44    HD1  PHE   6           HD1      PHE   6  -0.844   0.486   9.742
   45    HD2  PHE   6           HD2      PHE   6  -4.021  -1.010  12.147
   46    HE1  PHE   6           HE1      PHE   6  -0.023   1.813  11.646
   47    HE2  PHE   6           HE2      PHE   6  -3.207   0.315  14.053
   48    HZ   PHE   6           HZ       PHE   6  -1.206   1.728  13.805
   49    H    GLY   7           H        GLY   7  -2.843  -4.930  10.331
   50   1HA   GLY   7          2HA       GLY   7  -4.374  -5.701   8.014
   51   2HA   GLY   7          1HA       GLY   7  -3.970  -6.719   9.387
   52    H    CYS   8           H        CYS   8  -5.305  -3.745  10.336
   53    HA   CYS   8           HA       CYS   8  -7.951  -4.968  10.468
   54   1HB   CYS   8          2HB       CYS   8  -6.234  -4.317  12.648
   55   2HB   CYS   8          1HB       CYS   8  -7.643  -3.264  12.721
   56    HG   CYS   8           HG       CYS   8  -9.059  -5.170  13.377
   57    H    ILE   9           H        ILE   9  -6.231  -2.377   9.320
   58    HA   ILE   9           HA       ILE   9  -8.086  -0.274   9.874
   59    HB   ILE   9           HB       ILE   9  -6.915   0.942   8.016
   60   1HG1  ILE   9          2HG1      ILE   9  -4.979  -1.364   8.039
   61   2HG1  ILE   9          1HG1      ILE   9  -6.258  -1.230   6.839
   62   1HG2  ILE   9          1HG2      ILE   9  -5.600  -0.112  10.455
   63   2HG2  ILE   9          2HG2      ILE   9  -6.014   1.545  10.014
   64   3HG2  ILE   9          3HG2      ILE   9  -4.601   0.767   9.297
   65   1HD1  ILE   9          1HD1      ILE   9  -4.588   1.159   7.180
   66   2HD1  ILE   9          2HD1      ILE   9  -5.201   0.393   5.714
   67   3HD1  ILE   9          3HD1      ILE   9  -3.776  -0.261   6.520
   68    H    SER  10           H        SER  10  -9.980   0.106   8.949
   69    HA   SER  10           HA       SER  10 -10.888  -1.542   6.771
   70   1HB   SER  10          2HB       SER  10 -12.936   0.127   7.065
   71   2HB   SER  10          1HB       SER  10 -12.643  -1.176   8.217
   72    HG   SER  10           HG       SER  10 -12.195   0.250   9.698
   73    H    ARG  11           H        ARG  11 -12.167  -0.407   4.964
   74    HA   ARG  11           HA       ARG  11 -10.360   1.087   3.417
   75   1HB   ARG  11          2HB       ARG  11 -12.593  -0.345   2.867
   76   2HB   ARG  11          1HB       ARG  11 -13.216   1.290   2.707
   77   1HG   ARG  11          2HG       ARG  11 -11.613   1.811   1.016
   78   2HG   ARG  11          1HG       ARG  11 -10.774   0.280   1.273
   79   1HD   ARG  11          2HD       ARG  11 -13.514   0.720   0.110
   80   2HD   ARG  11          1HD       ARG  11 -12.100   0.027  -0.683
   81    HE   ARG  11           HE       ARG  11 -12.533  -1.667   1.374
   82   1HH1  ARG  11          2HH1      ARG  11 -14.602  -0.401  -1.134
   83   2HH1  ARG  11          1HH1      ARG  11 -15.617  -1.804  -1.177
   84   1HH2  ARG  11          1HH2      ARG  11 -13.865  -3.513   1.317
   85   2HH2  ARG  11          2HH2      ARG  11 -15.199  -3.570   0.213
   86    H    SER  12           H        SER  12 -12.551   2.042   5.819
   87    HA   SER  12           HA       SER  12 -12.986   4.714   4.869
   88   1HB   SER  12          2HB       SER  12 -13.692   3.178   7.327
   89   2HB   SER  12          1HB       SER  12 -13.712   4.939   7.414
   90    HG   SER  12           HG       SER  12 -15.039   3.494   5.374
   91    H    GLU  13           H        GLU  13 -10.710   3.132   7.024
   92    HA   GLU  13           HA       GLU  13  -9.668   5.604   8.057
   93   1HB   GLU  13          2HB       GLU  13  -8.216   2.984   8.191
   94   2HB   GLU  13          1HB       GLU  13  -8.169   4.330   9.321
   95   1HG   GLU  13          2HG       GLU  13 -10.846   3.319   9.126
   96   2HG   GLU  13          1HG       GLU  13  -9.727   2.004   9.474
   97    H    ALA  14           H        ALA  14  -8.459   3.145   5.772
   98    HA   ALA  14           HA       ALA  14  -6.012   4.372   5.246
   99   1HB   ALA  14          1HB       ALA  14  -5.948   3.005   3.223
  100   2HB   ALA  14          2HB       ALA  14  -7.664   2.643   3.410
  101   3HB   ALA  14          3HB       ALA  14  -6.508   2.074   4.613
  102    H    VAL  15           H        VAL  15  -9.164   4.795   3.674
  103    HA   VAL  15           HA       VAL  15  -8.230   6.500   1.618
  104    HB   VAL  15           HB       VAL  15 -10.993   6.418   2.837
  105   1HG1  VAL  15          1HG1      VAL  15 -11.404   7.146   0.295
  106   2HG1  VAL  15          2HG1      VAL  15  -9.825   7.885   0.556
  107   3HG1  VAL  15          3HG1      VAL  15 -11.179   8.306   1.604
  108   1HG2  VAL  15          1HG2      VAL  15 -10.399   5.145   0.235
  109   2HG2  VAL  15          2HG2      VAL  15 -11.527   4.664   1.501
  110   3HG2  VAL  15          3HG2      VAL  15  -9.806   4.326   1.680
  111    H    ARG  16           H        ARG  16  -9.524   7.178   4.855
  112    HA   ARG  16           HA       ARG  16  -9.194  10.028   4.486
  113   1HB   ARG  16          2HB       ARG  16 -10.964   8.676   5.944
  114   2HB   ARG  16          1HB       ARG  16  -9.724   8.872   7.174
  115   1HG   ARG  16          2HG       ARG  16 -10.062  11.101   7.362
  116   2HG   ARG  16          1HG       ARG  16 -10.482  11.292   5.657
  117   1HD   ARG  16          2HD       ARG  16 -12.283   9.904   7.625
  118   2HD   ARG  16          1HD       ARG  16 -12.350  11.644   7.342
  119    HE   ARG  16           HE       ARG  16 -13.319   9.563   5.612
  120   1HH1  ARG  16          2HH1      ARG  16 -12.191  12.863   5.766
  121   2HH1  ARG  16          1HH1      ARG  16 -13.013  13.342   4.319
  122   1HH2  ARG  16          1HH2      ARG  16 -14.402  10.193   3.709
  123   2HH2  ARG  16          2HH2      ARG  16 -14.268  11.828   3.152
  124    H    ARG  17           H        ARG  17  -7.331   7.426   5.579
  125    HA   ARG  17           HA       ARG  17  -5.610   8.924   7.328
  126   1HB   ARG  17          2HB       ARG  17  -5.882   6.589   7.812
  127   2HB   ARG  17          1HB       ARG  17  -5.443   6.134   6.172
  128   1HG   ARG  17          2HG       ARG  17  -3.173   6.662   6.524
  129   2HG   ARG  17          1HG       ARG  17  -3.528   7.534   8.017
  130   1HD   ARG  17          2HD       ARG  17  -4.522   5.130   8.660
  131   2HD   ARG  17          1HD       ARG  17  -3.275   4.629   7.520
  132    HE   ARG  17           HE       ARG  17  -1.960   6.332   9.154
  133   1HH1  ARG  17          2HH1      ARG  17  -3.973   3.543   9.747
  134   2HH1  ARG  17          1HH1      ARG  17  -3.150   3.102  11.204
  135   1HH2  ARG  17          1HH2      ARG  17  -0.875   5.753  11.072
  136   2HH2  ARG  17          2HH2      ARG  17  -1.392   4.357  11.958
  137    H    LEU  18           H        LEU  18  -5.311   7.465   4.102
  138    HA   LEU  18           HA       LEU  18  -2.743   8.456   3.514
  139   1HB   LEU  18          2HB       LEU  18  -5.005   7.338   1.976
  140   2HB   LEU  18          1HB       LEU  18  -3.784   8.222   1.079
  141    HG   LEU  18           HG       LEU  18  -3.279   5.878   1.032
  142   1HD1  LEU  18          1HD1      LEU  18  -1.370   7.089   3.005
  143   2HD1  LEU  18          2HD1      LEU  18  -1.454   7.626   1.331
  144   3HD1  LEU  18          3HD1      LEU  18  -1.030   5.954   1.701
  145   1HD2  LEU  18          1HD2      LEU  18  -2.786   4.638   3.087
  146   2HD2  LEU  18          2HD2      LEU  18  -4.463   5.171   3.021
  147   3HD2  LEU  18          3HD2      LEU  18  -3.306   6.028   4.039
  148    H    GLN  19           H        GLN  19  -5.936   9.699   3.019
  149    HA   GLN  19           HA       GLN  19  -5.167  11.999   1.515
  150   1HB   GLN  19          2HB       GLN  19  -7.671  10.944   2.681
  151   2HB   GLN  19          1HB       GLN  19  -7.602  12.685   2.460
  152   1HG   GLN  19          2HG       GLN  19  -6.737  11.040   0.170
  153   2HG   GLN  19          1HG       GLN  19  -8.451  10.990   0.578
  154   1HE2  GLN  19          1HE2      GLN  19  -9.690  12.514  -0.253
  155   2HE2  GLN  19          2HE2      GLN  19  -9.150  14.021  -0.901
  156    H    ALA  20           H        ALA  20  -5.271  11.279   4.888
  157    HA   ALA  20           HA       ALA  20  -5.769  13.645   6.149
  158   1HB   ALA  20          1HB       ALA  20  -3.400  11.967   6.921
  159   2HB   ALA  20          2HB       ALA  20  -5.058  11.409   7.149
  160   3HB   ALA  20          3HB       ALA  20  -4.499  12.870   7.964
  161    H    GLU  21           H        GLU  21  -4.080  15.145   7.214
  162    HA   GLU  21           HA       GLU  21  -2.483  16.221   5.064
  163   1HB   GLU  21          2HB       GLU  21  -2.880  17.371   7.821
  164   2HB   GLU  21          1HB       GLU  21  -2.216  18.210   6.425
  165   1HG   GLU  21          2HG       GLU  21  -4.474  17.748   5.314
  166   2HG   GLU  21          1HG       GLU  21  -5.044  17.371   6.939
  167    H    GLY  22           H        GLY  22  -1.889  13.858   6.831
  168   1HA   GLY  22          2HA       GLY  22   0.796  14.579   7.761
  169   2HA   GLY  22          1HA       GLY  22  -0.056  13.086   8.142
  170    H    ASN  23           H        ASN  23  -0.725  13.412   5.040
  171    HA   ASN  23           HA       ASN  23   1.517  11.725   4.206
  172   1HB   ASN  23          2HB       ASN  23  -1.183  12.163   2.914
  173   2HB   ASN  23          1HB       ASN  23   0.031  10.998   2.397
  174   1HD2  ASN  23          1HD2      ASN  23  -1.853  11.925   5.255
  175   2HD2  ASN  23          2HD2      ASN  23  -2.110  10.313   5.816
  176    H    ALA  24           H        ALA  24   3.002  12.452   2.849
  177    HA   ALA  24           HA       ALA  24   2.403  14.876   1.288
  178   1HB   ALA  24          1HB       ALA  24   5.090  14.850   1.300
  179   2HB   ALA  24          2HB       ALA  24   4.774  14.070   2.850
  180   3HB   ALA  24          3HB       ALA  24   4.123  15.676   2.522
  181    H    THR  25           H        THR  25   1.476  12.953  -0.009
  182    HA   THR  25           HA       THR  25   1.499  11.646  -1.827
  183    HB   THR  25           HB       THR  25   3.080  12.298  -3.651
  184    HG1  THR  25           HG1      THR  25   4.673  13.030  -1.896
  185   1HG2  THR  25          1HG2      THR  25   0.912  13.529  -3.114
  186   2HG2  THR  25          2HG2      THR  25   2.103  14.361  -4.114
  187   3HG2  THR  25          3HG2      THR  25   1.942  14.773  -2.408
  188    H    GLY  26           H        GLY  26   2.049   9.615  -2.188
  189   1HA   GLY  26          2HA       GLY  26   3.527   7.788  -2.469
  190   2HA   GLY  26          1HA       GLY  26   4.790   8.714  -1.666
  191    H    ALA  27           H        ALA  27   2.614   9.450   0.393
  192    HA   ALA  27           HA       ALA  27   3.332   7.788   2.442
  193   1HB   ALA  27          1HB       ALA  27   0.685   9.163   1.998
  194   2HB   ALA  27          2HB       ALA  27   2.087   9.813   2.847
  195   3HB   ALA  27          3HB       ALA  27   1.195   8.453   3.529
  196    H    PHE  28           H        PHE  28   2.976   5.616   2.863
  197    HA   PHE  28           HA       PHE  28   0.606   4.390   1.626
  198   1HB   PHE  28          2HB       PHE  28   2.041   2.461   0.983
  199   2HB   PHE  28          1HB       PHE  28   2.400   3.953   0.123
  200    HD1  PHE  28           HD1      PHE  28   3.505   1.899   2.997
  201    HD2  PHE  28           HD2      PHE  28   4.588   4.771   0.054
  202    HE1  PHE  28           HE1      PHE  28   5.862   1.691   3.671
  203    HE2  PHE  28           HE2      PHE  28   6.946   4.573   0.723
  204    HZ   PHE  28           HZ       PHE  28   7.587   3.032   2.533
  205    H    LEU  29           H        LEU  29   0.302   2.177   2.388
  206    HA   LEU  29           HA       LEU  29   1.322   1.436   4.978
  207   1HB   LEU  29          2HB       LEU  29  -1.063   1.236   5.877
  208   2HB   LEU  29          1HB       LEU  29  -0.354   2.836   5.846
  209    HG   LEU  29           HG       LEU  29  -1.871   3.632   4.350
  210   1HD1  LEU  29          1HD1      LEU  29  -2.838   2.435   2.505
  211   2HD1  LEU  29          2HD1      LEU  29  -2.230   0.904   3.113
  212   3HD1  LEU  29          3HD1      LEU  29  -1.115   2.123   2.518
  213   1HD2  LEU  29          1HD2      LEU  29  -3.673   1.364   4.769
  214   2HD2  LEU  29          2HD2      LEU  29  -3.896   3.080   5.111
  215   3HD2  LEU  29          3HD2      LEU  29  -2.985   2.068   6.233
  216    H    ILE  30           H        ILE  30   0.443  -0.769   5.575
  217    HA   ILE  30           HA       ILE  30  -0.717  -2.106   3.226
  218    HB   ILE  30           HB       ILE  30   1.175  -3.606   4.955
  219   1HG1  ILE  30          2HG1      ILE  30   1.901  -1.349   3.278
  220   2HG1  ILE  30          1HG1      ILE  30   2.893  -2.271   4.394
  221   1HG2  ILE  30          1HG2      ILE  30   0.960  -3.990   2.037
  222   2HG2  ILE  30          2HG2      ILE  30  -0.467  -4.368   2.996
  223   3HG2  ILE  30          3HG2      ILE  30   1.060  -5.174   3.340
  224   1HD1  ILE  30          1HD1      ILE  30   3.692  -2.222   2.042
  225   2HD1  ILE  30          2HD1      ILE  30   2.274  -3.166   1.595
  226   3HD1  ILE  30          3HD1      ILE  30   3.466  -3.834   2.710
  227    H    ARG  31           H        ARG  31  -2.570  -3.044   3.659
  228    HA   ARG  31           HA       ARG  31  -3.060  -3.969   6.408
  229   1HB   ARG  31          2HB       ARG  31  -5.380  -3.382   6.164
  230   2HB   ARG  31          1HB       ARG  31  -4.412  -1.982   5.731
  231   1HG   ARG  31          2HG       ARG  31  -4.696  -2.609   3.347
  232   2HG   ARG  31          1HG       ARG  31  -5.812  -3.870   3.872
  233   1HD   ARG  31          2HD       ARG  31  -7.445  -2.384   4.436
  234   2HD   ARG  31          1HD       ARG  31  -6.297  -1.117   4.865
  235    HE   ARG  31           HE       ARG  31  -5.957  -1.118   2.271
  236   1HH1  ARG  31          2HH1      ARG  31  -8.961  -1.391   4.037
  237   2HH1  ARG  31          1HH1      ARG  31  -9.912  -0.718   2.758
  238   1HH2  ARG  31          1HH2      ARG  31  -7.211  -0.238   0.596
  239   2HH2  ARG  31          2HH2      ARG  31  -8.919  -0.058   0.807
  240    H    VAL  32           H        VAL  32  -5.222  -5.458   6.229
  241    HA   VAL  32           HA       VAL  32  -4.297  -7.693   4.633
  242    HB   VAL  32           HB       VAL  32  -6.106  -8.971   5.744
  243   1HG1  VAL  32          1HG1      VAL  32  -5.173  -8.318   8.184
  244   2HG1  VAL  32          2HG1      VAL  32  -3.952  -7.551   7.169
  245   3HG1  VAL  32          3HG1      VAL  32  -4.267  -9.279   7.015
  246   1HG2  VAL  32          1HG2      VAL  32  -6.642  -6.418   7.260
  247   2HG2  VAL  32          2HG2      VAL  32  -7.446  -7.973   7.481
  248   3HG2  VAL  32          3HG2      VAL  32  -7.675  -7.067   5.985
  249    H    SER  33           H        SER  33  -6.023  -9.056   3.555
  250    HA   SER  33           HA       SER  33  -7.022  -7.662   1.361
  251   1HB   SER  33          2HB       SER  33  -8.462  -9.892   1.178
  252   2HB   SER  33          1HB       SER  33  -6.725  -9.886   0.873
  253    HG   SER  33           HG       SER  33  -8.160 -10.967   2.986
  254    H    GLU  34           H        GLU  34  -8.251  -5.904   2.248
  255    HA   GLU  34           HA       GLU  34 -10.586  -6.305   3.802
  256   1HB   GLU  34          2HB       GLU  34  -9.165  -4.096   2.741
  257   2HB   GLU  34          1HB       GLU  34 -10.819  -3.957   2.164
  258   1HG   GLU  34          2HG       GLU  34 -10.609  -4.623   4.999
  259   2HG   GLU  34          1HG       GLU  34  -9.897  -3.069   4.571
  260    H    LYS  35           H        LYS  35  -9.853  -6.835   0.564
  261    HA   LYS  35           HA       LYS  35 -12.669  -7.347  -0.059
  262   1HB   LYS  35          2HB       LYS  35 -10.923  -6.515  -2.317
  263   2HB   LYS  35          1HB       LYS  35 -12.639  -6.257  -2.069
  264   1HG   LYS  35          2HG       LYS  35 -12.106  -4.143  -1.652
  265   2HG   LYS  35          1HG       LYS  35 -11.513  -4.720  -0.094
  266   1HD   LYS  35          2HD       LYS  35  -9.385  -4.311  -0.646
  267   2HD   LYS  35          1HD       LYS  35  -9.567  -5.075  -2.227
  268   1HE   LYS  35          2HE       LYS  35 -10.985  -2.769  -2.556
  269   2HE   LYS  35          1HE       LYS  35  -9.700  -2.246  -1.467
  270   1HZ   LYS  35          1HZ       LYS  35  -9.296  -3.637  -4.061
  271   2HZ   LYS  35          2HZ       LYS  35  -8.071  -3.101  -3.024
  272   3HZ   LYS  35          3HZ       LYS  35  -9.078  -1.980  -3.791
  273    HA   PRO  36           HA       PRO  36  -9.761 -10.226  -2.896
  274   1HB   PRO  36          2HB       PRO  36  -7.296 -10.417  -1.514
  275   2HB   PRO  36          1HB       PRO  36  -7.572  -9.676  -3.091
  276   1HG   PRO  36          2HG       PRO  36  -7.387  -8.408  -0.410
  277   2HG   PRO  36          1HG       PRO  36  -6.888  -7.781  -1.988
  278   1HD   PRO  36          2HD       PRO  36  -9.082  -6.872  -0.801
  279   2HD   PRO  36          1HD       PRO  36  -9.051  -7.139  -2.552
  280    H    SER  37           H        SER  37  -8.785 -12.417  -2.238
  281    HA   SER  37           HA       SER  37 -10.373 -13.457  -0.093
  282   1HB   SER  37          2HB       SER  37 -10.148 -14.846  -2.017
  283   2HB   SER  37          1HB       SER  37  -8.390 -14.730  -1.981
  284    HG   SER  37           HG       SER  37 -10.091 -16.346  -0.527
  285    H    ALA  38           H        ALA  38  -7.002 -14.408  -0.579
  286    HA   ALA  38           HA       ALA  38  -6.482 -13.741   2.245
  287   1HB   ALA  38          1HB       ALA  38  -5.279 -16.061   0.745
  288   2HB   ALA  38          2HB       ALA  38  -6.697 -16.190   1.787
  289   3HB   ALA  38          3HB       ALA  38  -5.143 -15.708   2.468
  290    H    ASP  39           H        ASP  39  -5.862 -11.699   0.970
  291    HA   ASP  39           HA       ASP  39  -2.983 -11.856   0.401
  292   1HB   ASP  39          2HB       ASP  39  -4.866 -10.074  -1.146
  293   2HB   ASP  39          1HB       ASP  39  -3.184 -10.438  -1.503
  294    H    TYR  40           H        TYR  40  -2.663  -9.089  -0.151
  295    HA   TYR  40           HA       TYR  40  -3.613  -7.744   2.277
  296   1HB   TYR  40          2HB       TYR  40  -0.807  -8.421   1.648
  297   2HB   TYR  40          1HB       TYR  40  -1.055  -6.702   1.948
  298    HD1  TYR  40           HD1      TYR  40  -2.388  -9.859   3.457
  299    HD2  TYR  40           HD2      TYR  40  -0.517  -6.097   4.103
  300    HE1  TYR  40           HE1      TYR  40  -2.377 -10.288   5.878
  301    HE2  TYR  40           HE2      TYR  40  -0.495  -6.515   6.526
  302    HH   TYR  40           HH       TYR  40  -1.671  -7.860   8.170
  303    H    VAL  41           H        VAL  41  -3.991  -5.582   1.990
  304    HA   VAL  41           HA       VAL  41  -3.616  -4.684  -0.792
  305    HB   VAL  41           HB       VAL  41  -5.606  -3.179  -0.380
  306   1HG1  VAL  41          1HG1      VAL  41  -5.507  -6.063  -0.861
  307   2HG1  VAL  41          2HG1      VAL  41  -6.335  -4.792  -1.761
  308   3HG1  VAL  41          3HG1      VAL  41  -7.089  -5.494  -0.329
  309   1HG2  VAL  41          1HG2      VAL  41  -6.163  -3.081   1.804
  310   2HG2  VAL  41          2HG2      VAL  41  -5.523  -4.680   2.159
  311   3HG2  VAL  41          3HG2      VAL  41  -7.112  -4.511   1.418
  312    H    LEU  42           H        LEU  42  -2.654  -2.825  -1.178
  313    HA   LEU  42           HA       LEU  42  -1.752  -1.302   1.153
  314   1HB   LEU  42          2HB       LEU  42   0.003  -2.373  -0.185
  315   2HB   LEU  42          1HB       LEU  42  -0.546  -1.487  -1.597
  316    HG   LEU  42           HG       LEU  42  -0.147   0.558   0.097
  317   1HD1  LEU  42          1HD1      LEU  42   2.256  -1.059   0.724
  318   2HD1  LEU  42          2HD1      LEU  42   0.792  -1.416   1.636
  319   3HD1  LEU  42          3HD1      LEU  42   1.471   0.212   1.659
  320   1HD2  LEU  42          1HD2      LEU  42   0.923  -0.346  -2.234
  321   2HD2  LEU  42          2HD2      LEU  42   2.328  -0.303  -1.171
  322   3HD2  LEU  42          3HD2      LEU  42   1.364   1.152  -1.420
  323    H    SER  43           H        SER  43  -1.785   0.987   1.071
  324    HA   SER  43           HA       SER  43  -3.149   2.168  -1.203
  325   1HB   SER  43          2HB       SER  43  -4.999   2.754  -0.183
  326   2HB   SER  43          1HB       SER  43  -4.527   1.661   1.116
  327    HG   SER  43           HG       SER  43  -4.745   4.336   1.148
  328    H    VAL  44           H        VAL  44  -2.554   4.078  -1.815
  329    HA   VAL  44           HA       VAL  44  -0.633   5.537  -0.112
  330    HB   VAL  44           HB       VAL  44   0.404   4.114  -1.977
  331   1HG1  VAL  44          1HG1      VAL  44   0.023   6.337  -3.848
  332   2HG1  VAL  44          2HG1      VAL  44  -1.418   5.363  -3.558
  333   3HG1  VAL  44          3HG1      VAL  44   0.059   4.599  -4.138
  334   1HG2  VAL  44          1HG2      VAL  44   1.908   5.516  -0.987
  335   2HG2  VAL  44          2HG2      VAL  44   0.956   6.960  -1.321
  336   3HG2  VAL  44          3HG2      VAL  44   1.886   6.200  -2.612
  337    H    ARG  45           H        ARG  45  -0.548   7.734  -0.286
  338    HA   ARG  45           HA       ARG  45  -2.935   9.004  -1.252
  339   1HB   ARG  45          2HB       ARG  45  -1.666   9.759   0.798
  340   2HB   ARG  45          1HB       ARG  45  -0.396  10.333  -0.276
  341   1HG   ARG  45          2HG       ARG  45  -2.143  11.766  -1.388
  342   2HG   ARG  45          1HG       ARG  45  -3.221  11.333  -0.062
  343   1HD   ARG  45          2HD       ARG  45  -2.233  12.766   1.330
  344   2HD   ARG  45          1HD       ARG  45  -0.619  12.220   0.874
  345    HE   ARG  45           HE       ARG  45  -1.170  13.707  -1.216
  346   1HH1  ARG  45          2HH1      ARG  45  -1.852  14.394   2.143
  347   2HH1  ARG  45          1HH1      ARG  45  -1.760  16.109   1.935
  348   1HH2  ARG  45          1HH2      ARG  45  -1.047  15.961  -1.481
  349   2HH2  ARG  45          2HH2      ARG  45  -1.302  16.999  -0.117
  350    H    ASP  46           H        ASP  46  -0.127   7.918  -2.642
  351    HA   ASP  46           HA       ASP  46   1.050   8.427  -4.550
  352   1HB   ASP  46          2HB       ASP  46  -0.414   8.831  -6.530
  353   2HB   ASP  46          1HB       ASP  46  -0.955   7.490  -5.527
  354    H    THR  47           H        THR  47  -0.694  10.760  -6.164
  355    HA   THR  47           HA       THR  47   1.024  12.868  -5.061
  356    HB   THR  47           HB       THR  47   1.377  12.391  -7.448
  357    HG1  THR  47           HG1      THR  47   0.116  14.871  -6.917
  358   1HG2  THR  47          1HG2      THR  47  -0.291  12.885  -9.113
  359   2HG2  THR  47          2HG2      THR  47  -1.468  13.275  -7.858
  360   3HG2  THR  47          3HG2      THR  47  -0.876  11.622  -8.031
  361    H    GLN  48           H        GLN  48  -2.125  11.774  -5.143
  362    HA   GLN  48           HA       GLN  48  -3.171  13.862  -3.611
  363   1HB   GLN  48          2HB       GLN  48  -3.505  14.115  -6.547
  364   2HB   GLN  48          1HB       GLN  48  -4.942  14.397  -5.573
  365   1HG   GLN  48          2HG       GLN  48  -2.947  15.830  -4.285
  366   2HG   GLN  48          1HG       GLN  48  -2.635  16.082  -6.002
  367   1HE2  GLN  48          1HE2      GLN  48  -3.643  17.890  -3.882
  368   2HE2  GLN  48          2HE2      GLN  48  -5.129  18.525  -4.494
  369    H    ALA  49           H        ALA  49  -5.179  13.294  -2.753
  370    HA   ALA  49           HA       ALA  49  -6.900  11.912  -2.168
  371   1HB   ALA  49          1HB       ALA  49  -7.534  10.285  -4.244
  372   2HB   ALA  49          2HB       ALA  49  -6.729  11.608  -5.089
  373   3HB   ALA  49          3HB       ALA  49  -8.124  11.936  -4.060
  374    H    VAL  50           H        VAL  50  -7.477   9.293  -2.522
  375    HA   VAL  50           HA       VAL  50  -4.958   7.985  -1.739
  376    HB   VAL  50           HB       VAL  50  -7.775   7.204  -0.962
  377   1HG1  VAL  50          1HG1      VAL  50  -6.477   5.218  -1.084
  378   2HG1  VAL  50          2HG1      VAL  50  -6.538   5.667   0.621
  379   3HG1  VAL  50          3HG1      VAL  50  -5.087   5.995  -0.327
  380   1HG2  VAL  50          1HG2      VAL  50  -7.318   9.082   0.312
  381   2HG2  VAL  50          2HG2      VAL  50  -5.595   8.720   0.414
  382   3HG2  VAL  50          3HG2      VAL  50  -6.751   7.774   1.350
  383    H    ARG  51           H        ARG  51  -4.388   6.037  -2.533
  384    HA   ARG  51           HA       ARG  51  -6.044   4.882  -4.672
  385   1HB   ARG  51          2HB       ARG  51  -3.049   5.291  -4.695
  386   2HB   ARG  51          1HB       ARG  51  -3.936   4.349  -5.887
  387   1HG   ARG  51          2HG       ARG  51  -5.282   6.619  -6.113
  388   2HG   ARG  51          1HG       ARG  51  -3.757   7.274  -5.523
  389   1HD   ARG  51          2HD       ARG  51  -2.674   6.826  -7.437
  390   2HD   ARG  51          1HD       ARG  51  -3.478   5.271  -7.639
  391    HE   ARG  51           HE       ARG  51  -5.150   7.568  -8.148
  392   1HH1  ARG  51          2HH1      ARG  51  -2.947   5.237  -9.527
  393   2HH1  ARG  51          1HH1      ARG  51  -3.546   5.441 -11.138
  394   1HH2  ARG  51          1HH2      ARG  51  -5.937   7.834 -10.266
  395   2HH2  ARG  51          2HH2      ARG  51  -5.243   6.914 -11.559
  396    H    HIS  52           H        HIS  52  -6.714   3.012  -3.795
  397    HA   HIS  52           HA       HIS  52  -4.934   1.561  -2.016
  398   1HB   HIS  52          2HB       HIS  52  -7.794   0.951  -2.839
  399   2HB   HIS  52          1HB       HIS  52  -6.892   0.153  -1.547
  400    HD1  HIS  52           HD1      HIS  52  -6.409   1.524   0.578
  401    HD2  HIS  52           HD2      HIS  52  -8.782   3.487  -2.199
  402    HE1  HIS  52           HE1      HIS  52  -7.143   3.625   1.703
  403    HE2  HIS  52           HE2      HIS  52  -8.475   4.865  -0.031
  404    H    TYR  53           H        TYR  53  -4.471  -0.720  -2.317
  405    HA   TYR  53           HA       TYR  53  -4.756  -1.706  -5.062
  406   1HB   TYR  53          2HB       TYR  53  -2.083  -1.777  -3.692
  407   2HB   TYR  53          1HB       TYR  53  -2.449  -2.015  -5.398
  408    HD1  TYR  53           HD1      TYR  53  -1.569   0.369  -2.844
  409    HD2  TYR  53           HD2      TYR  53  -3.194  -0.032  -6.754
  410    HE1  TYR  53           HE1      TYR  53  -1.071   2.734  -3.292
  411    HE2  TYR  53           HE2      TYR  53  -2.696   2.327  -7.214
  412    HH   TYR  53           HH       TYR  53  -2.036   4.273  -6.324
  413    H    LYS  54           H        LYS  54  -4.503  -3.915  -5.324
  414    HA   LYS  54           HA       LYS  54  -4.793  -5.499  -2.877
  415   1HB   LYS  54          2HB       LYS  54  -6.527  -5.716  -4.676
  416   2HB   LYS  54          1HB       LYS  54  -5.274  -6.319  -5.752
  417   1HG   LYS  54          2HG       LYS  54  -5.224  -7.835  -3.340
  418   2HG   LYS  54          1HG       LYS  54  -6.878  -7.771  -3.950
  419   1HD   LYS  54          2HD       LYS  54  -4.461  -8.567  -5.573
  420   2HD   LYS  54          1HD       LYS  54  -5.606  -9.692  -4.838
  421   1HE   LYS  54          2HE       LYS  54  -6.830  -9.553  -6.686
  422   2HE   LYS  54          1HE       LYS  54  -7.165  -7.871  -6.278
  423   1HZ   LYS  54          1HZ       LYS  54  -4.850  -8.806  -7.887
  424   2HZ   LYS  54          2HZ       LYS  54  -5.239  -7.197  -7.540
  425   3HZ   LYS  54          3HZ       LYS  54  -6.262  -8.121  -8.519
  426    H    ILE  55           H        ILE  55  -2.952  -6.267  -2.129
  427    HA   ILE  55           HA       ILE  55  -0.783  -6.911  -3.983
  428    HB   ILE  55           HB       ILE  55  -0.406  -7.285  -1.078
  429   1HG1  ILE  55          2HG1      ILE  55  -0.096  -4.463  -1.937
  430   2HG1  ILE  55          1HG1      ILE  55  -1.740  -5.005  -1.624
  431   1HG2  ILE  55          1HG2      ILE  55   1.765  -6.945  -1.558
  432   2HG2  ILE  55          2HG2      ILE  55   1.419  -5.606  -2.651
  433   3HG2  ILE  55          3HG2      ILE  55   1.237  -7.269  -3.208
  434   1HD1  ILE  55          1HD1      ILE  55   0.153  -4.141   0.229
  435   2HD1  ILE  55          2HD1      ILE  55  -0.003  -5.877   0.478
  436   3HD1  ILE  55          3HD1      ILE  55  -1.427  -4.844   0.556
  437    H    TRP  56           H        TRP  56  -1.354  -8.834  -4.852
  438    HA   TRP  56           HA       TRP  56  -2.465 -10.939  -3.230
  439   1HB   TRP  56          2HB       TRP  56  -2.934 -10.281  -5.736
  440   2HB   TRP  56          1HB       TRP  56  -1.585 -11.365  -6.050
  441    HD1  TRP  56           HD1      TRP  56  -2.217 -13.697  -4.033
  442    HE1  TRP  56           HE1      TRP  56  -4.276 -15.196  -4.382
  443    HE3  TRP  56           HE3      TRP  56  -4.990 -10.584  -6.990
  444    HZ2  TRP  56           HZ2      TRP  56  -6.750 -15.077  -5.735
  445    HZ3  TRP  56           HZ3      TRP  56  -7.193 -11.354  -7.772
  446    HH2  TRP  56           HH2      TRP  56  -8.053 -13.555  -7.158
  447    H    ARG  57           H        ARG  57  -1.526 -12.703  -2.479
  448    HA   ARG  57           HA       ARG  57   1.363 -12.866  -2.506
  449   1HB   ARG  57          2HB       ARG  57   0.146 -13.197  -0.412
  450   2HB   ARG  57          1HB       ARG  57  -0.746 -14.535  -1.118
  451   1HG   ARG  57          2HG       ARG  57   1.578 -15.608  -1.454
  452   2HG   ARG  57          1HG       ARG  57   2.118 -14.413  -0.272
  453   1HD   ARG  57          2HD       ARG  57   0.715 -15.276   1.403
  454   2HD   ARG  57          1HD       ARG  57  -0.249 -16.187   0.243
  455    HE   ARG  57           HE       ARG  57   1.327 -17.867   0.279
  456   1HH1  ARG  57          2HH1      ARG  57   2.566 -15.068   1.961
  457   2HH1  ARG  57          1HH1      ARG  57   3.909 -15.920   2.643
  458   1HH2  ARG  57          1HH2      ARG  57   3.094 -18.985   1.176
  459   2HH2  ARG  57          2HH2      ARG  57   4.210 -18.142   2.198
  460    H    ARG  58           H        ARG  58   2.533 -14.748  -3.143
  461    HA   ARG  58           HA       ARG  58   1.299 -16.111  -5.408
  462   1HB   ARG  58          2HB       ARG  58   4.040 -15.418  -4.583
  463   2HB   ARG  58          1HB       ARG  58   3.879 -16.963  -5.401
  464   1HG   ARG  58          2HG       ARG  58   2.390 -14.945  -6.799
  465   2HG   ARG  58          1HG       ARG  58   4.055 -14.418  -6.552
  466   1HD   ARG  58          2HD       ARG  58   4.617 -15.672  -8.302
  467   2HD   ARG  58          1HD       ARG  58   4.261 -17.088  -7.316
  468    HE   ARG  58           HE       ARG  58   1.954 -15.959  -8.612
  469   1HH1  ARG  58          2HH1      ARG  58   4.627 -18.180  -8.939
  470   2HH1  ARG  58          1HH1      ARG  58   3.849 -19.132 -10.158
  471   1HH2  ARG  58          1HH2      ARG  58   0.930 -17.209 -10.215
  472   2HH2  ARG  58          2HH2      ARG  58   1.750 -18.581 -10.882
  473    H    ALA  59           H        ALA  59   0.631 -16.849  -2.632
  474    HA   ALA  59           HA       ALA  59   0.412 -18.680  -1.288
  475   1HB   ALA  59          1HB       ALA  59   0.693 -20.260  -3.832
  476   2HB   ALA  59          2HB       ALA  59  -0.751 -19.332  -3.430
  477   3HB   ALA  59          3HB       ALA  59  -0.243 -20.665  -2.393
  478    H    GLY  60           H        GLY  60   3.191 -17.755  -1.862
  479   1HA   GLY  60          2HA       GLY  60   4.558 -19.848  -0.513
  480   2HA   GLY  60          1HA       GLY  60   4.996 -19.828  -2.214
  481    H    GLY  61           H        GLY  61   4.189 -16.904  -0.476
  482   1HA   GLY  61          2HA       GLY  61   5.538 -15.221   0.375
  483   2HA   GLY  61          1HA       GLY  61   6.939 -16.246   0.098
  484    H    ARG  62           H        ARG  62   4.662 -14.033  -1.429
  485    HA   ARG  62           HA       ARG  62   6.538 -12.642  -2.897
  486   1HB   ARG  62          2HB       ARG  62   6.054 -15.178  -4.065
  487   2HB   ARG  62          1HB       ARG  62   5.288 -13.981  -5.100
  488   1HG   ARG  62          2HG       ARG  62   7.309 -12.882  -5.523
  489   2HG   ARG  62          1HG       ARG  62   8.118 -13.668  -4.166
  490   1HD   ARG  62          2HD       ARG  62   8.953 -14.980  -5.807
  491   2HD   ARG  62          1HD       ARG  62   7.428 -15.836  -5.582
  492    HE   ARG  62           HE       ARG  62   7.230 -13.734  -7.509
  493   1HH1  ARG  62          2HH1      ARG  62   8.242 -17.041  -7.040
  494   2HH1  ARG  62          1HH1      ARG  62   8.028 -17.473  -8.704
  495   1HH2  ARG  62          1HH2      ARG  62   6.949 -14.301  -9.697
  496   2HH2  ARG  62          2HH2      ARG  62   7.295 -15.918 -10.212
  497    H    LEU  63           H        LEU  63   5.386 -10.856  -2.567
  498    HA   LEU  63           HA       LEU  63   2.545 -10.746  -3.103
  499   1HB   LEU  63          2HB       LEU  63   4.553  -8.757  -2.073
  500   2HB   LEU  63          1HB       LEU  63   2.916  -8.285  -2.487
  501    HG   LEU  63           HG       LEU  63   3.332  -8.751  -0.051
  502   1HD1  LEU  63          1HD1      LEU  63   1.229 -10.009   0.234
  503   2HD1  LEU  63          2HD1      LEU  63   1.241 -10.372  -1.491
  504   3HD1  LEU  63          3HD1      LEU  63   1.090  -8.703  -0.943
  505   1HD2  LEU  63          1HD2      LEU  63   4.757 -10.813  -0.652
  506   2HD2  LEU  63          2HD2      LEU  63   3.210 -11.650  -0.779
  507   3HD2  LEU  63          3HD2      LEU  63   3.685 -10.903   0.746
  508    H    HIS  64           H        HIS  64   1.561  -9.478  -4.675
  509    HA   HIS  64           HA       HIS  64   3.153  -8.016  -6.565
  510   1HB   HIS  64          2HB       HIS  64   2.529  -9.305  -8.530
  511   2HB   HIS  64          1HB       HIS  64   3.403 -10.325  -7.396
  512    HD1  HIS  64           HD1      HIS  64   0.130  -9.936  -9.084
  513    HD2  HIS  64           HD2      HIS  64   1.831 -12.328  -6.143
  514    HE1  HIS  64           HE1      HIS  64  -1.455 -11.866  -8.787
  515    HE2  HIS  64           HE2      HIS  64  -0.450 -13.251  -6.937
  516    H    LEU  65           H        LEU  65   1.940  -6.213  -6.266
  517    HA   LEU  65           HA       LEU  65  -0.863  -6.216  -6.029
  518   1HB   LEU  65          2HB       LEU  65   0.957  -3.976  -6.905
  519   2HB   LEU  65          1HB       LEU  65  -0.715  -3.789  -6.407
  520    HG   LEU  65           HG       LEU  65   0.203  -4.977  -4.207
  521   1HD1  LEU  65          1HD1      LEU  65   2.413  -5.286  -4.365
  522   2HD1  LEU  65          2HD1      LEU  65   2.515  -3.562  -4.010
  523   3HD1  LEU  65          3HD1      LEU  65   2.585  -4.124  -5.680
  524   1HD2  LEU  65          1HD2      LEU  65   0.987  -2.307  -3.853
  525   2HD2  LEU  65          2HD2      LEU  65  -0.574  -3.034  -3.477
  526   3HD2  LEU  65          3HD2      LEU  65  -0.309  -2.284  -5.050
  527    H    ASN  66           H        ASN  66   1.229  -6.505  -8.672
  528    HA   ASN  66           HA       ASN  66  -1.018  -6.470 -10.537
  529   1HB   ASN  66          2HB       ASN  66   0.569  -4.319 -10.500
  530   2HB   ASN  66          1HB       ASN  66   1.557  -5.354 -11.527
  531   1HD2  ASN  66          1HD2      ASN  66   1.279  -4.267 -13.406
  532   2HD2  ASN  66          2HD2      ASN  66  -0.237  -4.125 -14.222
  533    H    GLU  67           H        GLU  67  -0.238  -7.403 -12.727
  534    HA   GLU  67           HA       GLU  67   0.950  -9.955 -12.148
  535   1HB   GLU  67          2HB       GLU  67  -0.489  -8.718 -14.410
  536   2HB   GLU  67          1HB       GLU  67   0.668  -9.971 -14.840
  537   1HG   GLU  67          2HG       GLU  67  -0.654 -11.138 -12.771
  538   2HG   GLU  67          1HG       GLU  67  -1.930 -10.175 -13.513
  539    H    ALA  68           H        ALA  68   2.607  -7.348 -12.169
  540    HA   ALA  68           HA       ALA  68   4.866  -8.541 -13.551
  541   1HB   ALA  68          1HB       ALA  68   5.011  -7.099 -15.234
  542   2HB   ALA  68          2HB       ALA  68   4.808  -5.717 -14.157
  543   3HB   ALA  68          3HB       ALA  68   3.393  -6.548 -14.803
  544    H    VAL  69           H        VAL  69   3.870  -7.612 -10.739
  545    HA   VAL  69           HA       VAL  69   6.451  -6.405 -10.014
  546    HB   VAL  69           HB       VAL  69   5.408  -4.879  -8.440
  547   1HG1  VAL  69          1HG1      VAL  69   5.515  -4.549 -11.124
  548   2HG1  VAL  69          2HG1      VAL  69   5.055  -3.284  -9.985
  549   3HG1  VAL  69          3HG1      VAL  69   3.810  -4.218 -10.815
  550   1HG2  VAL  69          1HG2      VAL  69   2.677  -5.053  -9.390
  551   2HG2  VAL  69          2HG2      VAL  69   3.297  -5.040  -7.739
  552   3HG2  VAL  69          3HG2      VAL  69   3.201  -6.557  -8.632
  553    H    SER  70           H        SER  70   6.366  -8.965  -9.688
  554    HA   SER  70           HA       SER  70   5.184  -9.725  -7.158
  555   1HB   SER  70          2HB       SER  70   7.001 -11.355  -8.939
  556   2HB   SER  70          1HB       SER  70   5.951 -11.957  -7.657
  557    HG   SER  70           HG       SER  70   5.227 -10.860 -10.158
  558    H    PHE  71           H        PHE  71   6.179  -9.910  -5.245
  559    HA   PHE  71           HA       PHE  71   9.072 -10.031  -5.061
  560   1HB   PHE  71          2HB       PHE  71   7.515  -7.603  -4.429
  561   2HB   PHE  71          1HB       PHE  71   8.695  -8.089  -3.213
  562    HD1  PHE  71           HD1      PHE  71  11.047  -7.982  -3.652
  563    HD2  PHE  71           HD2      PHE  71   8.229  -6.980  -6.677
  564    HE1  PHE  71           HE1      PHE  71  12.850  -6.985  -4.994
  565    HE2  PHE  71           HE2      PHE  71  10.027  -5.982  -8.026
  566    HZ   PHE  71           HZ       PHE  71  12.342  -5.983  -7.186
  567    H    LEU  72           H        LEU  72   9.559 -11.467  -3.670
  568    HA   LEU  72           HA       LEU  72   8.336 -13.221  -2.259
  569   1HB   LEU  72          2HB       LEU  72  10.053 -12.899  -0.369
  570   2HB   LEU  72          1HB       LEU  72  10.622 -13.235  -1.995
  571    HG   LEU  72           HG       LEU  72  10.718 -10.595  -2.154
  572   1HD1  LEU  72          1HD1      LEU  72  11.727 -10.302   0.448
  573   2HD1  LEU  72          2HD1      LEU  72  10.154 -11.079   0.628
  574   3HD1  LEU  72          3HD1      LEU  72  10.289  -9.550  -0.239
  575   1HD2  LEU  72          1HD2      LEU  72  12.630 -12.621  -1.168
  576   2HD2  LEU  72          2HD2      LEU  72  13.074 -10.934  -0.911
  577   3HD2  LEU  72          3HD2      LEU  72  12.743 -11.521  -2.541
  578    H    SER  73           H        SER  73   8.544  -9.914  -0.935
  579    HA   SER  73           HA       SER  73   6.216 -10.501   0.706
  580   1HB   SER  73          2HB       SER  73   8.403 -10.969   1.994
  581   2HB   SER  73          1HB       SER  73   8.586  -9.214   2.025
  582    HG   SER  73           HG       SER  73   6.605 -10.818   3.217
  583    H    LEU  74           H        LEU  74   5.315  -8.549   1.762
  584    HA   LEU  74           HA       LEU  74   4.830  -6.505  -0.018
  585   1HB   LEU  74          2HB       LEU  74   4.254  -7.027   2.739
  586   2HB   LEU  74          1HB       LEU  74   4.667  -5.337   2.535
  587    HG   LEU  74           HG       LEU  74   2.386  -5.333   2.273
  588   1HD1  LEU  74          1HD1      LEU  74   3.721  -4.405   0.280
  589   2HD1  LEU  74          2HD1      LEU  74   1.978  -4.599   0.119
  590   3HD1  LEU  74          3HD1      LEU  74   3.065  -5.787  -0.597
  591   1HD2  LEU  74          1HD2      LEU  74   1.131  -7.110   1.831
  592   2HD2  LEU  74          2HD2      LEU  74   2.633  -8.032   1.806
  593   3HD2  LEU  74          3HD2      LEU  74   1.956  -7.407   0.303
  594    HA   PRO  75           HA       PRO  75   8.197  -3.921   2.697
  595   1HB   PRO  75          2HB       PRO  75   9.963  -6.334   2.843
  596   2HB   PRO  75          1HB       PRO  75   9.841  -4.965   3.955
  597   1HG   PRO  75          2HG       PRO  75   8.693  -7.313   4.521
  598   2HG   PRO  75          1HG       PRO  75   7.925  -5.778   4.959
  599   1HD   PRO  75          2HD       PRO  75   7.195  -7.719   2.853
  600   2HD   PRO  75          1HD       PRO  75   6.178  -6.544   3.709
  601    H    GLU  76           H        GLU  76   9.451  -6.687   0.829
  602    HA   GLU  76           HA       GLU  76  11.250  -5.091  -0.689
  603   1HB   GLU  76          2HB       GLU  76  10.182  -7.861  -1.271
  604   2HB   GLU  76          1HB       GLU  76  11.589  -7.120  -2.023
  605   1HG   GLU  76          2HG       GLU  76  11.265  -7.964   0.841
  606   2HG   GLU  76          1HG       GLU  76  12.363  -8.629  -0.368
  607    H    LEU  77           H        LEU  77   8.005  -6.326  -1.172
  608    HA   LEU  77           HA       LEU  77   7.675  -5.691  -3.881
  609   1HB   LEU  77          2HB       LEU  77   6.012  -7.053  -3.016
  610   2HB   LEU  77          1HB       LEU  77   5.839  -6.096  -1.562
  611    HG   LEU  77           HG       LEU  77   3.920  -6.113  -3.282
  612   1HD1  LEU  77          1HD1      LEU  77   3.163  -4.383  -2.120
  613   2HD1  LEU  77          2HD1      LEU  77   4.376  -3.300  -2.803
  614   3HD1  LEU  77          3HD1      LEU  77   4.763  -4.272  -1.385
  615   1HD2  LEU  77          1HD2      LEU  77   5.989  -5.083  -4.917
  616   2HD2  LEU  77          2HD2      LEU  77   4.818  -3.790  -4.659
  617   3HD2  LEU  77          3HD2      LEU  77   4.292  -5.338  -5.322
  618    H    VAL  78           H        VAL  78   6.982  -3.797  -0.961
  619    HA   VAL  78           HA       VAL  78   6.034  -1.505  -2.301
  620    HB   VAL  78           HB       VAL  78   7.157  -1.915   0.468
  621   1HG1  VAL  78          1HG1      VAL  78   6.795   0.596  -0.926
  622   2HG1  VAL  78          2HG1      VAL  78   7.498   0.279   0.659
  623   3HG1  VAL  78          3HG1      VAL  78   5.756   0.491   0.494
  624   1HG2  VAL  78          1HG2      VAL  78   4.529  -2.047  -0.792
  625   2HG2  VAL  78          2HG2      VAL  78   4.557  -1.056   0.667
  626   3HG2  VAL  78          3HG2      VAL  78   5.093  -2.735   0.731
  627    H    ASN  79           H        ASN  79   9.222  -2.683  -1.528
  628    HA   ASN  79           HA       ASN  79  10.665  -0.280  -1.881
  629   1HB   ASN  79          2HB       ASN  79  11.594  -2.372  -0.863
  630   2HB   ASN  79          1HB       ASN  79  11.611  -3.098  -2.468
  631   1HD2  ASN  79          1HD2      ASN  79  13.418  -1.498  -0.227
  632   2HD2  ASN  79          2HD2      ASN  79  14.674  -0.899  -1.251
  633    H    TYR  80           H        TYR  80   9.895  -2.948  -4.099
  634    HA   TYR  80           HA       TYR  80  11.018  -1.695  -6.395
  635   1HB   TYR  80          2HB       TYR  80  10.724  -4.102  -6.355
  636   2HB   TYR  80          1HB       TYR  80   8.989  -3.926  -6.119
  637    HD1  TYR  80           HD1      TYR  80   7.716  -4.405  -7.973
  638    HD2  TYR  80           HD2      TYR  80  11.554  -2.658  -8.537
  639    HE1  TYR  80           HE1      TYR  80   7.379  -4.463 -10.408
  640    HE2  TYR  80           HE2      TYR  80  11.227  -2.710 -10.973
  641    HH   TYR  80           HH       TYR  80   8.657  -4.439 -12.446
  642    H    HIS  81           H        HIS  81   7.842  -1.823  -4.911
  643    HA   HIS  81           HA       HIS  81   6.323  -0.602  -6.921
  644   1HB   HIS  81          2HB       HIS  81   5.951  -1.405  -4.221
  645   2HB   HIS  81          1HB       HIS  81   5.443   0.276  -4.324
  646    HD1  HIS  81           HD1      HIS  81   2.954   0.063  -4.305
  647    HD2  HIS  81           HD2      HIS  81   4.743  -2.514  -7.028
  648    HE1  HIS  81           HE1      HIS  81   1.062  -0.971  -5.603
  649    HE2  HIS  81           HE2      HIS  81   2.175  -2.449  -7.310
  650    H    ARG  82           H        ARG  82   8.551   0.660  -4.562
  651    HA   ARG  82           HA       ARG  82   7.807   3.387  -4.841
  652   1HB   ARG  82          2HB       ARG  82   8.869   2.840  -2.805
  653   2HB   ARG  82          1HB       ARG  82  10.156   1.971  -3.624
  654   1HG   ARG  82          2HG       ARG  82  11.230   3.948  -4.283
  655   2HG   ARG  82          1HG       ARG  82   9.809   4.935  -3.935
  656   1HD   ARG  82          2HD       ARG  82  10.202   3.936  -1.502
  657   2HD   ARG  82          1HD       ARG  82  11.858   3.827  -2.097
  658    HE   ARG  82           HE       ARG  82  10.467   6.193  -1.338
  659   1HH1  ARG  82          2HH1      ARG  82  12.886   4.963  -3.532
  660   2HH1  ARG  82          1HH1      ARG  82  13.689   6.488  -3.700
  661   1HH2  ARG  82          1HH2      ARG  82  11.521   8.200  -1.557
  662   2HH2  ARG  82          2HH2      ARG  82  12.916   8.325  -2.577
  663    H    ALA  83           H        ALA  83  10.052   1.285  -6.382
  664    HA   ALA  83           HA       ALA  83  11.439   3.364  -7.788
  665   1HB   ALA  83          1HB       ALA  83  12.515   1.216  -7.245
  666   2HB   ALA  83          2HB       ALA  83  12.556   1.565  -8.972
  667   3HB   ALA  83          3HB       ALA  83  11.398   0.398  -8.337
  668    H    GLN  84           H        GLN  84   9.352   0.710  -8.886
  669    HA   GLN  84           HA       GLN  84   8.718   2.228 -11.302
  670   1HB   GLN  84          2HB       GLN  84   9.165  -0.511 -10.767
  671   2HB   GLN  84          1HB       GLN  84   7.485  -0.358 -11.260
  672   1HG   GLN  84          2HG       GLN  84   9.848   0.685 -12.804
  673   2HG   GLN  84          1HG       GLN  84   8.989  -0.818 -13.140
  674   1HE2  GLN  84          1HE2      GLN  84   8.865   2.648 -13.261
  675   2HE2  GLN  84          2HE2      GLN  84   7.478   2.768 -14.285
  676    H    SER  85           H        SER  85   6.826   3.192 -11.635
  677    HA   SER  85           HA       SER  85   4.673   2.805  -9.678
  678   1HB   SER  85          2HB       SER  85   3.969   4.799 -11.573
  679   2HB   SER  85          1HB       SER  85   4.424   5.021  -9.885
  680    HG   SER  85           HG       SER  85   5.746   6.166 -11.457
  681    H    LEU  86           H        LEU  86   5.386   0.897 -11.841
  682    HA   LEU  86           HA       LEU  86   3.923   0.827 -14.086
  683   1HB   LEU  86          2HB       LEU  86   5.433  -0.958 -13.232
  684   2HB   LEU  86          1HB       LEU  86   4.135  -1.507 -12.190
  685    HG   LEU  86           HG       LEU  86   2.783  -1.724 -14.408
  686   1HD1  LEU  86          1HD1      LEU  86   4.598  -2.528 -16.162
  687   2HD1  LEU  86          2HD1      LEU  86   5.567  -1.303 -15.342
  688   3HD1  LEU  86          3HD1      LEU  86   4.037  -0.858 -16.097
  689   1HD2  LEU  86          1HD2      LEU  86   4.999  -3.709 -14.054
  690   2HD2  LEU  86          2HD2      LEU  86   3.311  -3.989 -14.482
  691   3HD2  LEU  86          3HD2      LEU  86   3.738  -3.523 -12.836
  692    H    SER  87           H        SER  87   2.594  -0.873 -11.252
  693    HA   SER  87           HA       SER  87  -0.085  -0.062 -12.168
  694   1HB   SER  87          2HB       SER  87   0.817  -2.604 -11.954
  695   2HB   SER  87          1HB       SER  87   0.156  -2.376 -10.336
  696    HG   SER  87           HG       SER  87  -1.801  -1.657 -11.409
  697    H    HIS  88           H        HIS  88   1.727   1.396 -10.345
  698    HA   HIS  88           HA       HIS  88   0.030   1.352  -7.943
  699   1HB   HIS  88          2HB       HIS  88   2.353   0.668  -7.492
  700   2HB   HIS  88          1HB       HIS  88   2.926   2.202  -8.140
  701    HD1  HIS  88           HD1      HIS  88   0.766   0.900  -5.316
  702    HD2  HIS  88           HD2      HIS  88   3.106   4.190  -6.282
  703    HE1  HIS  88           HE1      HIS  88   0.868   2.287  -3.228
  704    HE2  HIS  88           HE2      HIS  88   2.215   4.318  -3.862
  705    H    GLY  89           H        GLY  89  -0.123   3.498  -6.833
  706   1HA   GLY  89          2HA       GLY  89  -1.206   5.389  -8.600
  707   2HA   GLY  89          1HA       GLY  89  -0.907   5.646  -6.894
  708    H    LEU  90           H        LEU  90   1.794   5.656  -6.665
  709    HA   LEU  90           HA       LEU  90   3.039   7.227  -8.704
  710   1HB   LEU  90          2HB       LEU  90   1.714   9.007  -7.945
  711   2HB   LEU  90          1HB       LEU  90   1.890   8.544  -6.268
  712    HG   LEU  90           HG       LEU  90   4.463   9.228  -7.384
  713   1HD1  LEU  90          1HD1      LEU  90   3.976  10.953  -8.688
  714   2HD1  LEU  90          2HD1      LEU  90   3.350  11.780  -7.262
  715   3HD1  LEU  90          3HD1      LEU  90   2.263  10.846  -8.288
  716   1HD2  LEU  90          1HD2      LEU  90   3.043  10.850  -5.334
  717   2HD2  LEU  90          2HD2      LEU  90   4.723  10.319  -5.388
  718   3HD2  LEU  90          3HD2      LEU  90   3.450   9.176  -4.959
  719    H    ARG  91           H        ARG  91   4.117   5.064  -7.926
  720    HA   ARG  91           HA       ARG  91   5.819   3.986  -6.845
  721   1HB   ARG  91          2HB       ARG  91   6.774   6.716  -7.528
  722   2HB   ARG  91          1HB       ARG  91   7.820   5.713  -6.535
  723   1HG   ARG  91          2HG       ARG  91   8.013   4.073  -8.220
  724   2HG   ARG  91          1HG       ARG  91   6.681   4.768  -9.147
  725   1HD   ARG  91          2HD       ARG  91   8.303   6.894  -9.067
  726   2HD   ARG  91          1HD       ARG  91   9.512   5.616  -8.951
  727    HE   ARG  91           HE       ARG  91   7.893   4.872 -11.031
  728   1HH1  ARG  91          2HH1      ARG  91   9.833   7.673 -10.274
  729   2HH1  ARG  91          1HH1      ARG  91  10.158   8.050 -11.932
  730   1HH2  ARG  91          1HH2      ARG  91   8.319   5.367 -13.212
  731   2HH2  ARG  91          2HH2      ARG  91   9.298   6.743 -13.601
  732    H    LEU  92           H        LEU  92   5.381   3.313  -4.811
  733    HA   LEU  92           HA       LEU  92   4.675   4.681  -2.571
  734   1HB   LEU  92          2HB       LEU  92   6.405   2.255  -2.882
  735   2HB   LEU  92          1HB       LEU  92   5.945   2.868  -1.301
  736    HG   LEU  92           HG       LEU  92   4.003   2.015  -3.451
  737   1HD1  LEU  92          1HD1      LEU  92   4.350   0.585  -0.868
  738   2HD1  LEU  92          2HD1      LEU  92   5.481   0.271  -2.183
  739   3HD1  LEU  92          3HD1      LEU  92   3.758  -0.008  -2.419
  740   1HD2  LEU  92          1HD2      LEU  92   2.416   2.985  -2.240
  741   2HD2  LEU  92          2HD2      LEU  92   3.664   3.682  -1.221
  742   3HD2  LEU  92          3HD2      LEU  92   2.945   2.130  -0.797
  743    H    ALA  93           H        ALA  93   5.570   6.276  -1.379
  744    HA   ALA  93           HA       ALA  93   8.505   6.551  -1.490
  745   1HB   ALA  93          1HB       ALA  93   7.108   9.048  -1.003
  746   2HB   ALA  93          2HB       ALA  93   6.670   8.311  -2.544
  747   3HB   ALA  93          3HB       ALA  93   8.361   8.658  -2.182
  748    H    ALA  94           H        ALA  94   5.967   8.211   0.384
  749    HA   ALA  94           HA       ALA  94   7.551   7.652   2.794
  750   1HB   ALA  94          1HB       ALA  94   6.727  10.045   1.816
  751   2HB   ALA  94          2HB       ALA  94   7.108   9.735   3.510
  752   3HB   ALA  94          3HB       ALA  94   5.434   9.678   2.957
  753    HA   PRO  95           HA       PRO  95   3.974   5.718   4.655
  754   1HB   PRO  95          2HB       PRO  95   4.160   6.366   7.185
  755   2HB   PRO  95          1HB       PRO  95   5.561   5.671   6.378
  756   1HG   PRO  95          2HG       PRO  95   5.036   8.509   7.116
  757   2HG   PRO  95          1HG       PRO  95   6.556   7.600   7.169
  758   1HD   PRO  95          2HD       PRO  95   5.674   9.309   5.093
  759   2HD   PRO  95          1HD       PRO  95   7.065   8.206   5.044
  760    H    CYS  96           H        CYS  96   1.983   5.980   6.065
  761    HA   CYS  96           HA       CYS  96   0.674   8.529   5.428
  762   1HB   CYS  96          2HB       CYS  96  -1.426   7.368   5.524
  763   2HB   CYS  96          1HB       CYS  96  -0.331   6.412   4.533
  764    HG   CYS  96           HG       CYS  96  -1.438   4.727   6.076
  765    H    ARG  97           H        ARG  97  -1.118   9.122   7.043
  766    HA   ARG  97           HA       ARG  97  -0.348   8.510   9.800
  767   1HB   ARG  97          2HB       ARG  97  -0.842  11.352   8.930
  768   2HB   ARG  97          1HB       ARG  97  -0.186  10.780  10.458
  769   1HG   ARG  97          2HG       ARG  97   1.647   9.793   8.746
  770   2HG   ARG  97          1HG       ARG  97   1.145  11.246   7.880
  771   1HD   ARG  97          2HD       ARG  97   1.975  11.235  10.776
  772   2HD   ARG  97          1HD       ARG  97   3.091  11.533   9.447
  773    HE   ARG  97           HE       ARG  97   1.999  13.571   9.010
  774   1HH1  ARG  97          2HH1      ARG  97   0.660  11.927  11.792
  775   2HH1  ARG  97          1HH1      ARG  97  -0.135  13.342  12.392
  776   1HH2  ARG  97          1HH2      ARG  97   0.954  15.423   9.808
  777   2HH2  ARG  97          2HH2      ARG  97   0.031  15.323  11.270
  778    H    LYS  98           H        LYS  98  -2.020   8.432  11.215
  779    HA   LYS  98           HA       LYS  98  -4.693   8.658  10.082
  780   1HB   LYS  98          2HB       LYS  98  -3.524   6.851  11.818
  781   2HB   LYS  98          1HB       LYS  98  -4.511   7.841  12.884
  782   1HG   LYS  98          2HG       LYS  98  -5.551   6.515  10.391
  783   2HG   LYS  98          1HG       LYS  98  -5.638   5.801  12.003
  784   1HD   LYS  98          2HD       LYS  98  -7.543   6.899  12.332
  785   2HD   LYS  98          1HD       LYS  98  -6.639   8.413  12.257
  786   1HE   LYS  98          2HE       LYS  98  -7.933   8.899  10.500
  787   2HE   LYS  98          1HE       LYS  98  -6.926   7.757   9.610
  788   1HZ   LYS  98          1HZ       LYS  98  -9.150   7.133   9.233
  789   2HZ   LYS  98          2HZ       LYS  98  -9.560   7.255  10.870
  790   3HZ   LYS  98          3HZ       LYS  98  -8.548   6.006  10.343
  791    H    HIS  99           H        HIS  99  -6.276  10.025  10.817
  792    HA   HIS  99           HA       HIS  99  -5.372  12.161  12.630
  793   1HB   HIS  99          2HB       HIS  99  -6.041  12.684  10.198
  794   2HB   HIS  99          1HB       HIS  99  -7.694  12.385  10.726
  795    HD1  HIS  99           HD1      HIS  99  -6.678  13.801  13.625
  796    HD2  HIS  99           HD2      HIS  99  -6.995  15.391   9.799
  797    HE1  HIS  99           HE1      HIS  99  -6.871  16.288  13.945
  798    HE2  HIS  99           HE2      HIS  99  -7.145  17.222  11.621
  799    H    GLU 100           HN       GLU 100  -6.143  11.951  14.619
  800    HA   GLU 100           HA       GLU 100  -8.357  10.325  15.297
  801   1HB   GLU 100          2HB       GLU 100  -6.353  11.035  16.756
  802   2HB   GLU 100          1HB       GLU 100  -7.267  12.506  17.058
  803   1HG   GLU 100          2HG       GLU 100  -9.082  11.222  18.009
  804   2HG   GLU 100          1HG       GLU 100  -8.242   9.718  17.636
  Start of MODEL   13
    1   1H    SER   1          1H        SER   1  11.881   3.884   0.627
    2   2H    SER   1          2H        SER   1  12.699   3.450   2.072
    3   3H    SER   1          3H        SER   1  11.312   4.460   2.137
    4    HA   SER   1           HA       SER   1  10.086   2.571   1.084
    5   1HB   SER   1          2HB       SER   1  12.171   0.823   2.303
    6   2HB   SER   1          1HB       SER   1  11.089   0.504   0.947
    7    HG   SER   1           HG       SER   1  12.411   2.059  -0.238
    8    H    GLU   2           H        GLU   2   8.529   2.820   2.558
    9    HA   GLU   2           HA       GLU   2   8.598   1.496   5.035
   10   1HB   GLU   2          2HB       GLU   2  10.097   3.392   5.619
   11   2HB   GLU   2          1HB       GLU   2   8.786   4.505   5.253
   12   1HG   GLU   2          2HG       GLU   2   7.459   3.610   7.049
   13   2HG   GLU   2          1HG       GLU   2   8.669   2.367   7.367
   14    HA   PRO   3           HA       PRO   3   4.406   2.655   3.534
   15   1HB   PRO   3          2HB       PRO   3   3.409   0.192   3.289
   16   2HB   PRO   3          1HB       PRO   3   4.497   0.860   2.067
   17   1HG   PRO   3          2HG       PRO   3   5.083  -1.071   4.275
   18   2HG   PRO   3          1HG       PRO   3   5.655  -1.082   2.598
   19   1HD   PRO   3          2HD       PRO   3   7.112  -0.142   4.750
   20   2HD   PRO   3          1HD       PRO   3   7.387   0.329   3.062
   21    H    TRP   4           H        TRP   4   5.368   0.306   5.994
   22    HA   TRP   4           HA       TRP   4   4.606  -0.109   8.095
   23   1HB   TRP   4          2HB       TRP   4   4.671   2.341   8.373
   24   2HB   TRP   4          1HB       TRP   4   3.035   2.453   7.734
   25    HD1  TRP   4           HD1      TRP   4   1.186   0.874   9.280
   26    HE1  TRP   4           HE1      TRP   4   0.992   0.844  11.846
   27    HE3  TRP   4           HE3      TRP   4   5.822   2.676  10.466
   28    HZ2  TRP   4           HZ2      TRP   4   2.593   1.496  14.078
   29    HZ3  TRP   4           HZ3      TRP   4   6.411   2.944  12.841
   30    HH2  TRP   4           HH2      TRP   4   4.828   2.365  14.608
   31    H    PHE   5           H        PHE   5   3.477  -1.961   7.805
   32    HA   PHE   5           HA       PHE   5   0.839  -1.968   6.649
   33   1HB   PHE   5          2HB       PHE   5   0.886  -4.392   7.143
   34   2HB   PHE   5          1HB       PHE   5   2.313  -3.864   6.257
   35    HD1  PHE   5           HD1      PHE   5   1.041  -5.035   9.487
   36    HD2  PHE   5           HD2      PHE   5   4.490  -3.918   7.260
   37    HE1  PHE   5           HE1      PHE   5   2.477  -6.029  11.221
   38    HE2  PHE   5           HE2      PHE   5   5.933  -4.909   8.989
   39    HZ   PHE   5           HZ       PHE   5   4.926  -5.967  10.973
   40    H    PHE   6           H        PHE   6  -1.113  -2.450   7.704
   41    HA   PHE   6           HA       PHE   6  -1.022  -1.991  10.614
   42   1HB   PHE   6          2HB       PHE   6  -2.523  -0.710   8.583
   43   2HB   PHE   6          1HB       PHE   6  -3.662  -1.639   9.552
   44    HD1  PHE   6           HD1      PHE   6  -1.638   1.304   9.363
   45    HD2  PHE   6           HD2      PHE   6  -3.675  -1.289  12.054
   46    HE1  PHE   6           HE1      PHE   6  -1.587   3.058  11.087
   47    HE2  PHE   6           HE2      PHE   6  -3.629   0.461  13.782
   48    HZ   PHE   6           HZ       PHE   6  -2.584   2.639  13.300
   49    H    GLY   7           H        GLY   7  -2.600  -3.107  11.930
   50   1HA   GLY   7          2HA       GLY   7  -2.997  -5.834  10.942
   51   2HA   GLY   7          1HA       GLY   7  -3.020  -5.333  12.623
   52    H    CYS   8           H        CYS   8  -4.851  -3.012  11.558
   53    HA   CYS   8           HA       CYS   8  -7.248  -4.382  10.808
   54   1HB   CYS   8          2HB       CYS   8  -6.710  -3.808  13.656
   55   2HB   CYS   8          1HB       CYS   8  -8.311  -3.360  13.076
   56    HG   CYS   8           HG       CYS   8  -7.598  -6.226  12.377
   57    H    ILE   9           H        ILE   9  -6.770  -2.645   9.202
   58    HA   ILE   9           HA       ILE   9  -7.938  -0.087  10.091
   59    HB   ILE   9           HB       ILE   9  -6.774   0.951   8.119
   60   1HG1  ILE   9          2HG1      ILE   9  -5.095  -1.559   8.178
   61   2HG1  ILE   9          1HG1      ILE   9  -6.320  -1.221   6.956
   62   1HG2  ILE   9          1HG2      ILE   9  -5.864   1.469  10.202
   63   2HG2  ILE   9          2HG2      ILE   9  -4.488   0.910   9.252
   64   3HG2  ILE   9          3HG2      ILE   9  -5.237  -0.162  10.436
   65   1HD1  ILE   9          1HD1      ILE   9  -4.575   1.017   7.177
   66   2HD1  ILE   9          2HD1      ILE   9  -4.875  -0.039   5.797
   67   3HD1  ILE   9          3HD1      ILE   9  -3.625  -0.454   6.970
   68    H    SER  10           H        SER  10  -9.813   0.439   9.190
   69    HA   SER  10           HA       SER  10 -10.964  -1.271   7.180
   70   1HB   SER  10          2HB       SER  10 -12.082   1.232   8.465
   71   2HB   SER  10          1HB       SER  10 -12.990   0.073   7.493
   72    HG   SER  10           HG       SER  10 -11.601  -0.656   9.850
   73    H    ARG  11           H        ARG  11 -12.016  -0.404   5.236
   74    HA   ARG  11           HA       ARG  11 -10.218   0.993   3.612
   75   1HB   ARG  11          2HB       ARG  11 -12.316  -0.557   3.078
   76   2HB   ARG  11          1HB       ARG  11 -13.107   1.003   2.903
   77   1HG   ARG  11          2HG       ARG  11 -11.783   1.612   1.093
   78   2HG   ARG  11          1HG       ARG  11 -10.543   0.416   1.477
   79   1HD   ARG  11          2HD       ARG  11 -11.624  -1.237   0.394
   80   2HD   ARG  11          1HD       ARG  11 -13.208  -0.694   0.943
   81    HE   ARG  11           HE       ARG  11 -12.034   1.016  -1.042
   82   1HH1  ARG  11          2HH1      ARG  11 -13.941  -1.859  -0.514
   83   2HH1  ARG  11          1HH1      ARG  11 -14.707  -1.787  -2.065
   84   1HH2  ARG  11          1HH2      ARG  11 -13.041   1.112  -3.084
   85   2HH2  ARG  11          2HH2      ARG  11 -14.197  -0.101  -3.524
   86    H    SER  12           H        SER  12 -12.528   2.113   5.834
   87    HA   SER  12           HA       SER  12 -12.902   4.709   4.653
   88   1HB   SER  12          2HB       SER  12 -13.684   3.494   7.299
   89   2HB   SER  12          1HB       SER  12 -13.953   5.199   6.942
   90    HG   SER  12           HG       SER  12 -15.178   4.514   5.112
   91    H    GLU  13           H        GLU  13 -10.824   3.266   7.082
   92    HA   GLU  13           HA       GLU  13  -9.811   5.783   8.031
   93   1HB   GLU  13          2HB       GLU  13  -8.340   3.204   8.395
   94   2HB   GLU  13          1HB       GLU  13  -8.460   4.579   9.483
   95   1HG   GLU  13          2HG       GLU  13 -10.860   3.986   9.845
   96   2HG   GLU  13          1HG       GLU  13 -10.578   2.518   8.910
   97    H    ALA  14           H        ALA  14  -8.692   3.276   5.796
   98    HA   ALA  14           HA       ALA  14  -6.125   4.304   5.371
   99   1HB   ALA  14          1HB       ALA  14  -6.191   2.994   3.257
  100   2HB   ALA  14          2HB       ALA  14  -7.892   2.653   3.577
  101   3HB   ALA  14          3HB       ALA  14  -6.651   2.074   4.689
  102    H    VAL  15           H        VAL  15  -9.160   4.870   3.604
  103    HA   VAL  15           HA       VAL  15  -8.081   6.568   1.640
  104    HB   VAL  15           HB       VAL  15 -10.871   6.775   2.766
  105   1HG1  VAL  15          1HG1      VAL  15 -11.438   7.580   0.528
  106   2HG1  VAL  15          2HG1      VAL  15  -9.745   7.447   0.052
  107   3HG1  VAL  15          3HG1      VAL  15 -10.224   8.604   1.294
  108   1HG2  VAL  15          1HG2      VAL  15 -10.481   5.199   0.329
  109   2HG2  VAL  15          2HG2      VAL  15 -11.511   4.893   1.726
  110   3HG2  VAL  15          3HG2      VAL  15  -9.800   4.472   1.783
  111    H    ARG  16           H        ARG  16  -9.406   7.260   4.849
  112    HA   ARG  16           HA       ARG  16  -8.947  10.096   4.564
  113   1HB   ARG  16          2HB       ARG  16 -10.509   8.442   6.261
  114   2HB   ARG  16          1HB       ARG  16  -9.412   9.358   7.286
  115   1HG   ARG  16          2HG       ARG  16 -10.678  11.159   7.086
  116   2HG   ARG  16          1HG       ARG  16 -10.523  11.110   5.329
  117   1HD   ARG  16          2HD       ARG  16 -12.573   9.684   7.017
  118   2HD   ARG  16          1HD       ARG  16 -12.856  11.031   5.916
  119    HE   ARG  16           HE       ARG  16 -11.800   9.146   4.300
  120   1HH1  ARG  16          2HH1      ARG  16 -14.429   9.095   6.595
  121   2HH1  ARG  16          1HH1      ARG  16 -15.322   7.887   5.736
  122   1HH2  ARG  16          1HH2      ARG  16 -12.971   7.556   3.169
  123   2HH2  ARG  16          2HH2      ARG  16 -14.493   7.010   3.789
  124    H    ARG  17           H        ARG  17  -7.199   7.382   5.577
  125    HA   ARG  17           HA       ARG  17  -5.370   8.792   7.307
  126   1HB   ARG  17          2HB       ARG  17  -5.804   6.491   7.846
  127   2HB   ARG  17          1HB       ARG  17  -5.416   5.971   6.213
  128   1HG   ARG  17          2HG       ARG  17  -3.139   6.188   6.543
  129   2HG   ARG  17          1HG       ARG  17  -3.337   7.327   7.876
  130   1HD   ARG  17          2HD       ARG  17  -4.625   5.028   8.740
  131   2HD   ARG  17          1HD       ARG  17  -3.188   4.430   7.912
  132    HE   ARG  17           HE       ARG  17  -2.102   6.289   9.443
  133   1HH1  ARG  17          2HH1      ARG  17  -4.537   3.916  10.253
  134   2HH1  ARG  17          1HH1      ARG  17  -4.058   3.813  11.913
  135   1HH2  ARG  17          1HH2      ARG  17  -1.473   6.145  11.624
  136   2HH2  ARG  17          2HH2      ARG  17  -2.320   5.075  12.691
  137    H    LEU  18           H        LEU  18  -5.375   7.429   4.043
  138    HA   LEU  18           HA       LEU  18  -2.718   8.135   3.379
  139   1HB   LEU  18          2HB       LEU  18  -5.133   7.304   1.892
  140   2HB   LEU  18          1HB       LEU  18  -3.859   8.094   0.985
  141    HG   LEU  18           HG       LEU  18  -3.545   5.755   0.785
  142   1HD1  LEU  18          1HD1      LEU  18  -1.323   5.518   1.529
  143   2HD1  LEU  18          2HD1      LEU  18  -1.576   6.621   2.878
  144   3HD1  LEU  18          3HD1      LEU  18  -1.555   7.238   1.227
  145   1HD2  LEU  18          1HD2      LEU  18  -4.854   5.014   2.680
  146   2HD2  LEU  18          2HD2      LEU  18  -3.638   5.641   3.792
  147   3HD2  LEU  18          3HD2      LEU  18  -3.249   4.294   2.723
  148    H    GLN  19           H        GLN  19  -5.798   9.663   3.072
  149    HA   GLN  19           HA       GLN  19  -4.922  11.947   1.602
  150   1HB   GLN  19          2HB       GLN  19  -7.446  11.106   2.939
  151   2HB   GLN  19          1HB       GLN  19  -7.239  12.811   2.568
  152   1HG   GLN  19          2HG       GLN  19  -6.502  11.349   0.265
  153   2HG   GLN  19          1HG       GLN  19  -8.026  10.687   0.854
  154   1HE2  GLN  19          1HE2      GLN  19  -6.402  13.631  -0.157
  155   2HE2  GLN  19          2HE2      GLN  19  -7.832  14.485  -0.617
  156    H    ALA  20           H        ALA  20  -4.953  11.141   4.968
  157    HA   ALA  20           HA       ALA  20  -5.246  13.478   6.319
  158   1HB   ALA  20          1HB       ALA  20  -3.364  12.624   7.834
  159   2HB   ALA  20          2HB       ALA  20  -3.278  11.252   6.730
  160   3HB   ALA  20          3HB       ALA  20  -4.772  11.586   7.605
  161    H    GLU  21           H        GLU  21  -3.562  14.986   7.252
  162    HA   GLU  21           HA       GLU  21  -1.954  15.959   5.064
  163   1HB   GLU  21          2HB       GLU  21  -1.516  17.916   6.628
  164   2HB   GLU  21          1HB       GLU  21  -3.182  17.685   6.112
  165   1HG   GLU  21          2HG       GLU  21  -2.442  16.313   8.600
  166   2HG   GLU  21          1HG       GLU  21  -2.410  18.075   8.667
  167    H    GLY  22           H        GLY  22  -1.358  13.651   6.886
  168   1HA   GLY  22          2HA       GLY  22   1.337  14.395   7.777
  169   2HA   GLY  22          1HA       GLY  22   0.491  12.909   8.200
  170    H    ASN  23           H        ASN  23  -0.276  13.079   5.153
  171    HA   ASN  23           HA       ASN  23   2.008  11.469   4.263
  172   1HB   ASN  23          2HB       ASN  23  -0.852  11.641   3.318
  173   2HB   ASN  23          1HB       ASN  23   0.385  10.671   2.528
  174   1HD2  ASN  23          1HD2      ASN  23  -1.019   8.875   2.991
  175   2HD2  ASN  23          2HD2      ASN  23  -0.984   8.138   4.553
  176    H    ALA  24           H        ALA  24   3.409  12.336   2.921
  177    HA   ALA  24           HA       ALA  24   2.552  14.614   1.288
  178   1HB   ALA  24          1HB       ALA  24   5.410  13.842   1.782
  179   2HB   ALA  24          2HB       ALA  24   4.505  14.830   2.929
  180   3HB   ALA  24          3HB       ALA  24   4.760  15.402   1.280
  181    H    THR  25           H        THR  25   1.539  12.788   0.048
  182    HA   THR  25           HA       THR  25   1.389  11.513  -1.791
  183    HB   THR  25           HB       THR  25   2.880  12.121  -3.698
  184    HG1  THR  25           HG1      THR  25   4.000  14.068  -2.000
  185   1HG2  THR  25          1HG2      THR  25   2.023  14.265  -4.057
  186   2HG2  THR  25          2HG2      THR  25   1.943  14.613  -2.329
  187   3HG2  THR  25          3HG2      THR  25   0.828  13.450  -3.047
  188    H    GLY  26           H        GLY  26   1.904   9.521  -2.455
  189   1HA   GLY  26          2HA       GLY  26   3.230   7.625  -2.809
  190   2HA   GLY  26          1HA       GLY  26   4.579   8.441  -2.028
  191    H    ALA  27           H        ALA  27   2.466   9.170   0.134
  192    HA   ALA  27           HA       ALA  27   3.197   7.351   2.070
  193   1HB   ALA  27          1HB       ALA  27   1.335   8.182   3.367
  194   2HB   ALA  27          2HB       ALA  27   0.568   8.818   1.913
  195   3HB   ALA  27          3HB       ALA  27   2.077   9.522   2.492
  196    H    PHE  28           H        PHE  28   2.858   5.238   2.144
  197    HA   PHE  28           HA       PHE  28   0.329   4.156   1.056
  198   1HB   PHE  28          2HB       PHE  28   2.958   3.774   0.139
  199   2HB   PHE  28          1HB       PHE  28   2.533   2.281   0.955
  200    HD1  PHE  28           HD1      PHE  28   3.025   3.102  -2.102
  201    HD2  PHE  28           HD2      PHE  28  -0.378   2.218   0.251
  202    HE1  PHE  28           HE1      PHE  28   1.882   2.273  -4.099
  203    HE2  PHE  28           HE2      PHE  28  -1.548   1.409  -1.764
  204    HZ   PHE  28           HZ       PHE  28  -0.407   1.427  -3.937
  205    H    LEU  29           H        LEU  29  -0.217   2.039   1.993
  206    HA   LEU  29           HA       LEU  29   0.956   1.342   4.552
  207   1HB   LEU  29          2HB       LEU  29  -1.283   1.340   5.672
  208   2HB   LEU  29          1HB       LEU  29  -0.616   2.926   5.356
  209    HG   LEU  29           HG       LEU  29  -2.382   3.536   4.114
  210   1HD1  LEU  29          1HD1      LEU  29  -3.273   2.390   2.275
  211   2HD1  LEU  29          2HD1      LEU  29  -2.776   0.824   2.899
  212   3HD1  LEU  29          3HD1      LEU  29  -1.578   1.946   2.275
  213   1HD2  LEU  29          1HD2      LEU  29  -3.913   1.101   4.670
  214   2HD2  LEU  29          2HD2      LEU  29  -4.294   2.790   5.003
  215   3HD2  LEU  29          3HD2      LEU  29  -3.202   1.905   6.069
  216    H    ILE  30           H        ILE  30   0.408  -0.797   5.230
  217    HA   ILE  30           HA       ILE  30  -1.000  -2.301   3.127
  218    HB   ILE  30           HB       ILE  30   0.868  -3.872   4.742
  219   1HG1  ILE  30          2HG1      ILE  30   1.786  -1.419   3.372
  220   2HG1  ILE  30          1HG1      ILE  30   2.574  -2.372   4.619
  221   1HG2  ILE  30          1HG2      ILE  30   1.007  -3.778   1.804
  222   2HG2  ILE  30          2HG2      ILE  30  -0.555  -4.222   2.483
  223   3HG2  ILE  30          3HG2      ILE  30   0.879  -5.157   2.893
  224   1HD1  ILE  30          1HD1      ILE  30   3.388  -3.921   2.974
  225   2HD1  ILE  30          2HD1      ILE  30   3.832  -2.281   2.510
  226   3HD1  ILE  30          3HD1      ILE  30   2.493  -3.093   1.702
  227    H    ARG  31           H        ARG  31  -2.806  -3.158   3.728
  228    HA   ARG  31           HA       ARG  31  -3.120  -3.990   6.539
  229   1HB   ARG  31          2HB       ARG  31  -5.478  -3.502   6.351
  230   2HB   ARG  31          1HB       ARG  31  -4.574  -2.089   5.832
  231   1HG   ARG  31          2HG       ARG  31  -4.882  -3.228   3.468
  232   2HG   ARG  31          1HG       ARG  31  -6.291  -3.915   4.274
  233   1HD   ARG  31          2HD       ARG  31  -6.265  -1.202   4.970
  234   2HD   ARG  31          1HD       ARG  31  -5.876  -1.255   3.254
  235    HE   ARG  31           HE       ARG  31  -8.283  -2.498   4.422
  236   1HH1  ARG  31          2HH1      ARG  31  -6.693  -0.751   1.838
  237   2HH1  ARG  31          1HH1      ARG  31  -8.128  -0.633   0.879
  238   1HH2  ARG  31          1HH2      ARG  31 -10.158  -2.333   3.153
  239   2HH2  ARG  31          2HH2      ARG  31 -10.089  -1.527   1.622
  240    H    VAL  32           H        VAL  32  -5.413  -5.472   6.280
  241    HA   VAL  32           HA       VAL  32  -4.406  -7.741   4.740
  242    HB   VAL  32           HB       VAL  32  -6.118  -9.073   5.961
  243   1HG1  VAL  32          1HG1      VAL  32  -4.013  -7.517   7.400
  244   2HG1  VAL  32          2HG1      VAL  32  -4.048  -9.227   6.968
  245   3HG1  VAL  32          3HG1      VAL  32  -5.047  -8.632   8.295
  246   1HG2  VAL  32          1HG2      VAL  32  -7.665  -8.188   7.346
  247   2HG2  VAL  32          2HG2      VAL  32  -7.401  -6.738   6.379
  248   3HG2  VAL  32          3HG2      VAL  32  -6.579  -6.927   7.927
  249    H    SER  33           H        SER  33  -6.039  -9.132   3.659
  250    HA   SER  33           HA       SER  33  -7.268  -7.744   1.589
  251   1HB   SER  33          2HB       SER  33  -8.553 -10.071   1.400
  252   2HB   SER  33          1HB       SER  33  -6.843  -9.920   0.996
  253    HG   SER  33           HG       SER  33  -7.491 -11.686   2.474
  254    H    GLU  34           H        GLU  34  -8.566  -6.113   2.628
  255    HA   GLU  34           HA       GLU  34 -10.773  -6.736   4.283
  256   1HB   GLU  34          2HB       GLU  34  -9.662  -4.382   3.020
  257   2HB   GLU  34          1HB       GLU  34 -11.414  -4.386   2.887
  258   1HG   GLU  34          2HG       GLU  34  -9.841  -4.651   5.439
  259   2HG   GLU  34          1HG       GLU  34 -10.666  -3.199   4.874
  260    H    LYS  35           H        LYS  35 -10.199  -7.069   0.977
  261    HA   LYS  35           HA       LYS  35 -13.000  -7.793   0.506
  262   1HB   LYS  35          2HB       LYS  35 -11.378  -6.729  -1.770
  263   2HB   LYS  35          1HB       LYS  35 -13.117  -6.728  -1.541
  264   1HG   LYS  35          2HG       LYS  35 -12.963  -4.601  -0.954
  265   2HG   LYS  35          1HG       LYS  35 -12.126  -5.121   0.509
  266   1HD   LYS  35          2HD       LYS  35 -10.391  -3.916  -0.217
  267   2HD   LYS  35          1HD       LYS  35 -10.152  -5.176  -1.428
  268   1HE   LYS  35          2HE       LYS  35 -12.158  -3.564  -2.481
  269   2HE   LYS  35          1HE       LYS  35 -11.018  -2.433  -1.755
  270   1HZ   LYS  35          1HZ       LYS  35 -10.398  -4.519  -3.774
  271   2HZ   LYS  35          2HZ       LYS  35  -9.237  -3.556  -3.009
  272   3HZ   LYS  35          3HZ       LYS  35 -10.395  -2.844  -4.015
  273    HA   PRO  36           HA       PRO  36 -10.085 -10.433  -2.535
  274   1HB   PRO  36          2HB       PRO  36  -7.531 -10.484  -1.302
  275   2HB   PRO  36          1HB       PRO  36  -7.946  -9.760  -2.856
  276   1HG   PRO  36          2HG       PRO  36  -7.645  -8.485  -0.195
  277   2HG   PRO  36          1HG       PRO  36  -7.327  -7.822  -1.805
  278   1HD   PRO  36          2HD       PRO  36  -9.471  -7.084  -0.405
  279   2HD   PRO  36          1HD       PRO  36  -9.552  -7.292  -2.163
  280    H    SER  37           H        SER  37  -8.909 -12.565  -1.954
  281    HA   SER  37           HA       SER  37 -10.321 -13.729   0.247
  282   1HB   SER  37          2HB       SER  37 -10.089 -15.090  -1.691
  283   2HB   SER  37          1HB       SER  37  -8.344 -14.842  -1.744
  284    HG   SER  37           HG       SER  37  -8.891 -16.879  -0.864
  285    H    ALA  38           H        ALA  38  -6.938 -14.533  -0.352
  286    HA   ALA  38           HA       ALA  38  -6.342 -13.793   2.439
  287   1HB   ALA  38          1HB       ALA  38  -6.311 -16.335   1.372
  288   2HB   ALA  38          2HB       ALA  38  -5.499 -15.820   2.851
  289   3HB   ALA  38          3HB       ALA  38  -4.614 -15.857   1.326
  290    H    ASP  39           H        ASP  39  -5.895 -11.740   1.105
  291    HA   ASP  39           HA       ASP  39  -3.037 -11.741   0.412
  292   1HB   ASP  39          2HB       ASP  39  -5.152 -10.133  -1.031
  293   2HB   ASP  39          1HB       ASP  39  -3.446 -10.251  -1.442
  294    H    TYR  40           H        TYR  40  -2.701  -9.061  -0.066
  295    HA   TYR  40           HA       TYR  40  -3.673  -7.705   2.357
  296   1HB   TYR  40          2HB       TYR  40  -0.848  -8.237   1.581
  297   2HB   TYR  40          1HB       TYR  40  -1.188  -6.560   1.992
  298    HD1  TYR  40           HD1      TYR  40  -0.320  -6.163   4.095
  299    HD2  TYR  40           HD2      TYR  40  -2.511  -9.747   3.425
  300    HE1  TYR  40           HE1      TYR  40  -0.151  -6.707   6.488
  301    HE2  TYR  40           HE2      TYR  40  -2.350 -10.300   5.815
  302    HH   TYR  40           HH       TYR  40  -1.947  -8.555   8.085
  303    H    VAL  41           H        VAL  41  -4.283  -5.650   2.041
  304    HA   VAL  41           HA       VAL  41  -4.029  -4.729  -0.742
  305    HB   VAL  41           HB       VAL  41  -5.996  -3.230  -0.215
  306   1HG1  VAL  41          1HG1      VAL  41  -7.102  -4.789  -1.370
  307   2HG1  VAL  41          2HG1      VAL  41  -7.222  -5.820   0.055
  308   3HG1  VAL  41          3HG1      VAL  41  -5.816  -5.937  -1.001
  309   1HG2  VAL  41          1HG2      VAL  41  -7.338  -4.663   1.700
  310   2HG2  VAL  41          2HG2      VAL  41  -6.513  -3.129   1.971
  311   3HG2  VAL  41          3HG2      VAL  41  -5.697  -4.645   2.339
  312    H    LEU  42           H        LEU  42  -2.989  -2.968  -1.188
  313    HA   LEU  42           HA       LEU  42  -2.107  -1.313   1.054
  314   1HB   LEU  42          2HB       LEU  42  -0.375  -2.629  -0.098
  315   2HB   LEU  42          1HB       LEU  42  -0.751  -1.784  -1.586
  316    HG   LEU  42           HG       LEU  42  -0.300   0.306  -0.043
  317   1HD1  LEU  42          1HD1      LEU  42   0.283  -1.586   1.765
  318   2HD1  LEU  42          2HD1      LEU  42   1.047   0.006   1.741
  319   3HD1  LEU  42          3HD1      LEU  42   1.869  -1.378   1.024
  320   1HD2  LEU  42          1HD2      LEU  42   0.789  -0.342  -2.176
  321   2HD2  LEU  42          2HD2      LEU  42   1.928  -1.308  -1.240
  322   3HD2  LEU  42          3HD2      LEU  42   1.869   0.438  -1.024
  323    H    SER  43           H        SER  43  -2.602   0.817   1.030
  324    HA   SER  43           HA       SER  43  -3.536   1.998  -1.483
  325   1HB   SER  43          2HB       SER  43  -5.436   2.721  -0.638
  326   2HB   SER  43          1HB       SER  43  -5.149   1.508   0.608
  327    HG   SER  43           HG       SER  43  -5.458   4.042   1.000
  328    H    VAL  44           H        VAL  44  -2.606   3.726  -2.164
  329    HA   VAL  44           HA       VAL  44  -0.771   5.181  -0.326
  330    HB   VAL  44           HB       VAL  44   0.189   3.863  -2.240
  331   1HG1  VAL  44          1HG1      VAL  44  -0.324   6.061  -4.098
  332   2HG1  VAL  44          2HG1      VAL  44  -1.645   4.928  -3.811
  333   3HG1  VAL  44          3HG1      VAL  44  -0.094   4.340  -4.404
  334   1HG2  VAL  44          1HG2      VAL  44   1.467   6.185  -2.964
  335   2HG2  VAL  44          2HG2      VAL  44   1.909   5.116  -1.635
  336   3HG2  VAL  44          3HG2      VAL  44   0.868   6.503  -1.341
  337    H    ARG  45           H        ARG  45  -0.556   7.413  -0.486
  338    HA   ARG  45           HA       ARG  45  -2.871   8.852  -1.456
  339   1HB   ARG  45          2HB       ARG  45  -1.464   9.456   0.637
  340   2HB   ARG  45          1HB       ARG  45  -0.286  10.095  -0.499
  341   1HG   ARG  45          2HG       ARG  45  -2.200  11.497  -1.430
  342   2HG   ARG  45          1HG       ARG  45  -3.074  11.053   0.038
  343   1HD   ARG  45          2HD       ARG  45  -2.014  12.656   1.149
  344   2HD   ARG  45          1HD       ARG  45  -0.470  11.883   0.796
  345    HE   ARG  45           HE       ARG  45  -0.090  13.440  -0.851
  346   1HH1  ARG  45          2HH1      ARG  45  -3.415  13.651   0.193
  347   2HH1  ARG  45          1HH1      ARG  45  -3.720  15.124  -0.664
  348   1HH2  ARG  45          1HH2      ARG  45  -0.491  15.378  -1.977
  349   2HH2  ARG  45          2HH2      ARG  45  -2.062  16.104  -1.897
  350    H    ASP  46           H        ASP  46  -0.097   7.567  -2.684
  351    HA   ASP  46           HA       ASP  46   1.219   7.857  -4.511
  352   1HB   ASP  46          2HB       ASP  46  -0.514   8.890  -6.440
  353   2HB   ASP  46          1HB       ASP  46  -0.184   7.195  -6.111
  354    H    THR  47           H        THR  47  -0.817  10.461  -5.580
  355    HA   THR  47           HA       THR  47   1.301  12.391  -4.949
  356    HB   THR  47           HB       THR  47   1.526  11.674  -7.304
  357    HG1  THR  47           HG1      THR  47   1.906  13.903  -6.570
  358   1HG2  THR  47          1HG2      THR  47  -1.241  11.737  -7.381
  359   2HG2  THR  47          2HG2      THR  47  -0.144  11.512  -8.743
  360   3HG2  THR  47          3HG2      THR  47  -0.735  13.125  -8.343
  361    H    GLN  48           H        GLN  48  -1.738  11.632  -4.302
  362    HA   GLN  48           HA       GLN  48  -2.491  14.088  -3.287
  363   1HB   GLN  48          2HB       GLN  48  -2.930  13.934  -6.117
  364   2HB   GLN  48          1HB       GLN  48  -4.472  14.083  -5.284
  365   1HG   GLN  48          2HG       GLN  48  -3.713  16.089  -4.167
  366   2HG   GLN  48          1HG       GLN  48  -2.122  15.926  -4.911
  367   1HE2  GLN  48          1HE2      GLN  48  -2.278  15.697  -7.390
  368   2HE2  GLN  48          2HE2      GLN  48  -3.309  16.840  -8.174
  369    H    ALA  49           H        ALA  49  -4.707  12.212  -5.210
  370    HA   ALA  49           HA       ALA  49  -6.403  11.714  -2.966
  371   1HB   ALA  49          1HB       ALA  49  -6.972  11.969  -5.520
  372   2HB   ALA  49          2HB       ALA  49  -7.953  10.947  -4.469
  373   3HB   ALA  49          3HB       ALA  49  -6.738  10.221  -5.520
  374    H    VAL  50           H        VAL  50  -7.248   9.413  -2.580
  375    HA   VAL  50           HA       VAL  50  -4.922   7.747  -2.052
  376    HB   VAL  50           HB       VAL  50  -7.789   7.332  -1.181
  377   1HG1  VAL  50          1HG1      VAL  50  -6.646   5.780   0.485
  378   2HG1  VAL  50          2HG1      VAL  50  -5.227   5.873  -0.559
  379   3HG1  VAL  50          3HG1      VAL  50  -6.739   5.214  -1.184
  380   1HG2  VAL  50          1HG2      VAL  50  -7.080   9.239  -0.055
  381   2HG2  VAL  50          2HG2      VAL  50  -5.427   8.650   0.105
  382   3HG2  VAL  50          3HG2      VAL  50  -6.715   7.936   1.074
  383    H    ARG  51           H        ARG  51  -4.546   5.799  -2.871
  384    HA   ARG  51           HA       ARG  51  -6.481   4.659  -4.754
  385   1HB   ARG  51          2HB       ARG  51  -3.506   4.714  -5.273
  386   2HB   ARG  51          1HB       ARG  51  -4.783   4.219  -6.378
  387   1HG   ARG  51          2HG       ARG  51  -5.629   6.568  -6.312
  388   2HG   ARG  51          1HG       ARG  51  -4.185   6.998  -5.407
  389   1HD   ARG  51          2HD       ARG  51  -3.148   7.303  -7.350
  390   2HD   ARG  51          1HD       ARG  51  -3.267   5.570  -7.626
  391    HE   ARG  51           HE       ARG  51  -4.934   7.650  -8.786
  392   1HH1  ARG  51          2HH1      ARG  51  -4.391   4.229  -8.320
  393   2HH1  ARG  51          1HH1      ARG  51  -5.390   3.766  -9.656
  394   1HH2  ARG  51          1HH2      ARG  51  -6.246   7.036 -10.537
  395   2HH2  ARG  51          2HH2      ARG  51  -6.442   5.356 -10.913
  396    H    HIS  52           H        HIS  52  -7.066   2.820  -3.815
  397    HA   HIS  52           HA       HIS  52  -5.234   1.431  -2.069
  398   1HB   HIS  52          2HB       HIS  52  -8.084   0.769  -2.895
  399   2HB   HIS  52          1HB       HIS  52  -7.171  -0.053  -1.624
  400    HD1  HIS  52           HD1      HIS  52  -6.883   1.129   0.576
  401    HD2  HIS  52           HD2      HIS  52  -8.855   3.430  -2.253
  402    HE1  HIS  52           HE1      HIS  52  -7.455   3.260   1.734
  403    HE2  HIS  52           HE2      HIS  52  -8.585   4.677  -0.003
  404    H    TYR  53           H        TYR  53  -4.752  -0.897  -2.322
  405    HA   TYR  53           HA       TYR  53  -5.047  -1.898  -5.050
  406   1HB   TYR  53          2HB       TYR  53  -2.361  -1.440  -3.753
  407   2HB   TYR  53          1HB       TYR  53  -2.633  -2.216  -5.313
  408    HD1  TYR  53           HD1      TYR  53  -2.292   0.935  -3.561
  409    HD2  TYR  53           HD2      TYR  53  -3.614  -0.878  -7.170
  410    HE1  TYR  53           HE1      TYR  53  -2.182   3.114  -4.697
  411    HE2  TYR  53           HE2      TYR  53  -3.507   1.292  -8.317
  412    HH   TYR  53           HH       TYR  53  -2.382   3.439  -8.081
  413    H    LYS  54           H        LYS  54  -5.083  -4.046  -5.218
  414    HA   LYS  54           HA       LYS  54  -5.022  -5.617  -2.791
  415   1HB   LYS  54          2HB       LYS  54  -6.829  -6.076  -4.325
  416   2HB   LYS  54          1HB       LYS  54  -5.706  -6.295  -5.660
  417   1HG   LYS  54          2HG       LYS  54  -4.777  -8.272  -4.445
  418   2HG   LYS  54          1HG       LYS  54  -6.088  -8.095  -3.279
  419   1HD   LYS  54          2HD       LYS  54  -7.107  -9.559  -4.681
  420   2HD   LYS  54          1HD       LYS  54  -7.520  -8.073  -5.539
  421   1HE   LYS  54          2HE       LYS  54  -5.400  -8.404  -6.873
  422   2HE   LYS  54          1HE       LYS  54  -5.297 -10.009  -6.150
  423   1HZ   LYS  54          1HZ       LYS  54  -6.549  -9.515  -8.437
  424   2HZ   LYS  54          2HZ       LYS  54  -7.845  -9.318  -7.368
  425   3HZ   LYS  54          3HZ       LYS  54  -6.989 -10.777  -7.399
  426    H    ILE  55           H        ILE  55  -3.120  -6.318  -2.090
  427    HA   ILE  55           HA       ILE  55  -0.945  -6.796  -3.973
  428    HB   ILE  55           HB       ILE  55  -0.660  -7.300  -1.051
  429   1HG1  ILE  55          2HG1      ILE  55  -0.214  -4.494  -1.921
  430   2HG1  ILE  55          1HG1      ILE  55  -1.883  -4.982  -1.652
  431   1HG2  ILE  55          1HG2      ILE  55   1.066  -7.251  -3.177
  432   2HG2  ILE  55          2HG2      ILE  55   1.520  -7.171  -1.475
  433   3HG2  ILE  55          3HG2      ILE  55   1.338  -5.687  -2.409
  434   1HD1  ILE  55          1HD1      ILE  55   0.047  -4.225   0.244
  435   2HD1  ILE  55          2HD1      ILE  55  -0.313  -5.926   0.510
  436   3HD1  ILE  55          3HD1      ILE  55  -1.615  -4.738   0.520
  437    H    TRP  56           H        TRP  56  -1.365  -8.668  -4.988
  438    HA   TRP  56           HA       TRP  56  -2.462 -10.927  -3.575
  439   1HB   TRP  56          2HB       TRP  56  -3.077 -10.288  -5.917
  440   2HB   TRP  56          1HB       TRP  56  -1.472 -10.799  -6.423
  441    HD1  TRP  56           HD1      TRP  56  -2.558 -13.183  -3.868
  442    HE1  TRP  56           HE1      TRP  56  -3.518 -15.317  -4.935
  443    HE3  TRP  56           HE3      TRP  56  -3.150 -11.497  -8.656
  444    HZ2  TRP  56           HZ2      TRP  56  -4.409 -16.173  -7.472
  445    HZ3  TRP  56           HZ3      TRP  56  -4.063 -13.037 -10.344
  446    HH2  TRP  56           HH2      TRP  56  -4.680 -15.327  -9.762
  447    H    ARG  57           H        ARG  57  -1.412 -12.465  -2.609
  448    HA   ARG  57           HA       ARG  57   1.470 -12.653  -2.796
  449   1HB   ARG  57          2HB       ARG  57   0.467 -12.797  -0.599
  450   2HB   ARG  57          1HB       ARG  57  -0.575 -14.115  -1.114
  451   1HG   ARG  57          2HG       ARG  57   1.669 -15.344  -1.595
  452   2HG   ARG  57          1HG       ARG  57   2.341 -14.141  -0.492
  453   1HD   ARG  57          2HD       ARG  57   0.689 -14.809   1.207
  454   2HD   ARG  57          1HD       ARG  57   0.073 -16.039   0.105
  455    HE   ARG  57           HE       ARG  57   2.692 -16.656   0.277
  456   1HH1  ARG  57          2HH1      ARG  57   0.247 -16.052   2.694
  457   2HH1  ARG  57          1HH1      ARG  57   0.967 -17.105   3.864
  458   1HH2  ARG  57          1HH2      ARG  57   3.639 -18.041   1.817
  459   2HH2  ARG  57          2HH2      ARG  57   2.893 -18.232   3.368
  460    H    ARG  58           H        ARG  58   2.492 -13.977  -4.118
  461    HA   ARG  58           HA       ARG  58   1.299 -15.588  -6.009
  462   1HB   ARG  58          2HB       ARG  58   4.031 -15.228  -4.961
  463   2HB   ARG  58          1HB       ARG  58   3.739 -16.708  -5.863
  464   1HG   ARG  58          2HG       ARG  58   2.581 -14.717  -7.412
  465   2HG   ARG  58          1HG       ARG  58   4.078 -14.002  -6.812
  466   1HD   ARG  58          2HD       ARG  58   4.813 -16.569  -7.544
  467   2HD   ARG  58          1HD       ARG  58   3.672 -16.084  -8.797
  468    HE   ARG  58           HE       ARG  58   6.324 -15.172  -8.503
  469   1HH1  ARG  58          2HH1      ARG  58   3.133 -14.018  -9.314
  470   2HH1  ARG  58          1HH1      ARG  58   3.717 -12.728 -10.312
  471   1HH2  ARG  58          1HH2      ARG  58   7.094 -13.479  -9.816
  472   2HH2  ARG  58          2HH2      ARG  58   5.966 -12.423 -10.597
  473    H    ALA  59           H        ALA  59   3.560 -17.347  -4.099
  474    HA   ALA  59           HA       ALA  59   1.617 -18.983  -2.762
  475   1HB   ALA  59          1HB       ALA  59   2.553 -21.078  -3.991
  476   2HB   ALA  59          2HB       ALA  59   2.937 -19.927  -5.271
  477   3HB   ALA  59          3HB       ALA  59   1.268 -20.127  -4.738
  478    H    GLY  60           H        GLY  60   2.832 -18.459  -0.934
  479   1HA   GLY  60          2HA       GLY  60   4.331 -19.658   0.572
  480   2HA   GLY  60          1HA       GLY  60   5.436 -19.844  -0.782
  481    H    GLY  61           H        GLY  61   4.899 -17.026  -1.637
  482   1HA   GLY  61          2HA       GLY  61   5.349 -15.041   0.109
  483   2HA   GLY  61          1HA       GLY  61   6.921 -15.821   0.060
  484    H    ARG  62           H        ARG  62   4.614 -13.888  -1.681
  485    HA   ARG  62           HA       ARG  62   6.497 -12.489  -3.147
  486   1HB   ARG  62          2HB       ARG  62   5.909 -15.053  -4.303
  487   2HB   ARG  62          1HB       ARG  62   5.356 -13.778  -5.380
  488   1HG   ARG  62          2HG       ARG  62   7.637 -12.748  -5.164
  489   2HG   ARG  62          1HG       ARG  62   8.136 -14.224  -4.333
  490   1HD   ARG  62          2HD       ARG  62   7.256 -15.473  -6.370
  491   2HD   ARG  62          1HD       ARG  62   7.197 -13.904  -7.171
  492    HE   ARG  62           HE       ARG  62   9.512 -15.484  -6.679
  493   1HH1  ARG  62          2HH1      ARG  62   8.390 -12.189  -6.920
  494   2HH1  ARG  62          1HH1      ARG  62   9.939 -11.563  -7.375
  495   1HH2  ARG  62          1HH2      ARG  62  11.551 -14.662  -7.277
  496   2HH2  ARG  62          2HH2      ARG  62  11.734 -12.967  -7.578
  497    H    LEU  63           H        LEU  63   5.261 -10.755  -2.701
  498    HA   LEU  63           HA       LEU  63   2.446 -10.683  -3.357
  499   1HB   LEU  63          2HB       LEU  63   4.363  -8.732  -2.117
  500   2HB   LEU  63          1HB       LEU  63   2.765  -8.227  -2.627
  501    HG   LEU  63           HG       LEU  63   2.735  -8.711  -0.268
  502   1HD1  LEU  63          1HD1      LEU  63   0.883 -10.181  -0.184
  503   2HD1  LEU  63          2HD1      LEU  63   1.383 -11.008  -1.660
  504   3HD1  LEU  63          3HD1      LEU  63   0.792  -9.348  -1.737
  505   1HD2  LEU  63          1HD2      LEU  63   4.632 -10.590  -0.814
  506   2HD2  LEU  63          2HD2      LEU  63   3.211 -11.589  -0.510
  507   3HD2  LEU  63          3HD2      LEU  63   3.762 -10.444   0.714
  508    H    HIS  64           H        HIS  64   1.480  -9.295  -4.851
  509    HA   HIS  64           HA       HIS  64   3.093  -7.714  -6.616
  510   1HB   HIS  64          2HB       HIS  64   2.625  -8.872  -8.660
  511   2HB   HIS  64          1HB       HIS  64   3.324 -10.031  -7.539
  512    HD1  HIS  64           HD1      HIS  64   0.287  -9.321  -9.519
  513    HD2  HIS  64           HD2      HIS  64   1.487 -11.990  -6.568
  514    HE1  HIS  64           HE1      HIS  64  -1.431 -11.157  -9.535
  515    HE2  HIS  64           HE2      HIS  64  -0.640 -12.800  -7.795
  516    H    LEU  65           H        LEU  65   1.874  -5.944  -6.212
  517    HA   LEU  65           HA       LEU  65  -0.911  -5.901  -5.938
  518   1HB   LEU  65          2HB       LEU  65   1.000  -3.729  -6.789
  519   2HB   LEU  65          1HB       LEU  65  -0.696  -3.449  -6.449
  520    HG   LEU  65           HG       LEU  65  -0.200  -4.442  -4.128
  521   1HD1  LEU  65          1HD1      LEU  65   2.259  -3.844  -3.538
  522   2HD1  LEU  65          2HD1      LEU  65   2.542  -4.079  -5.260
  523   3HD1  LEU  65          3HD1      LEU  65   1.898  -5.400  -4.285
  524   1HD2  LEU  65          1HD2      LEU  65  -0.025  -1.834  -5.204
  525   2HD2  LEU  65          2HD2      LEU  65   1.264  -1.997  -4.011
  526   3HD2  LEU  65          3HD2      LEU  65  -0.408  -2.312  -3.551
  527    H    ASN  66           H        ASN  66   1.157  -5.902  -8.665
  528    HA   ASN  66           HA       ASN  66  -1.144  -6.013 -10.465
  529   1HB   ASN  66          2HB       ASN  66   0.200  -3.726 -10.368
  530   2HB   ASN  66          1HB       ASN  66   1.310  -4.604 -11.416
  531   1HD2  ASN  66          1HD2      ASN  66   0.625  -2.807 -12.861
  532   2HD2  ASN  66          2HD2      ASN  66  -0.770  -3.065 -13.848
  533    H    GLU  67           H        GLU  67  -0.270  -6.689 -12.754
  534    HA   GLU  67           HA       GLU  67   1.084  -9.194 -12.347
  535   1HB   GLU  67          2HB       GLU  67   0.686  -9.510 -14.782
  536   2HB   GLU  67          1HB       GLU  67  -0.773  -9.150 -13.869
  537   1HG   GLU  67          2HG       GLU  67  -0.789  -6.893 -14.657
  538   2HG   GLU  67          1HG       GLU  67   0.790  -7.098 -15.416
  539    H    ALA  68           H        ALA  68   2.594  -6.574 -12.062
  540    HA   ALA  68           HA       ALA  68   4.894  -7.425 -13.622
  541   1HB   ALA  68          1HB       ALA  68   4.230  -5.900 -15.192
  542   2HB   ALA  68          2HB       ALA  68   5.225  -4.877 -14.156
  543   3HB   ALA  68          3HB       ALA  68   3.468  -4.842 -14.003
  544    H    VAL  69           H        VAL  69   3.819  -6.825 -10.670
  545    HA   VAL  69           HA       VAL  69   6.414  -5.736  -9.813
  546    HB   VAL  69           HB       VAL  69   5.366  -4.405  -8.061
  547   1HG1  VAL  69          1HG1      VAL  69   4.016  -2.844  -9.698
  548   2HG1  VAL  69          2HG1      VAL  69   4.693  -3.923 -10.917
  549   3HG1  VAL  69          3HG1      VAL  69   5.764  -3.027  -9.840
  550   1HG2  VAL  69          1HG2      VAL  69   2.657  -4.454  -9.123
  551   2HG2  VAL  69          2HG2      VAL  69   3.222  -4.559  -7.455
  552   3HG2  VAL  69          3HG2      VAL  69   3.157  -6.009  -8.458
  553    H    SER  70           H        SER  70   6.353  -8.304  -9.745
  554    HA   SER  70           HA       SER  70   5.153  -9.342  -7.323
  555   1HB   SER  70          2HB       SER  70   6.728 -11.370  -8.195
  556   2HB   SER  70          1HB       SER  70   5.098 -11.070  -8.797
  557    HG   SER  70           HG       SER  70   7.564 -10.323  -9.966
  558    H    PHE  71           H        PHE  71   6.142  -9.702  -5.417
  559    HA   PHE  71           HA       PHE  71   9.019  -9.817  -5.192
  560   1HB   PHE  71          2HB       PHE  71   7.549  -7.361  -4.605
  561   2HB   PHE  71          1HB       PHE  71   8.531  -7.923  -3.253
  562    HD1  PHE  71           HD1      PHE  71  10.906  -7.865  -3.343
  563    HD2  PHE  71           HD2      PHE  71   8.602  -6.819  -6.760
  564    HE1  PHE  71           HE1      PHE  71  12.923  -6.950  -4.414
  565    HE2  PHE  71           HE2      PHE  71  10.613  -5.901  -7.841
  566    HZ   PHE  71           HZ       PHE  71  12.778  -5.966  -6.668
  567    H    LEU  72           H        LEU  72   9.521 -11.243  -3.810
  568    HA   LEU  72           HA       LEU  72   8.262 -13.062  -2.502
  569   1HB   LEU  72          2HB       LEU  72   9.954 -12.824  -0.581
  570   2HB   LEU  72          1HB       LEU  72  10.543 -13.092  -2.213
  571    HG   LEU  72           HG       LEU  72  10.640 -10.447  -2.258
  572   1HD1  LEU  72          1HD1      LEU  72  10.197  -9.483  -0.304
  573   2HD1  LEU  72          2HD1      LEU  72  11.613 -10.281   0.375
  574   3HD1  LEU  72          3HD1      LEU  72  10.030 -11.048   0.488
  575   1HD2  LEU  72          1HD2      LEU  72  12.671 -11.364  -2.658
  576   2HD2  LEU  72          2HD2      LEU  72  12.542 -12.514  -1.327
  577   3HD2  LEU  72          3HD2      LEU  72  12.981 -10.838  -1.003
  578    H    SER  73           H        SER  73   8.439  -9.803  -1.042
  579    HA   SER  73           HA       SER  73   6.081 -10.457   0.524
  580   1HB   SER  73          2HB       SER  73   8.165 -11.088   1.853
  581   2HB   SER  73          1HB       SER  73   8.500  -9.359   1.942
  582    HG   SER  73           HG       SER  73   7.098 -10.593   3.629
  583    H    LEU  74           H        LEU  74   5.465  -8.485   1.950
  584    HA   LEU  74           HA       LEU  74   4.872  -6.344   0.274
  585   1HB   LEU  74          2HB       LEU  74   4.632  -6.894   3.144
  586   2HB   LEU  74          1HB       LEU  74   4.746  -5.193   2.737
  587    HG   LEU  74           HG       LEU  74   2.457  -5.650   2.809
  588   1HD1  LEU  74          1HD1      LEU  74   3.381  -4.490   0.711
  589   2HD1  LEU  74          2HD1      LEU  74   1.713  -5.059   0.681
  590   3HD1  LEU  74          3HD1      LEU  74   2.973  -5.988  -0.122
  591   1HD2  LEU  74          1HD2      LEU  74   3.235  -8.229   1.607
  592   2HD2  LEU  74          2HD2      LEU  74   1.663  -7.577   1.140
  593   3HD2  LEU  74          3HD2      LEU  74   2.028  -7.866   2.841
  594    HA   PRO  75           HA       PRO  75   8.313  -3.825   2.955
  595   1HB   PRO  75          2HB       PRO  75  10.331  -5.871   3.214
  596   2HB   PRO  75          1HB       PRO  75   9.561  -4.920   4.483
  597   1HG   PRO  75          2HG       PRO  75   8.949  -7.642   3.551
  598   2HG   PRO  75          1HG       PRO  75   8.565  -6.869   5.097
  599   1HD   PRO  75          2HD       PRO  75   6.673  -7.410   3.259
  600   2HD   PRO  75          1HD       PRO  75   6.587  -5.971   4.296
  601    H    GLU  76           H        GLU  76   9.250  -6.592   0.913
  602    HA   GLU  76           HA       GLU  76  11.170  -4.996  -0.535
  603   1HB   GLU  76          2HB       GLU  76  10.132  -7.761  -1.183
  604   2HB   GLU  76          1HB       GLU  76  11.586  -7.006  -1.822
  605   1HG   GLU  76          2HG       GLU  76  11.078  -7.961   0.977
  606   2HG   GLU  76          1HG       GLU  76  12.281  -8.541  -0.174
  607    H    LEU  77           H        LEU  77   7.922  -6.230  -0.994
  608    HA   LEU  77           HA       LEU  77   7.610  -5.579  -3.713
  609   1HB   LEU  77          2HB       LEU  77   5.964  -6.991  -2.926
  610   2HB   LEU  77          1HB       LEU  77   5.786  -6.120  -1.420
  611    HG   LEU  77           HG       LEU  77   3.833  -6.059  -3.055
  612   1HD1  LEU  77          1HD1      LEU  77   4.305  -3.255  -2.616
  613   2HD1  LEU  77          2HD1      LEU  77   4.801  -4.204  -1.215
  614   3HD1  LEU  77          3HD1      LEU  77   3.156  -4.340  -1.835
  615   1HD2  LEU  77          1HD2      LEU  77   4.112  -5.260  -5.104
  616   2HD2  LEU  77          2HD2      LEU  77   5.837  -5.099  -4.784
  617   3HD2  LEU  77          3HD2      LEU  77   4.753  -3.746  -4.466
  618    H    VAL  78           H        VAL  78   6.972  -3.755  -0.744
  619    HA   VAL  78           HA       VAL  78   5.953  -1.445  -2.031
  620    HB   VAL  78           HB       VAL  78   6.886  -2.093   0.727
  621   1HG1  VAL  78          1HG1      VAL  78   6.214   0.461   1.145
  622   2HG1  VAL  78          2HG1      VAL  78   6.953   0.628  -0.446
  623   3HG1  VAL  78          3HG1      VAL  78   7.880  -0.057   0.889
  624   1HG2  VAL  78          1HG2      VAL  78   4.661  -2.460   0.685
  625   2HG2  VAL  78          2HG2      VAL  78   4.398  -1.362  -0.670
  626   3HG2  VAL  78          3HG2      VAL  78   4.577  -0.720   0.962
  627    H    ASN  79           H        ASN  79   9.165  -2.522  -1.077
  628    HA   ASN  79           HA       ASN  79  10.556  -0.114  -1.512
  629   1HB   ASN  79          2HB       ASN  79  11.489  -2.175  -0.400
  630   2HB   ASN  79          1HB       ASN  79  11.608  -2.913  -1.995
  631   1HD2  ASN  79          1HD2      ASN  79  13.865  -3.101  -1.628
  632   2HD2  ASN  79          2HD2      ASN  79  14.909  -1.742  -1.845
  633    H    TYR  80           H        TYR  80   9.925  -2.884  -3.642
  634    HA   TYR  80           HA       TYR  80  11.093  -1.765  -5.958
  635   1HB   TYR  80          2HB       TYR  80  10.634  -4.159  -5.785
  636   2HB   TYR  80          1HB       TYR  80   8.907  -3.844  -5.680
  637    HD1  TYR  80           HD1      TYR  80  11.818  -3.295  -7.949
  638    HD2  TYR  80           HD2      TYR  80   7.621  -3.908  -7.614
  639    HE1  TYR  80           HE1      TYR  80  11.651  -3.442 -10.397
  640    HE2  TYR  80           HE2      TYR  80   7.443  -4.058 -10.062
  641    HH   TYR  80           HH       TYR  80   8.606  -3.465 -12.036
  642    H    HIS  81           H        HIS  81   7.946  -1.561  -4.460
  643    HA   HIS  81           HA       HIS  81   6.514  -0.378  -6.567
  644   1HB   HIS  81          2HB       HIS  81   6.029  -1.044  -3.860
  645   2HB   HIS  81          1HB       HIS  81   5.659   0.670  -4.018
  646    HD1  HIS  81           HD1      HIS  81   5.040  -1.912  -6.701
  647    HD2  HIS  81           HD2      HIS  81   2.922   0.461  -4.029
  648    HE1  HIS  81           HE1      HIS  81   2.625  -2.168  -7.345
  649    HE2  HIS  81           HE2      HIS  81   1.380  -0.608  -5.808
  650    H    ARG  82           H        ARG  82   8.849   0.856  -4.305
  651    HA   ARG  82           HA       ARG  82   8.263   3.609  -4.791
  652   1HB   ARG  82          2HB       ARG  82   9.257   3.059  -2.677
  653   2HB   ARG  82          1HB       ARG  82  10.590   2.228  -3.465
  654   1HG   ARG  82          2HG       ARG  82  11.484   4.296  -4.277
  655   2HG   ARG  82          1HG       ARG  82  10.072   5.183  -3.700
  656   1HD   ARG  82          2HD       ARG  82  10.706   4.284  -1.380
  657   2HD   ARG  82          1HD       ARG  82  12.265   3.894  -2.107
  658    HE   ARG  82           HE       ARG  82  11.349   6.467  -1.315
  659   1HH1  ARG  82          2HH1      ARG  82  13.303   4.827  -3.697
  660   2HH1  ARG  82          1HH1      ARG  82  14.309   6.204  -4.002
  661   1HH2  ARG  82          1HH2      ARG  82  12.673   8.277  -1.711
  662   2HH2  ARG  82          2HH2      ARG  82  13.953   8.162  -2.873
  663    H    ALA  83           H        ALA  83  10.214   1.188  -6.208
  664    HA   ALA  83           HA       ALA  83  11.835   3.007  -7.748
  665   1HB   ALA  83          1HB       ALA  83  12.923   0.982  -7.331
  666   2HB   ALA  83          2HB       ALA  83  12.387   0.818  -9.003
  667   3HB   ALA  83          3HB       ALA  83  11.489   0.025  -7.706
  668    H    GLN  84           H        GLN  84   9.482   0.509  -8.633
  669    HA   GLN  84           HA       GLN  84   8.812   1.989 -11.067
  670   1HB   GLN  84          2HB       GLN  84   9.066  -0.775 -10.441
  671   2HB   GLN  84          1HB       GLN  84   7.390  -0.482 -10.884
  672   1HG   GLN  84          2HG       GLN  84   7.888  -0.129 -13.037
  673   2HG   GLN  84          1HG       GLN  84   9.353   0.775 -12.657
  674   1HE2  GLN  84          1HE2      GLN  84   8.356  -1.789 -14.271
  675   2HE2  GLN  84          2HE2      GLN  84   9.710  -2.848 -14.090
  676    H    SER  85           H        SER  85   6.914   3.038 -11.311
  677    HA   SER  85           HA       SER  85   5.014   2.912  -9.090
  678   1HB   SER  85          2HB       SER  85   4.146   4.856 -10.926
  679   2HB   SER  85          1HB       SER  85   4.970   5.128  -9.392
  680    HG   SER  85           HG       SER  85   6.324   6.051 -10.778
  681    H    LEU  86           H        LEU  86   5.048   0.670 -10.768
  682    HA   LEU  86           HA       LEU  86   3.176   0.728 -12.852
  683   1HB   LEU  86          2HB       LEU  86   4.471  -1.338 -11.199
  684   2HB   LEU  86          1HB       LEU  86   2.941  -1.810 -11.913
  685    HG   LEU  86           HG       LEU  86   4.936  -0.541 -13.711
  686   1HD1  LEU  86          1HD1      LEU  86   6.134  -2.617 -14.043
  687   2HD1  LEU  86          2HD1      LEU  86   5.181  -3.399 -12.782
  688   3HD1  LEU  86          3HD1      LEU  86   6.291  -2.092 -12.368
  689   1HD2  LEU  86          1HD2      LEU  86   2.673  -2.444 -13.856
  690   2HD2  LEU  86          2HD2      LEU  86   3.984  -2.662 -15.015
  691   3HD2  LEU  86          3HD2      LEU  86   3.121  -1.125 -14.939
  692    H    SER  87           H        SER  87   2.649  -0.680  -9.612
  693    HA   SER  87           HA       SER  87  -0.220  -0.281  -9.955
  694   1HB   SER  87          2HB       SER  87   1.208  -2.364  -8.898
  695   2HB   SER  87          1HB       SER  87   0.703  -1.502  -7.445
  696    HG   SER  87           HG       SER  87  -1.050  -2.272  -9.539
  697    H    HIS  88           H        HIS  88   2.211   1.594  -8.878
  698    HA   HIS  88           HA       HIS  88   0.525   2.855  -6.819
  699   1HB   HIS  88          2HB       HIS  88   2.471   1.958  -5.740
  700   2HB   HIS  88          1HB       HIS  88   3.536   2.616  -6.969
  701    HD1  HIS  88           HD1      HIS  88   2.214   5.562  -6.820
  702    HD2  HIS  88           HD2      HIS  88   3.662   3.356  -3.665
  703    HE1  HIS  88           HE1      HIS  88   2.794   7.230  -5.058
  704    HE2  HIS  88           HE2      HIS  88   3.791   5.872  -3.201
  705    H    GLY  89           H        GLY  89   0.012   4.948  -7.115
  706   1HA   GLY  89          2HA       GLY  89   0.745   6.155  -9.640
  707   2HA   GLY  89          1HA       GLY  89  -0.448   6.751  -8.504
  708    H    LEU  90           H        LEU  90   3.086   6.173  -8.381
  709    HA   LEU  90           HA       LEU  90   4.332   8.426  -8.562
  710   1HB   LEU  90          2HB       LEU  90   2.737   9.790  -7.471
  711   2HB   LEU  90          1HB       LEU  90   2.653   8.732  -6.081
  712    HG   LEU  90           HG       LEU  90   5.285   9.971  -6.593
  713   1HD1  LEU  90          1HD1      LEU  90   4.050  11.898  -7.115
  714   2HD1  LEU  90          2HD1      LEU  90   4.463  12.066  -5.409
  715   3HD1  LEU  90          3HD1      LEU  90   2.841  11.560  -5.877
  716   1HD2  LEU  90          1HD2      LEU  90   5.529   9.205  -4.522
  717   2HD2  LEU  90          2HD2      LEU  90   3.820   8.782  -4.434
  718   3HD2  LEU  90          3HD2      LEU  90   4.352  10.401  -3.978
  719    H    ARG  91           H        ARG  91   4.287   5.476  -7.382
  720    HA   ARG  91           HA       ARG  91   5.805   4.114  -6.375
  721   1HB   ARG  91          2HB       ARG  91   7.651   6.502  -6.480
  722   2HB   ARG  91          1HB       ARG  91   8.113   4.818  -6.313
  723   1HG   ARG  91          2HG       ARG  91   7.412   4.324  -8.538
  724   2HG   ARG  91          1HG       ARG  91   6.685   5.922  -8.714
  725   1HD   ARG  91          2HD       ARG  91   9.533   5.908  -7.977
  726   2HD   ARG  91          1HD       ARG  91   9.167   5.266  -9.578
  727    HE   ARG  91           HE       ARG  91   7.778   7.632  -9.394
  728   1HH1  ARG  91          2HH1      ARG  91  11.122   6.655  -9.179
  729   2HH1  ARG  91          1HH1      ARG  91  11.730   8.158  -9.786
  730   1HH2  ARG  91          1HH2      ARG  91   8.577   9.609 -10.195
  731   2HH2  ARG  91          2HH2      ARG  91  10.285   9.835 -10.364
  732    H    LEU  92           H        LEU  92   6.305   3.475  -4.292
  733    HA   LEU  92           HA       LEU  92   5.212   4.978  -2.175
  734   1HB   LEU  92          2HB       LEU  92   6.230   2.359  -2.500
  735   2HB   LEU  92          1HB       LEU  92   7.006   3.074  -1.091
  736    HG   LEU  92           HG       LEU  92   4.138   3.573  -1.254
  737   1HD1  LEU  92          1HD1      LEU  92   4.036   1.364  -2.159
  738   2HD1  LEU  92          2HD1      LEU  92   3.490   1.325  -0.484
  739   3HD1  LEU  92          3HD1      LEU  92   5.101   0.751  -0.899
  740   1HD2  LEU  92          1HD2      LEU  92   6.146   2.924   0.813
  741   2HD2  LEU  92          2HD2      LEU  92   4.452   2.575   1.150
  742   3HD2  LEU  92          3HD2      LEU  92   4.950   4.216   0.747
  743    H    ALA  93           H        ALA  93   5.980   6.614  -1.082
  744    HA   ALA  93           HA       ALA  93   8.879   7.119  -1.157
  745   1HB   ALA  93          1HB       ALA  93   6.497   8.869  -1.157
  746   2HB   ALA  93          2HB       ALA  93   8.043   9.051  -1.986
  747   3HB   ALA  93          3HB       ALA  93   7.909   9.447  -0.272
  748    H    ALA  94           H        ALA  94   6.088   7.325   1.054
  749    HA   ALA  94           HA       ALA  94   7.798   6.491   3.257
  750   1HB   ALA  94          1HB       ALA  94   6.163   8.812   3.988
  751   2HB   ALA  94          2HB       ALA  94   7.482   9.167   2.871
  752   3HB   ALA  94          3HB       ALA  94   7.823   8.407   4.425
  753    HA   PRO  95           HA       PRO  95   4.033   4.754   4.816
  754   1HB   PRO  95          2HB       PRO  95   4.102   5.087   7.470
  755   2HB   PRO  95          1HB       PRO  95   5.308   4.102   6.636
  756   1HG   PRO  95          2HG       PRO  95   5.530   6.889   7.683
  757   2HG   PRO  95          1HG       PRO  95   6.727   5.585   7.705
  758   1HD   PRO  95          2HD       PRO  95   6.675   7.665   5.878
  759   2HD   PRO  95          1HD       PRO  95   7.499   6.115   5.629
  760    H    CYS  96           H        CYS  96   1.915   5.070   5.717
  761    HA   CYS  96           HA       CYS  96   0.817   7.620   5.181
  762   1HB   CYS  96          2HB       CYS  96  -1.294   6.682   5.908
  763   2HB   CYS  96          1HB       CYS  96  -0.433   5.486   4.946
  764    HG   CYS  96           HG       CYS  96  -0.270   5.224   8.021
  765    H    ARG  97           H        ARG  97  -0.876   8.437   6.986
  766    HA   ARG  97           HA       ARG  97   0.315   8.504   9.630
  767   1HB   ARG  97          2HB       ARG  97   0.041  10.998   7.943
  768   2HB   ARG  97          1HB       ARG  97   0.389  10.993   9.666
  769   1HG   ARG  97          2HG       ARG  97   2.131   9.725   7.563
  770   2HG   ARG  97          1HG       ARG  97   2.387  11.324   8.263
  771   1HD   ARG  97          2HD       ARG  97   2.049   9.222  10.259
  772   2HD   ARG  97          1HD       ARG  97   3.440   8.971   9.205
  773    HE   ARG  97           HE       ARG  97   3.241  11.637  10.274
  774   1HH1  ARG  97          2HH1      ARG  97   4.450   8.407  10.819
  775   2HH1  ARG  97          1HH1      ARG  97   5.694   8.923  11.907
  776   1HH2  ARG  97          1HH2      ARG  97   4.876  12.315  11.706
  777   2HH2  ARG  97          2HH2      ARG  97   5.936  11.141  12.412
  778    H    LYS  98           H        LYS  98  -1.107   9.185  11.242
  779    HA   LYS  98           HA       LYS  98  -3.558  10.464  10.844
  780   1HB   LYS  98          2HB       LYS  98  -3.743   7.998   9.757
  781   2HB   LYS  98          1HB       LYS  98  -4.218   7.634  11.411
  782   1HG   LYS  98          2HG       LYS  98  -5.899   9.497  11.220
  783   2HG   LYS  98          1HG       LYS  98  -5.522   9.549   9.497
  784   1HD   LYS  98          2HD       LYS  98  -7.205   8.055   9.347
  785   2HD   LYS  98          1HD       LYS  98  -5.958   6.902   9.826
  786   1HE   LYS  98          2HE       LYS  98  -6.622   7.265  12.196
  787   2HE   LYS  98          1HE       LYS  98  -7.949   8.277  11.627
  788   1HZ   LYS  98          1HZ       LYS  98  -8.765   6.339  10.364
  789   2HZ   LYS  98          2HZ       LYS  98  -8.757   6.077  12.035
  790   3HZ   LYS  98          3HZ       LYS  98  -7.553   5.389  11.066
  791    H    HIS  99           H        HIS  99  -2.732   7.541  12.715
  792    HA   HIS  99           HA       HIS  99  -2.653   7.142  14.952
  793   1HB   HIS  99          2HB       HIS  99  -1.240   9.589  14.500
  794   2HB   HIS  99          1HB       HIS  99  -2.097   9.714  16.034
  795    HD1  HIS  99           HD1      HIS  99  -1.235   8.324  17.978
  796    HD2  HIS  99           HD2      HIS  99   0.730   7.538  14.403
  797    HE1  HIS  99           HE1      HIS  99   0.750   6.908  18.598
  798    HE2  HIS  99           HE2      HIS  99   1.880   6.380  16.409
  799    H    GLU 100           HN       GLU 100  -3.648   7.695  17.083
  800    HA   GLU 100           HA       GLU 100  -6.359   8.674  16.628
  801   1HB   GLU 100          2HB       GLU 100  -5.527   6.471  17.915
  802   2HB   GLU 100          1HB       GLU 100  -5.556   7.589  19.272
  803   1HG   GLU 100          2HG       GLU 100  -7.961   8.061  18.030
  804   2HG   GLU 100          1HG       GLU 100  -7.746   6.321  17.844
  Start of MODEL   14
    1   1H    SER   1          1H        SER   1  10.630  -0.427   7.543
    2   2H    SER   1          2H        SER   1   9.716  -1.556   6.631
    3   3H    SER   1          3H        SER   1  10.152  -1.913   8.251
    4    HA   SER   1           HA       SER   1   7.819  -1.203   7.849
    5   1HB   SER   1          2HB       SER   1   9.740   0.035   9.806
    6   2HB   SER   1          1HB       SER   1   8.020   0.424   9.872
    7    HG   SER   1           HG       SER   1   9.336  -1.961  10.448
    8    H    GLU   2           H        GLU   2   8.660  -0.071   5.564
    9    HA   GLU   2           HA       GLU   2   8.687   2.803   5.751
   10   1HB   GLU   2          2HB       GLU   2   8.191   1.428   3.155
   11   2HB   GLU   2          1HB       GLU   2   9.188   2.829   3.509
   12   1HG   GLU   2          2HG       GLU   2  10.902   1.435   3.239
   13   2HG   GLU   2          1HG       GLU   2  10.505   0.870   4.861
   14    HA   PRO   3           HA       PRO   3   4.240   2.283   3.936
   15   1HB   PRO   3          2HB       PRO   3   3.448  -0.478   4.329
   16   2HB   PRO   3          1HB       PRO   3   3.561   0.417   2.820
   17   1HG   PRO   3          2HG       PRO   3   5.205  -1.659   3.492
   18   2HG   PRO   3          1HG       PRO   3   5.670  -0.360   2.383
   19   1HD   PRO   3          2HD       PRO   3   6.366  -0.741   5.267
   20   2HD   PRO   3          1HD       PRO   3   7.370  -0.130   3.936
   21    H    TRP   4           H        TRP   4   4.959  -0.076   6.485
   22    HA   TRP   4           HA       TRP   4   4.293  -0.156   8.677
   23   1HB   TRP   4          2HB       TRP   4   3.491   2.473   8.002
   24   2HB   TRP   4          1HB       TRP   4   2.088   1.704   8.738
   25    HD1  TRP   4           HD1      TRP   4   2.389   0.837  11.304
   26    HE1  TRP   4           HE1      TRP   4   3.953   1.667  13.173
   27    HE3  TRP   4           HE3      TRP   4   5.752   3.433   8.459
   28    HZ2  TRP   4           HZ2      TRP   4   6.300   3.216  13.410
   29    HZ3  TRP   4           HZ3      TRP   4   7.628   4.560   9.583
   30    HH2  TRP   4           HH2      TRP   4   7.895   4.454  12.008
   31    H    PHE   5           H        PHE   5   3.476  -2.174   8.376
   32    HA   PHE   5           HA       PHE   5   1.095  -2.767   6.999
   33   1HB   PHE   5          2HB       PHE   5   1.268  -4.989   8.109
   34   2HB   PHE   5          1HB       PHE   5   2.766  -4.479   7.338
   35    HD1  PHE   5           HD1      PHE   5   4.719  -3.953   8.639
   36    HD2  PHE   5           HD2      PHE   5   1.073  -5.070  10.530
   37    HE1  PHE   5           HE1      PHE   5   5.926  -4.298  10.756
   38    HE2  PHE   5           HE2      PHE   5   2.274  -5.415  12.649
   39    HZ   PHE   5           HZ       PHE   5   4.704  -5.030  12.764
   40    H    PHE   6           H        PHE   6  -0.951  -2.447   7.560
   41    HA   PHE   6           HA       PHE   6  -1.543  -1.836  10.363
   42   1HB   PHE   6          2HB       PHE   6  -2.973  -1.297   7.777
   43   2HB   PHE   6          1HB       PHE   6  -3.823  -1.189   9.315
   44    HD1  PHE   6           HD1      PHE   6  -2.054   0.067  11.126
   45    HD2  PHE   6           HD2      PHE   6  -2.514   0.790   6.960
   46    HE1  PHE   6           HE1      PHE   6  -1.206   2.355  11.435
   47    HE2  PHE   6           HE2      PHE   6  -1.666   3.080   7.259
   48    HZ   PHE   6           HZ       PHE   6  -1.011   3.866   9.499
   49    H    GLY   7           H        GLY   7  -3.230  -2.856  11.498
   50   1HA   GLY   7          2HA       GLY   7  -3.693  -5.604  10.595
   51   2HA   GLY   7          1HA       GLY   7  -3.875  -5.014  12.239
   52    H    CYS   8           H        CYS   8  -5.463  -2.668  11.337
   53    HA   CYS   8           HA       CYS   8  -7.831  -3.842  10.156
   54   1HB   CYS   8          2HB       CYS   8  -7.627  -3.180  13.063
   55   2HB   CYS   8          1HB       CYS   8  -9.155  -2.904  12.233
   56    HG   CYS   8           HG       CYS   8  -8.592  -5.426  13.370
   57    H    ILE   9           H        ILE   9  -7.251  -2.179   8.604
   58    HA   ILE   9           HA       ILE   9  -8.255   0.464   9.438
   59    HB   ILE   9           HB       ILE   9  -6.749   1.515   7.799
   60   1HG1  ILE   9          2HG1      ILE   9  -4.841  -0.630   7.541
   61   2HG1  ILE   9          1HG1      ILE   9  -6.399  -1.135   6.898
   62   1HG2  ILE   9          1HG2      ILE   9  -6.059   1.472  10.098
   63   2HG2  ILE   9          2HG2      ILE   9  -4.648   1.198   9.076
   64   3HG2  ILE   9          3HG2      ILE   9  -5.406  -0.155   9.916
   65   1HD1  ILE   9          1HD1      ILE   9  -5.192   1.487   6.126
   66   2HD1  ILE   9          2HD1      ILE   9  -6.405   0.527   5.281
   67   3HD1  ILE   9          3HD1      ILE   9  -4.726  -0.012   5.323
   68    H    SER  10           H        SER  10 -10.327  -0.256   8.718
   69    HA   SER  10           HA       SER  10 -11.074  -1.338   6.337
   70   1HB   SER  10          2HB       SER  10 -12.427   0.827   7.946
   71   2HB   SER  10          1HB       SER  10 -13.190   0.047   6.561
   72    HG   SER  10           HG       SER  10 -12.701  -1.981   7.735
   73    H    ARG  11           H        ARG  11 -12.114  -0.314   4.432
   74    HA   ARG  11           HA       ARG  11 -10.331   1.215   2.976
   75   1HB   ARG  11          2HB       ARG  11 -12.895   0.056   2.570
   76   2HB   ARG  11          1HB       ARG  11 -12.951   1.706   1.967
   77   1HG   ARG  11          2HG       ARG  11 -11.106   1.290   0.494
   78   2HG   ARG  11          1HG       ARG  11 -10.862  -0.313   1.186
   79   1HD   ARG  11          2HD       ARG  11 -13.328   0.595  -0.292
   80   2HD   ARG  11          1HD       ARG  11 -12.036  -0.388  -0.974
   81    HE   ARG  11           HE       ARG  11 -12.821  -2.214   0.202
   82   1HH1  ARG  11          2HH1      ARG  11 -14.546   0.660   1.184
   83   2HH1  ARG  11          1HH1      ARG  11 -15.778  -0.220   2.024
   84   1HH2  ARG  11          1HH2      ARG  11 -14.441  -3.367   1.301
   85   2HH2  ARG  11          2HH2      ARG  11 -15.719  -2.505   2.091
   86    H    SER  12           H        SER  12 -12.767   2.199   5.173
   87    HA   SER  12           HA       SER  12 -12.949   4.918   4.317
   88   1HB   SER  12          2HB       SER  12 -13.868   3.427   6.764
   89   2HB   SER  12          1HB       SER  12 -14.002   5.183   6.668
   90    HG   SER  12           HG       SER  12 -15.163   3.269   4.927
   91    H    GLU  13           H        GLU  13 -10.893   3.147   6.515
   92    HA   GLU  13           HA       GLU  13  -9.879   5.508   7.808
   93   1HB   GLU  13          2HB       GLU  13  -8.487   2.854   7.829
   94   2HB   GLU  13          1HB       GLU  13  -8.489   4.107   9.060
   95   1HG   GLU  13          2HG       GLU  13 -11.162   3.330   8.768
   96   2HG   GLU  13          1HG       GLU  13 -10.222   1.839   8.762
   97    H    ALA  14           H        ALA  14  -8.403   3.111   5.596
   98    HA   ALA  14           HA       ALA  14  -5.973   4.362   5.274
   99   1HB   ALA  14          1HB       ALA  14  -7.566   2.471   3.641
  100   2HB   ALA  14          2HB       ALA  14  -5.936   2.314   4.291
  101   3HB   ALA  14          3HB       ALA  14  -6.218   3.285   2.848
  102    H    VAL  15           H        VAL  15  -9.030   5.057   3.678
  103    HA   VAL  15           HA       VAL  15  -7.944   6.813   1.731
  104    HB   VAL  15           HB       VAL  15 -10.271   7.783   1.624
  105   1HG1  VAL  15          1HG1      VAL  15 -10.817   4.976   1.234
  106   2HG1  VAL  15          2HG1      VAL  15  -9.219   5.424   0.636
  107   3HG1  VAL  15          3HG1      VAL  15 -10.650   6.271   0.049
  108   1HG2  VAL  15          1HG2      VAL  15 -11.208   7.437   3.722
  109   2HG2  VAL  15          2HG2      VAL  15 -10.685   5.756   3.783
  110   3HG2  VAL  15          3HG2      VAL  15 -12.001   6.230   2.711
  111    H    ARG  16           H        ARG  16  -9.534   7.471   4.850
  112    HA   ARG  16           HA       ARG  16  -8.933  10.269   4.715
  113   1HB   ARG  16          2HB       ARG  16 -10.062   8.488   6.852
  114   2HB   ARG  16          1HB       ARG  16  -9.656  10.164   7.190
  115   1HG   ARG  16          2HG       ARG  16 -11.170  10.258   4.858
  116   2HG   ARG  16          1HG       ARG  16 -11.970   9.058   5.873
  117   1HD   ARG  16          2HD       ARG  16 -12.247  10.607   7.643
  118   2HD   ARG  16          1HD       ARG  16 -11.152  11.767   6.893
  119    HE   ARG  16           HE       ARG  16 -13.468  11.159   5.301
  120   1HH1  ARG  16          2HH1      ARG  16 -12.191  13.181   7.842
  121   2HH1  ARG  16          1HH1      ARG  16 -13.337  14.452   7.576
  122   1HH2  ARG  16          1HH2      ARG  16 -14.975  12.830   4.950
  123   2HH2  ARG  16          2HH2      ARG  16 -14.917  14.254   5.935
  124    H    ARG  17           H        ARG  17  -7.416   7.468   5.968
  125    HA   ARG  17           HA       ARG  17  -5.580   8.785   7.704
  126   1HB   ARG  17          2HB       ARG  17  -6.354   6.274   7.669
  127   2HB   ARG  17          1HB       ARG  17  -5.021   6.079   6.540
  128   1HG   ARG  17          2HG       ARG  17  -3.448   6.834   8.181
  129   2HG   ARG  17          1HG       ARG  17  -4.747   7.273   9.288
  130   1HD   ARG  17          2HD       ARG  17  -4.631   4.467   8.318
  131   2HD   ARG  17          1HD       ARG  17  -3.434   4.980   9.506
  132    HE   ARG  17           HE       ARG  17  -6.127   5.672  10.221
  133   1HH1  ARG  17          2HH1      ARG  17  -3.700   3.167  10.324
  134   2HH1  ARG  17          1HH1      ARG  17  -4.391   2.381  11.704
  135   1HH2  ARG  17          1HH2      ARG  17  -7.037   4.641  12.036
  136   2HH2  ARG  17          2HH2      ARG  17  -6.286   3.216  12.676
  137    H    LEU  18           H        LEU  18  -5.445   7.533   4.396
  138    HA   LEU  18           HA       LEU  18  -2.729   8.234   3.951
  139   1HB   LEU  18          2HB       LEU  18  -4.925   7.190   2.363
  140   2HB   LEU  18          1HB       LEU  18  -3.802   8.200   1.476
  141    HG   LEU  18           HG       LEU  18  -3.277   5.757   1.451
  142   1HD1  LEU  18          1HD1      LEU  18  -1.010   7.100   2.791
  143   2HD1  LEU  18          2HD1      LEU  18  -1.686   7.886   1.368
  144   3HD1  LEU  18          3HD1      LEU  18  -1.075   6.240   1.257
  145   1HD2  LEU  18          1HD2      LEU  18  -1.867   5.534   3.851
  146   2HD2  LEU  18          2HD2      LEU  18  -3.322   4.654   3.391
  147   3HD2  LEU  18          3HD2      LEU  18  -3.453   6.154   4.303
  148    H    GLN  19           H        GLN  19  -5.779   9.761   3.264
  149    HA   GLN  19           HA       GLN  19  -4.377  12.113   2.271
  150   1HB   GLN  19          2HB       GLN  19  -7.060  11.000   1.890
  151   2HB   GLN  19          1HB       GLN  19  -7.006  12.755   2.030
  152   1HG   GLN  19          2HG       GLN  19  -4.919  12.249   0.341
  153   2HG   GLN  19          1HG       GLN  19  -6.086  11.013  -0.127
  154   1HE2  GLN  19          1HE2      GLN  19  -5.140  14.180  -0.534
  155   2HE2  GLN  19          2HE2      GLN  19  -6.560  14.794  -1.301
  156    H    ALA  20           H        ALA  20  -4.768  11.213   5.218
  157    HA   ALA  20           HA       ALA  20  -6.321  13.146   6.546
  158   1HB   ALA  20          1HB       ALA  20  -4.923  10.993   7.359
  159   2HB   ALA  20          2HB       ALA  20  -5.498  12.250   8.453
  160   3HB   ALA  20          3HB       ALA  20  -3.833  12.280   7.873
  161    H    GLU  21           H        GLU  21  -4.612  14.456   8.308
  162    HA   GLU  21           HA       GLU  21  -3.495  16.426   6.507
  163   1HB   GLU  21          2HB       GLU  21  -3.493  17.989   8.350
  164   2HB   GLU  21          1HB       GLU  21  -5.060  17.198   8.266
  165   1HG   GLU  21          2HG       GLU  21  -4.571  15.821  10.123
  166   2HG   GLU  21          1HG       GLU  21  -2.868  16.273  10.096
  167    H    GLY  22           H        GLY  22  -2.468  13.887   8.050
  168   1HA   GLY  22          2HA       GLY  22   0.227  14.885   8.646
  169   2HA   GLY  22          1HA       GLY  22  -0.406  13.315   9.123
  170    H    ASN  23           H        ASN  23  -1.159  14.150   5.916
  171    HA   ASN  23           HA       ASN  23   0.592  12.069   4.959
  172   1HB   ASN  23          2HB       ASN  23  -0.576  12.572   2.757
  173   2HB   ASN  23          1HB       ASN  23  -1.526  11.867   4.056
  174   1HD2  ASN  23          1HD2      ASN  23  -0.644  15.224   4.267
  175   2HD2  ASN  23          2HD2      ASN  23  -2.198  15.861   3.876
  176    H    ALA  24           H        ALA  24   1.620  12.281   2.814
  177    HA   ALA  24           HA       ALA  24   2.538  14.811   1.979
  178   1HB   ALA  24          1HB       ALA  24   4.250  13.202   3.768
  179   2HB   ALA  24          2HB       ALA  24   4.164  14.950   3.560
  180   3HB   ALA  24          3HB       ALA  24   5.033  13.963   2.384
  181    H    THR  25           H        THR  25   1.213  12.753   0.743
  182    HA   THR  25           HA       THR  25   1.166  11.504  -1.123
  183    HB   THR  25           HB       THR  25   2.440  12.290  -2.997
  184    HG1  THR  25           HG1      THR  25   4.223  13.703  -2.652
  185   1HG2  THR  25          1HG2      THR  25   2.206  14.751  -1.305
  186   2HG2  THR  25          2HG2      THR  25   0.783  13.900  -1.904
  187   3HG2  THR  25          3HG2      THR  25   1.954  14.567  -3.041
  188    H    GLY  26           H        GLY  26   2.138   9.751  -2.335
  189   1HA   GLY  26          2HA       GLY  26   3.459   7.860  -2.544
  190   2HA   GLY  26          1HA       GLY  26   4.723   8.709  -1.663
  191    H    ALA  27           H        ALA  27   2.889   9.259   0.577
  192    HA   ALA  27           HA       ALA  27   3.517   7.422   2.413
  193   1HB   ALA  27          1HB       ALA  27   1.964   8.429   3.730
  194   2HB   ALA  27          2HB       ALA  27   0.719   8.347   2.486
  195   3HB   ALA  27          3HB       ALA  27   1.968   9.586   2.399
  196    H    PHE  28           H        PHE  28   3.214   5.276   2.607
  197    HA   PHE  28           HA       PHE  28   0.821   4.094   1.359
  198   1HB   PHE  28          2HB       PHE  28   2.366   2.167   0.770
  199   2HB   PHE  28          1HB       PHE  28   2.585   3.655  -0.138
  200    HD1  PHE  28           HD1      PHE  28   4.253   1.109   1.508
  201    HD2  PHE  28           HD2      PHE  28   4.381   5.310   0.945
  202    HE1  PHE  28           HE1      PHE  28   6.640   1.110   2.099
  203    HE2  PHE  28           HE2      PHE  28   6.760   5.314   1.527
  204    HZ   PHE  28           HZ       PHE  28   7.898   3.220   2.100
  205    H    LEU  29           H        LEU  29   0.296   2.005   2.184
  206    HA   LEU  29           HA       LEU  29   1.332   1.160   4.745
  207   1HB   LEU  29          2HB       LEU  29  -1.016   1.197   5.723
  208   2HB   LEU  29          1HB       LEU  29  -0.133   2.705   5.669
  209    HG   LEU  29           HG       LEU  29  -1.740   3.709   4.469
  210   1HD1  LEU  29          1HD1      LEU  29  -1.162   1.658   2.573
  211   2HD1  LEU  29          2HD1      LEU  29  -1.820   3.256   2.314
  212   3HD1  LEU  29          3HD1      LEU  29  -2.892   1.904   2.650
  213   1HD2  LEU  29          1HD2      LEU  29  -3.151   1.143   5.107
  214   2HD2  LEU  29          2HD2      LEU  29  -3.961   2.566   4.449
  215   3HD2  LEU  29          3HD2      LEU  29  -3.168   2.649   6.023
  216    H    ILE  30           H        ILE  30   0.897  -1.023   5.144
  217    HA   ILE  30           HA       ILE  30  -0.720  -2.291   3.028
  218    HB   ILE  30           HB       ILE  30   1.096  -3.996   4.610
  219   1HG1  ILE  30          2HG1      ILE  30   2.379  -1.862   3.944
  220   2HG1  ILE  30          1HG1      ILE  30   3.084  -3.411   3.518
  221   1HG2  ILE  30          1HG2      ILE  30   0.710  -5.428   2.953
  222   2HG2  ILE  30          2HG2      ILE  30   1.046  -4.223   1.716
  223   3HG2  ILE  30          3HG2      ILE  30  -0.552  -4.310   2.445
  224   1HD1  ILE  30          1HD1      ILE  30   3.167  -2.808   1.399
  225   2HD1  ILE  30          2HD1      ILE  30   2.528  -1.231   1.847
  226   3HD1  ILE  30          3HD1      ILE  30   1.427  -2.526   1.374
  227    H    ARG  31           H        ARG  31  -2.603  -2.951   3.615
  228    HA   ARG  31           HA       ARG  31  -3.057  -3.806   6.398
  229   1HB   ARG  31          2HB       ARG  31  -5.483  -3.333   5.817
  230   2HB   ARG  31          1HB       ARG  31  -4.432  -1.922   5.897
  231   1HG   ARG  31          2HG       ARG  31  -4.396  -1.661   3.596
  232   2HG   ARG  31          1HG       ARG  31  -4.924  -3.316   3.311
  233   1HD   ARG  31          2HD       ARG  31  -7.135  -2.837   3.934
  234   2HD   ARG  31          1HD       ARG  31  -6.681  -1.313   4.691
  235    HE   ARG  31           HE       ARG  31  -6.006  -0.853   2.155
  236   1HH1  ARG  31          2HH1      ARG  31  -8.913  -2.223   3.522
  237   2HH1  ARG  31          1HH1      ARG  31  -9.928  -1.663   2.236
  238   1HH2  ARG  31          1HH2      ARG  31  -7.337  -0.123   0.467
  239   2HH2  ARG  31          2HH2      ARG  31  -9.032  -0.465   0.502
  240    H    VAL  32           H        VAL  32  -5.076  -5.385   6.416
  241    HA   VAL  32           HA       VAL  32  -4.307  -7.596   4.713
  242    HB   VAL  32           HB       VAL  32  -5.927  -8.921   6.020
  243   1HG1  VAL  32          1HG1      VAL  32  -3.704  -7.407   7.227
  244   2HG1  VAL  32          2HG1      VAL  32  -3.958  -9.147   7.099
  245   3HG1  VAL  32          3HG1      VAL  32  -4.786  -8.225   8.353
  246   1HG2  VAL  32          1HG2      VAL  32  -7.559  -7.125   6.424
  247   2HG2  VAL  32          2HG2      VAL  32  -6.424  -6.360   7.536
  248   3HG2  VAL  32          3HG2      VAL  32  -7.093  -7.948   7.913
  249    H    SER  33           H        SER  33  -5.521  -8.574   3.189
  250    HA   SER  33           HA       SER  33  -7.074  -7.146   1.482
  251   1HB   SER  33          2HB       SER  33  -8.007  -9.394   0.742
  252   2HB   SER  33          1HB       SER  33  -6.249  -9.248   0.762
  253    HG   SER  33           HG       SER  33  -6.247 -10.338   2.756
  254    H    GLU  34           H        GLU  34  -8.655  -5.860   2.409
  255    HA   GLU  34           HA       GLU  34 -10.624  -6.826   4.193
  256   1HB   GLU  34          2HB       GLU  34 -10.085  -4.339   2.747
  257   2HB   GLU  34          1HB       GLU  34 -11.802  -4.666   2.942
  258   1HG   GLU  34          2HG       GLU  34  -9.732  -4.414   5.105
  259   2HG   GLU  34          1HG       GLU  34 -11.069  -3.317   4.764
  260    H    LYS  35           H        LYS  35 -10.240  -6.929   0.809
  261    HA   LYS  35           HA       LYS  35 -12.946  -8.026   0.491
  262   1HB   LYS  35          2HB       LYS  35 -11.879  -7.440  -2.066
  263   2HB   LYS  35          1HB       LYS  35 -13.233  -6.676  -1.254
  264   1HG   LYS  35          2HG       LYS  35 -10.373  -5.820  -0.870
  265   2HG   LYS  35          1HG       LYS  35 -11.453  -5.122  -2.075
  266   1HD   LYS  35          2HD       LYS  35 -12.768  -4.097  -0.485
  267   2HD   LYS  35          1HD       LYS  35 -12.310  -5.237   0.781
  268   1HE   LYS  35          2HE       LYS  35 -11.307  -3.055   1.182
  269   2HE   LYS  35          1HE       LYS  35 -10.068  -4.265   0.844
  270   1HZ   LYS  35          1HZ       LYS  35 -11.150  -2.447  -1.231
  271   2HZ   LYS  35          2HZ       LYS  35  -9.774  -3.426  -1.327
  272   3HZ   LYS  35          3HZ       LYS  35  -9.781  -2.079  -0.306
  273    HA   PRO  36           HA       PRO  36  -9.964 -10.831  -2.261
  274   1HB   PRO  36          2HB       PRO  36  -7.414 -10.215  -0.860
  275   2HB   PRO  36          1HB       PRO  36  -7.710 -10.528  -2.571
  276   1HG   PRO  36          2HG       PRO  36  -7.228  -8.063  -1.690
  277   2HG   PRO  36          1HG       PRO  36  -8.398  -8.366  -2.987
  278   1HD   PRO  36          2HD       PRO  36  -8.868  -7.719  -0.117
  279   2HD   PRO  36          1HD       PRO  36  -9.780  -7.235  -1.558
  280    H    SER  37           H        SER  37  -8.038 -12.518  -1.288
  281    HA   SER  37           HA       SER  37  -8.920 -13.316   1.391
  282   1HB   SER  37          2HB       SER  37  -9.287 -14.830  -1.139
  283   2HB   SER  37          1HB       SER  37  -8.763 -15.754   0.268
  284    HG   SER  37           HG       SER  37 -11.083 -15.567   0.004
  285    H    ALA  38           H        ALA  38  -7.251 -13.795   2.659
  286    HA   ALA  38           HA       ALA  38  -5.126 -14.209   3.368
  287   1HB   ALA  38          1HB       ALA  38  -5.803 -16.424   2.344
  288   2HB   ALA  38          2HB       ALA  38  -4.072 -16.140   2.519
  289   3HB   ALA  38          3HB       ALA  38  -4.841 -15.961   0.942
  290    H    ASP  39           H        ASP  39  -5.397 -11.875   1.866
  291    HA   ASP  39           HA       ASP  39  -2.708 -11.678   0.709
  292   1HB   ASP  39          2HB       ASP  39  -5.106 -10.319  -0.528
  293   2HB   ASP  39          1HB       ASP  39  -3.475 -10.426  -1.177
  294    H    TYR  40           H        TYR  40  -2.723  -8.996   0.040
  295    HA   TYR  40           HA       TYR  40  -3.627  -7.551   2.417
  296   1HB   TYR  40          2HB       TYR  40  -0.792  -8.105   1.755
  297   2HB   TYR  40          1HB       TYR  40  -1.142  -6.398   2.014
  298    HD1  TYR  40           HD1      TYR  40  -1.992  -9.670   3.612
  299    HD2  TYR  40           HD2      TYR  40  -0.849  -5.613   4.171
  300    HE1  TYR  40           HE1      TYR  40  -1.892 -10.042   6.041
  301    HE2  TYR  40           HE2      TYR  40  -0.741  -5.973   6.600
  302    HH   TYR  40           HH       TYR  40  -0.370  -8.036   8.146
  303    H    VAL  41           H        VAL  41  -4.126  -5.482   2.066
  304    HA   VAL  41           HA       VAL  41  -3.903  -4.635  -0.741
  305    HB   VAL  41           HB       VAL  41  -5.865  -3.037  -0.006
  306   1HG1  VAL  41          1HG1      VAL  41  -5.815  -5.854  -0.950
  307   2HG1  VAL  41          2HG1      VAL  41  -6.403  -4.399  -1.756
  308   3HG1  VAL  41          3HG1      VAL  41  -7.386  -5.181  -0.517
  309   1HG2  VAL  41          1HG2      VAL  41  -5.579  -4.602   2.323
  310   2HG2  VAL  41          2HG2      VAL  41  -7.033  -5.188   1.525
  311   3HG2  VAL  41          3HG2      VAL  41  -6.882  -3.483   1.940
  312    H    LEU  42           H        LEU  42  -2.848  -2.862  -1.203
  313    HA   LEU  42           HA       LEU  42  -1.734  -1.327   1.011
  314   1HB   LEU  42          2HB       LEU  42  -0.153  -2.383  -0.502
  315   2HB   LEU  42          1HB       LEU  42  -0.904  -1.596  -1.874
  316    HG   LEU  42           HG       LEU  42  -0.154   0.587  -1.063
  317   1HD1  LEU  42          1HD1      LEU  42   0.377  -0.967   1.344
  318   2HD1  LEU  42          2HD1      LEU  42   0.128   0.763   1.136
  319   3HD1  LEU  42          3HD1      LEU  42   1.721   0.070   0.867
  320   1HD2  LEU  42          1HD2      LEU  42   1.975   0.340  -1.850
  321   2HD2  LEU  42          2HD2      LEU  42   1.326  -1.228  -2.330
  322   3HD2  LEU  42          3HD2      LEU  42   2.295  -1.087  -0.863
  323    H    SER  43           H        SER  43  -1.643   0.975   0.853
  324    HA   SER  43           HA       SER  43  -3.320   2.167  -1.182
  325   1HB   SER  43          2HB       SER  43  -4.962   2.893   0.095
  326   2HB   SER  43          1HB       SER  43  -4.409   1.705   1.272
  327    HG   SER  43           HG       SER  43  -4.588   4.241   1.660
  328    H    VAL  44           H        VAL  44  -2.995   4.329  -1.568
  329    HA   VAL  44           HA       VAL  44  -0.785   5.593  -0.141
  330    HB   VAL  44           HB       VAL  44   0.049   4.076  -2.070
  331   1HG1  VAL  44          1HG1      VAL  44  -0.104   4.762  -4.220
  332   2HG1  VAL  44          2HG1      VAL  44  -0.189   6.470  -3.787
  333   3HG1  VAL  44          3HG1      VAL  44  -1.616   5.447  -3.623
  334   1HG2  VAL  44          1HG2      VAL  44   1.685   5.263  -0.998
  335   2HG2  VAL  44          2HG2      VAL  44   0.927   6.821  -1.328
  336   3HG2  VAL  44          3HG2      VAL  44   1.778   5.964  -2.613
  337    H    ARG  45           H        ARG  45  -0.686   7.757  -0.286
  338    HA   ARG  45           HA       ARG  45  -3.018   9.151  -1.082
  339   1HB   ARG  45          2HB       ARG  45  -0.896  11.032  -0.957
  340   2HB   ARG  45          1HB       ARG  45  -2.124  10.726   0.258
  341   1HG   ARG  45          2HG       ARG  45  -0.387   8.747   0.826
  342   2HG   ARG  45          1HG       ARG  45   0.708   9.963   0.190
  343   1HD   ARG  45          2HD       ARG  45   0.658  10.914   2.191
  344   2HD   ARG  45          1HD       ARG  45  -1.008  11.354   1.846
  345    HE   ARG  45           HE       ARG  45  -1.566   9.132   2.898
  346   1HH1  ARG  45          2HH1      ARG  45   1.359  10.798   3.814
  347   2HH1  ARG  45          1HH1      ARG  45   1.295  10.264   5.457
  348   1HH2  ARG  45          1HH2      ARG  45  -1.623   8.413   5.073
  349   2HH2  ARG  45          2HH2      ARG  45  -0.384   8.917   6.166
  350    H    ASP  46           H        ASP  46  -0.220   8.062  -2.610
  351    HA   ASP  46           HA       ASP  46   0.642   8.218  -4.709
  352   1HB   ASP  46          2HB       ASP  46  -0.868   7.922  -6.447
  353   2HB   ASP  46          1HB       ASP  46  -1.733   7.333  -5.033
  354    H    THR  47           H        THR  47  -0.371  10.978  -3.297
  355    HA   THR  47           HA       THR  47   0.826  12.988  -3.782
  356    HB   THR  47           HB       THR  47   1.471  12.122  -6.110
  357    HG1  THR  47           HG1      THR  47   1.952  14.156  -6.714
  358   1HG2  THR  47          1HG2      THR  47  -0.549  13.796  -7.360
  359   2HG2  THR  47          2HG2      THR  47  -1.211  12.322  -6.654
  360   3HG2  THR  47          3HG2      THR  47   0.083  12.224  -7.847
  361    H    GLN  48           H        GLN  48  -2.182  11.762  -4.795
  362    HA   GLN  48           HA       GLN  48  -3.613  13.872  -3.517
  363   1HB   GLN  48          2HB       GLN  48  -3.511  13.757  -6.519
  364   2HB   GLN  48          1HB       GLN  48  -4.949  14.354  -5.704
  365   1HG   GLN  48          2HG       GLN  48  -3.300  15.913  -4.462
  366   2HG   GLN  48          1HG       GLN  48  -2.202  15.520  -5.783
  367   1HE2  GLN  48          1HE2      GLN  48  -2.334  17.829  -6.208
  368   2HE2  GLN  48          2HE2      GLN  48  -3.641  18.434  -7.161
  369    H    ALA  49           H        ALA  49  -5.529  13.072  -2.788
  370    HA   ALA  49           HA       ALA  49  -7.251  11.615  -2.421
  371   1HB   ALA  49          1HB       ALA  49  -8.323  11.805  -4.403
  372   2HB   ALA  49          2HB       ALA  49  -7.745  10.154  -4.632
  373   3HB   ALA  49          3HB       ALA  49  -6.861  11.504  -5.343
  374    H    VAL  50           H        VAL  50  -7.672   9.314  -1.999
  375    HA   VAL  50           HA       VAL  50  -5.144   7.868  -1.784
  376    HB   VAL  50           HB       VAL  50  -7.812   7.287  -0.497
  377   1HG1  VAL  50          1HG1      VAL  50  -6.547   5.664   0.871
  378   2HG1  VAL  50          2HG1      VAL  50  -5.125   5.955  -0.129
  379   3HG1  VAL  50          3HG1      VAL  50  -6.567   5.229  -0.839
  380   1HG2  VAL  50          1HG2      VAL  50  -6.357   7.876   1.565
  381   2HG2  VAL  50          2HG2      VAL  50  -7.018   9.176   0.577
  382   3HG2  VAL  50          3HG2      VAL  50  -5.330   8.696   0.392
  383    H    ARG  51           H        ARG  51  -4.644   6.148  -2.894
  384    HA   ARG  51           HA       ARG  51  -6.732   4.810  -4.483
  385   1HB   ARG  51          2HB       ARG  51  -3.895   4.625  -5.341
  386   2HB   ARG  51          1HB       ARG  51  -5.355   4.680  -6.314
  387   1HG   ARG  51          2HG       ARG  51  -5.532   7.075  -5.948
  388   2HG   ARG  51          1HG       ARG  51  -4.105   7.029  -4.912
  389   1HD   ARG  51          2HD       ARG  51  -3.765   7.776  -7.324
  390   2HD   ARG  51          1HD       ARG  51  -2.679   6.532  -6.705
  391    HE   ARG  51           HE       ARG  51  -3.570   5.048  -8.210
  392   1HH1  ARG  51          2HH1      ARG  51  -5.625   7.862  -8.032
  393   2HH1  ARG  51          1HH1      ARG  51  -6.602   7.388  -9.380
  394   1HH2  ARG  51          1HH2      ARG  51  -4.857   4.422  -9.982
  395   2HH2  ARG  51          2HH2      ARG  51  -6.166   5.437 -10.488
  396    H    HIS  52           H        HIS  52  -7.084   2.795  -3.783
  397    HA   HIS  52           HA       HIS  52  -5.150   1.572  -2.006
  398   1HB   HIS  52          2HB       HIS  52  -7.847   0.556  -2.982
  399   2HB   HIS  52          1HB       HIS  52  -6.882  -0.161  -1.691
  400    HD1  HIS  52           HD1      HIS  52  -6.242   1.798   0.206
  401    HD2  HIS  52           HD2      HIS  52  -9.756   2.179  -1.951
  402    HE1  HIS  52           HE1      HIS  52  -7.577   3.510   1.436
  403    HE2  HIS  52           HE2      HIS  52  -9.821   3.506   0.268
  404    H    TYR  53           H        TYR  53  -4.814  -0.897  -2.350
  405    HA   TYR  53           HA       TYR  53  -4.626  -1.697  -5.130
  406   1HB   TYR  53          2HB       TYR  53  -2.101  -1.555  -3.496
  407   2HB   TYR  53          1HB       TYR  53  -2.260  -1.875  -5.219
  408    HD1  TYR  53           HD1      TYR  53  -2.917  -0.019  -6.740
  409    HD2  TYR  53           HD2      TYR  53  -1.936   0.681  -2.660
  410    HE1  TYR  53           HE1      TYR  53  -2.547   2.353  -7.250
  411    HE2  TYR  53           HE2      TYR  53  -1.565   3.062  -3.161
  412    HH   TYR  53           HH       TYR  53  -0.970   4.280  -5.956
  413    H    LYS  54           H        LYS  54  -4.843  -3.844  -5.317
  414    HA   LYS  54           HA       LYS  54  -4.962  -5.465  -2.919
  415   1HB   LYS  54          2HB       LYS  54  -6.594  -5.568  -4.916
  416   2HB   LYS  54          1HB       LYS  54  -5.320  -6.457  -5.741
  417   1HG   LYS  54          2HG       LYS  54  -6.072  -7.407  -3.049
  418   2HG   LYS  54          1HG       LYS  54  -7.253  -7.638  -4.340
  419   1HD   LYS  54          2HD       LYS  54  -4.468  -8.363  -4.991
  420   2HD   LYS  54          1HD       LYS  54  -5.270  -9.379  -3.791
  421   1HE   LYS  54          2HE       LYS  54  -6.761  -8.707  -6.271
  422   2HE   LYS  54          1HE       LYS  54  -5.440  -9.868  -6.393
  423   1HZ   LYS  54          1HZ       LYS  54  -6.500 -11.183  -4.652
  424   2HZ   LYS  54          2HZ       LYS  54  -7.529 -10.984  -5.980
  425   3HZ   LYS  54          3HZ       LYS  54  -7.780 -10.078  -4.574
  426    H    ILE  55           H        ILE  55  -3.182  -6.397  -2.141
  427    HA   ILE  55           HA       ILE  55  -0.973  -7.018  -3.981
  428    HB   ILE  55           HB       ILE  55  -0.672  -7.251  -1.031
  429   1HG1  ILE  55          2HG1      ILE  55  -0.266  -4.550  -2.260
  430   2HG1  ILE  55          1HG1      ILE  55  -1.872  -5.002  -1.702
  431   1HG2  ILE  55          1HG2      ILE  55   1.398  -5.823  -2.405
  432   2HG2  ILE  55          2HG2      ILE  55   1.022  -7.327  -3.246
  433   3HG2  ILE  55          3HG2      ILE  55   1.476  -7.358  -1.543
  434   1HD1  ILE  55          1HD1      ILE  55   0.458  -4.194  -0.197
  435   2HD1  ILE  55          2HD1      ILE  55  -0.246  -5.694   0.404
  436   3HD1  ILE  55          3HD1      ILE  55  -1.239  -4.243   0.277
  437    H    TRP  56           H        TRP  56  -1.456  -8.981  -4.810
  438    HA   TRP  56           HA       TRP  56  -2.567 -11.073  -3.161
  439   1HB   TRP  56          2HB       TRP  56  -3.312 -10.721  -5.480
  440   2HB   TRP  56          1HB       TRP  56  -1.698 -11.102  -6.058
  441    HD1  TRP  56           HD1      TRP  56  -3.449 -13.167  -3.344
  442    HE1  TRP  56           HE1      TRP  56  -3.859 -15.539  -4.259
  443    HE3  TRP  56           HE3      TRP  56  -1.964 -12.430  -8.172
  444    HZ2  TRP  56           HZ2      TRP  56  -3.586 -16.914  -6.714
  445    HZ3  TRP  56           HZ3      TRP  56  -2.069 -14.319  -9.743
  446    HH2  TRP  56           HH2      TRP  56  -2.864 -16.515  -9.028
  447    H    ARG  57           H        ARG  57  -1.638 -13.059  -2.698
  448    HA   ARG  57           HA       ARG  57   1.277 -13.027  -2.536
  449   1HB   ARG  57          2HB       ARG  57  -0.119 -13.479  -0.506
  450   2HB   ARG  57          1HB       ARG  57  -0.689 -14.952  -1.277
  451   1HG   ARG  57          2HG       ARG  57   1.877 -15.473  -1.455
  452   2HG   ARG  57          1HG       ARG  57   1.977 -14.322  -0.121
  453   1HD   ARG  57          2HD       ARG  57  -0.044 -15.820   0.769
  454   2HD   ARG  57          1HD       ARG  57   0.772 -17.029  -0.222
  455    HE   ARG  57           HE       ARG  57   2.748 -15.882   1.300
  456   1HH1  ARG  57          2HH1      ARG  57  -0.238 -17.572   1.939
  457   2HH1  ARG  57          1HH1      ARG  57   0.313 -18.234   3.441
  458   1HH2  ARG  57          1HH2      ARG  57   3.475 -16.753   3.274
  459   2HH2  ARG  57          2HH2      ARG  57   2.419 -17.768   4.200
  460    H    ARG  58           H        ARG  58   2.533 -14.857  -3.180
  461    HA   ARG  58           HA       ARG  58   1.426 -16.189  -5.521
  462   1HB   ARG  58          2HB       ARG  58   4.119 -15.500  -4.541
  463   2HB   ARG  58          1HB       ARG  58   4.007 -17.017  -5.419
  464   1HG   ARG  58          2HG       ARG  58   2.560 -15.159  -6.928
  465   2HG   ARG  58          1HG       ARG  58   4.029 -14.327  -6.417
  466   1HD   ARG  58          2HD       ARG  58   4.763 -15.325  -8.347
  467   2HD   ARG  58          1HD       ARG  58   5.175 -16.568  -7.166
  468    HE   ARG  58           HE       ARG  58   3.627 -17.948  -8.134
  469   1HH1  ARG  58          2HH1      ARG  58   3.045 -14.677  -9.205
  470   2HH1  ARG  58          1HH1      ARG  58   1.852 -15.139 -10.371
  471   1HH2  ARG  58          1HH2      ARG  58   2.056 -18.556  -9.667
  472   2HH2  ARG  58          2HH2      ARG  58   1.289 -17.340 -10.633
  473    H    ALA  59           H        ALA  59   0.746 -16.978  -2.698
  474    HA   ALA  59           HA       ALA  59   0.434 -18.868  -1.468
  475   1HB   ALA  59          1HB       ALA  59  -0.452 -19.474  -3.824
  476   2HB   ALA  59          2HB       ALA  59  -0.211 -20.759  -2.640
  477   3HB   ALA  59          3HB       ALA  59   0.980 -20.499  -3.915
  478    H    GLY  60           H        GLY  60   2.591 -18.236  -0.516
  479   1HA   GLY  60          2HA       GLY  60   4.106 -20.205   0.367
  480   2HA   GLY  60          1HA       GLY  60   4.780 -20.030  -1.247
  481    H    GLY  61           H        GLY  61   4.415 -17.135  -1.309
  482   1HA   GLY  61          2HA       GLY  61   5.311 -15.498   0.537
  483   2HA   GLY  61          1HA       GLY  61   6.767 -16.451   0.299
  484    H    ARG  62           H        ARG  62   4.510 -14.229  -1.229
  485    HA   ARG  62           HA       ARG  62   6.414 -12.730  -2.546
  486   1HB   ARG  62          2HB       ARG  62   6.004 -15.217  -3.864
  487   2HB   ARG  62          1HB       ARG  62   5.302 -13.960  -4.873
  488   1HG   ARG  62          2HG       ARG  62   7.435 -12.743  -4.812
  489   2HG   ARG  62          1HG       ARG  62   8.132 -14.044  -3.846
  490   1HD   ARG  62          2HD       ARG  62   8.502 -15.294  -5.649
  491   2HD   ARG  62          1HD       ARG  62   6.852 -15.068  -6.226
  492    HE   ARG  62           HE       ARG  62   8.019 -12.725  -6.856
  493   1HH1  ARG  62          2HH1      ARG  62   8.953 -16.041  -7.423
  494   2HH1  ARG  62          1HH1      ARG  62   9.794 -15.683  -8.893
  495   1HH2  ARG  62          1HH2      ARG  62   9.124 -12.254  -8.790
  496   2HH2  ARG  62          2HH2      ARG  62   9.893 -13.534  -9.668
  497    H    LEU  63           H        LEU  63   5.349 -10.898  -2.546
  498    HA   LEU  63           HA       LEU  63   2.480 -10.860  -3.036
  499   1HB   LEU  63          2HB       LEU  63   4.428  -8.913  -1.862
  500   2HB   LEU  63          1HB       LEU  63   2.881  -8.347  -2.461
  501    HG   LEU  63           HG       LEU  63   2.682  -8.696  -0.105
  502   1HD1  LEU  63          1HD1      LEU  63   1.352 -11.171  -1.010
  503   2HD1  LEU  63          2HD1      LEU  63   0.964  -9.700  -1.900
  504   3HD1  LEU  63          3HD1      LEU  63   0.696  -9.772  -0.159
  505   1HD2  LEU  63          1HD2      LEU  63   3.867 -10.232   0.972
  506   2HD2  LEU  63          2HD2      LEU  63   4.480 -10.825  -0.571
  507   3HD2  LEU  63          3HD2      LEU  63   3.016 -11.521   0.122
  508    H    HIS  64           H        HIS  64   1.519  -9.668  -4.644
  509    HA   HIS  64           HA       HIS  64   3.105  -8.120  -6.462
  510   1HB   HIS  64          2HB       HIS  64   2.317  -9.476  -8.463
  511   2HB   HIS  64          1HB       HIS  64   3.598 -10.183  -7.495
  512    HD1  HIS  64           HD1      HIS  64   2.801 -12.450  -8.640
  513    HD2  HIS  64           HD2      HIS  64   0.132 -10.741  -5.956
  514    HE1  HIS  64           HE1      HIS  64   1.171 -14.272  -8.061
  515    HE2  HIS  64           HE2      HIS  64  -0.319 -13.258  -6.305
  516    H    LEU  65           H        LEU  65   1.844  -6.377  -6.271
  517    HA   LEU  65           HA       LEU  65  -0.956  -6.458  -6.042
  518   1HB   LEU  65          2HB       LEU  65   0.875  -4.215  -6.884
  519   2HB   LEU  65          1HB       LEU  65  -0.835  -4.013  -6.551
  520    HG   LEU  65           HG       LEU  65  -0.223  -5.057  -4.228
  521   1HD1  LEU  65          1HD1      LEU  65   1.968  -5.671  -4.309
  522   2HD1  LEU  65          2HD1      LEU  65   2.151  -4.024  -3.706
  523   3HD1  LEU  65          3HD1      LEU  65   2.410  -4.371  -5.416
  524   1HD2  LEU  65          1HD2      LEU  65  -0.367  -2.395  -5.255
  525   2HD2  LEU  65          2HD2      LEU  65   0.840  -2.456  -3.972
  526   3HD2  LEU  65          3HD2      LEU  65  -0.808  -2.995  -3.657
  527    H    ASN  66           H        ASN  66   1.145  -6.762  -8.672
  528    HA   ASN  66           HA       ASN  66  -1.077  -6.980 -10.522
  529   1HB   ASN  66          2HB       ASN  66   0.866  -4.793 -10.579
  530   2HB   ASN  66          1HB       ASN  66   0.764  -5.668 -12.103
  531   1HD2  ASN  66          1HD2      ASN  66  -0.764  -5.085 -13.462
  532   2HD2  ASN  66          2HD2      ASN  66  -2.171  -4.161 -13.072
  533    H    GLU  67           H        GLU  67  -0.065  -7.661 -12.783
  534    HA   GLU  67           HA       GLU  67   1.434 -10.053 -12.220
  535   1HB   GLU  67          2HB       GLU  67   0.045  -8.912 -14.597
  536   2HB   GLU  67          1HB       GLU  67   1.266 -10.149 -14.862
  537   1HG   GLU  67          2HG       GLU  67  -0.031 -11.498 -13.094
  538   2HG   GLU  67          1HG       GLU  67  -1.335 -10.354 -13.403
  539    H    ALA  68           H        ALA  68   2.754  -7.334 -11.982
  540    HA   ALA  68           HA       ALA  68   5.172  -8.085 -13.408
  541   1HB   ALA  68          1HB       ALA  68   4.589  -6.667 -15.072
  542   2HB   ALA  68          2HB       ALA  68   5.297  -5.482 -13.976
  543   3HB   ALA  68          3HB       ALA  68   3.546  -5.695 -14.033
  544    H    VAL  69           H        VAL  69   3.942  -7.486 -10.539
  545    HA   VAL  69           HA       VAL  69   6.398  -6.164  -9.604
  546    HB   VAL  69           HB       VAL  69   5.176  -4.832  -7.980
  547   1HG1  VAL  69          1HG1      VAL  69   3.652  -4.106 -10.384
  548   2HG1  VAL  69          2HG1      VAL  69   5.388  -4.302 -10.628
  549   3HG1  VAL  69          3HG1      VAL  69   4.790  -3.156  -9.429
  550   1HG2  VAL  69          1HG2      VAL  69   2.515  -5.135  -9.095
  551   2HG2  VAL  69          2HG2      VAL  69   3.046  -5.172  -7.413
  552   3HG2  VAL  69          3HG2      VAL  69   3.112  -6.638  -8.391
  553    H    SER  70           H        SER  70   6.394  -8.784  -9.486
  554    HA   SER  70           HA       SER  70   5.213  -9.741  -7.022
  555   1HB   SER  70          2HB       SER  70   7.178 -11.357  -8.590
  556   2HB   SER  70          1HB       SER  70   5.723 -11.877  -7.739
  557    HG   SER  70           HG       SER  70   5.751 -11.724 -10.184
  558    H    PHE  71           H        PHE  71   6.183 -10.036  -5.120
  559    HA   PHE  71           HA       PHE  71   9.065 -10.133  -4.870
  560   1HB   PHE  71          2HB       PHE  71   7.510  -7.709  -4.240
  561   2HB   PHE  71          1HB       PHE  71   8.658  -8.215  -3.004
  562    HD1  PHE  71           HD1      PHE  71  11.064  -8.423  -3.576
  563    HD2  PHE  71           HD2      PHE  71   8.234  -6.735  -6.268
  564    HE1  PHE  71           HE1      PHE  71  12.900  -7.406  -4.861
  565    HE2  PHE  71           HE2      PHE  71  10.064  -5.716  -7.559
  566    HZ   PHE  71           HZ       PHE  71  12.400  -6.051  -6.856
  567    H    LEU  72           H        LEU  72   9.542 -11.550  -3.441
  568    HA   LEU  72           HA       LEU  72   8.261 -13.314  -2.063
  569   1HB   LEU  72          2HB       LEU  72   9.938 -12.985  -0.134
  570   2HB   LEU  72          1HB       LEU  72  10.540 -13.339  -1.744
  571    HG   LEU  72           HG       LEU  72  10.676 -10.717  -1.944
  572   1HD1  LEU  72          1HD1      LEU  72  10.003 -11.130   0.834
  573   2HD1  LEU  72          2HD1      LEU  72  10.129  -9.630  -0.083
  574   3HD1  LEU  72          3HD1      LEU  72  11.562 -10.321   0.674
  575   1HD2  LEU  72          1HD2      LEU  72  12.553 -12.656  -0.672
  576   2HD2  LEU  72          2HD2      LEU  72  12.981 -10.945  -0.709
  577   3HD2  LEU  72          3HD2      LEU  72  12.674 -11.811  -2.215
  578    H    SER  73           H        SER  73   8.415  -9.984  -0.808
  579    HA   SER  73           HA       SER  73   6.058 -10.530   0.791
  580   1HB   SER  73          2HB       SER  73   8.250 -10.990   2.127
  581   2HB   SER  73          1HB       SER  73   8.361  -9.231   2.200
  582    HG   SER  73           HG       SER  73   7.096  -9.497   3.866
  583    H    LEU  74           H        LEU  74   5.490  -8.419   2.083
  584    HA   LEU  74           HA       LEU  74   4.886  -6.448   0.212
  585   1HB   LEU  74          2HB       LEU  74   4.464  -6.863   3.017
  586   2HB   LEU  74          1HB       LEU  74   4.916  -5.194   2.733
  587    HG   LEU  74           HG       LEU  74   2.634  -5.087   2.574
  588   1HD1  LEU  74          1HD1      LEU  74   3.998  -4.600   0.314
  589   2HD1  LEU  74          2HD1      LEU  74   2.269  -4.317   0.480
  590   3HD1  LEU  74          3HD1      LEU  74   2.848  -5.796  -0.279
  591   1HD2  LEU  74          1HD2      LEU  74   1.511  -6.968   1.011
  592   2HD2  LEU  74          2HD2      LEU  74   1.690  -7.128   2.758
  593   3HD2  LEU  74          3HD2      LEU  74   2.863  -7.882   1.678
  594    HA   PRO  75           HA       PRO  75   8.373  -3.721   2.621
  595   1HB   PRO  75          2HB       PRO  75  10.385  -5.762   2.991
  596   2HB   PRO  75          1HB       PRO  75   9.661  -4.698   4.197
  597   1HG   PRO  75          2HG       PRO  75   8.999  -7.482   3.521
  598   2HG   PRO  75          1HG       PRO  75   8.652  -6.570   5.000
  599   1HD   PRO  75          2HD       PRO  75   6.722  -7.254   3.248
  600   2HD   PRO  75          1HD       PRO  75   6.664  -5.733   4.162
  601    H    GLU  76           H        GLU  76   9.222  -6.637   0.753
  602    HA   GLU  76           HA       GLU  76  11.141  -5.183  -0.836
  603   1HB   GLU  76          2HB       GLU  76  10.014  -7.960  -1.245
  604   2HB   GLU  76          1HB       GLU  76  11.425  -7.284  -2.046
  605   1HG   GLU  76          2HG       GLU  76  11.118  -7.983   0.857
  606   2HG   GLU  76          1HG       GLU  76  12.195  -8.720  -0.328
  607    H    LEU  77           H        LEU  77   7.879  -6.449  -1.200
  608    HA   LEU  77           HA       LEU  77   7.497  -5.920  -3.920
  609   1HB   LEU  77          2HB       LEU  77   5.819  -7.215  -3.019
  610   2HB   LEU  77          1HB       LEU  77   5.723  -6.265  -1.553
  611    HG   LEU  77           HG       LEU  77   3.722  -6.223  -3.146
  612   1HD1  LEU  77          1HD1      LEU  77   4.215  -3.422  -2.828
  613   2HD1  LEU  77          2HD1      LEU  77   4.811  -4.297  -1.419
  614   3HD1  LEU  77          3HD1      LEU  77   3.131  -4.478  -1.923
  615   1HD2  LEU  77          1HD2      LEU  77   4.008  -5.551  -5.236
  616   2HD2  LEU  77          2HD2      LEU  77   5.726  -5.303  -4.933
  617   3HD2  LEU  77          3HD2      LEU  77   4.585  -3.986  -4.663
  618    H    VAL  78           H        VAL  78   6.893  -3.881  -1.080
  619    HA   VAL  78           HA       VAL  78   5.953  -1.651  -2.553
  620    HB   VAL  78           HB       VAL  78   7.145  -1.791   0.222
  621   1HG1  VAL  78          1HG1      VAL  78   5.388   0.427  -0.144
  622   2HG1  VAL  78          2HG1      VAL  78   6.651   0.489  -1.370
  623   3HG1  VAL  78          3HG1      VAL  78   7.085   0.422   0.334
  624   1HG2  VAL  78          1HG2      VAL  78   4.539  -1.276   0.598
  625   2HG2  VAL  78          2HG2      VAL  78   5.200  -2.909   0.532
  626   3HG2  VAL  78          3HG2      VAL  78   4.442  -2.207  -0.897
  627    H    ASN  79           H        ASN  79   9.119  -2.773  -1.563
  628    HA   ASN  79           HA       ASN  79  10.657  -0.497  -1.887
  629   1HB   ASN  79          2HB       ASN  79  11.427  -2.784  -1.106
  630   2HB   ASN  79          1HB       ASN  79  11.511  -3.248  -2.803
  631   1HD2  ASN  79          1HD2      ASN  79  13.301  -2.807  -3.897
  632   2HD2  ASN  79          2HD2      ASN  79  14.595  -1.810  -3.340
  633    H    TYR  80           H        TYR  80   9.717  -2.881  -4.348
  634    HA   TYR  80           HA       TYR  80  10.948  -1.518  -6.511
  635   1HB   TYR  80          2HB       TYR  80  10.423  -3.886  -6.676
  636   2HB   TYR  80          1HB       TYR  80   8.707  -3.554  -6.470
  637    HD1  TYR  80           HD1      TYR  80  11.503  -2.460  -8.706
  638    HD2  TYR  80           HD2      TYR  80   7.423  -3.623  -8.381
  639    HE1  TYR  80           HE1      TYR  80  11.259  -2.264 -11.145
  640    HE2  TYR  80           HE2      TYR  80   7.170  -3.431 -10.820
  641    HH   TYR  80           HH       TYR  80   8.971  -3.602 -12.879
  642    H    HIS  81           H        HIS  81   7.791  -1.397  -5.001
  643    HA   HIS  81           HA       HIS  81   6.437   0.110  -6.951
  644   1HB   HIS  81          2HB       HIS  81   6.042  -0.528  -4.088
  645   2HB   HIS  81          1HB       HIS  81   5.268   0.948  -4.647
  646    HD1  HIS  81           HD1      HIS  81   4.823  -0.589  -7.564
  647    HD2  HIS  81           HD2      HIS  81   3.397  -1.582  -3.790
  648    HE1  HIS  81           HE1      HIS  81   2.809  -2.028  -7.973
  649    HE2  HIS  81           HE2      HIS  81   1.876  -2.477  -5.683
  650    H    ARG  82           H        ARG  82   8.626   0.976  -4.360
  651    HA   ARG  82           HA       ARG  82   8.131   3.758  -4.492
  652   1HB   ARG  82          2HB       ARG  82   9.026   2.903  -2.451
  653   2HB   ARG  82          1HB       ARG  82  10.370   2.148  -3.295
  654   1HG   ARG  82          2HG       ARG  82  10.733   4.770  -3.943
  655   2HG   ARG  82          1HG       ARG  82  10.060   4.892  -2.319
  656   1HD   ARG  82          2HD       ARG  82  12.346   3.063  -3.003
  657   2HD   ARG  82          1HD       ARG  82  12.581   4.733  -2.487
  658    HE   ARG  82           HE       ARG  82  11.971   2.510  -0.827
  659   1HH1  ARG  82          2HH1      ARG  82  11.391   5.930  -1.197
  660   2HH1  ARG  82          1HH1      ARG  82  11.121   6.195   0.493
  661   1HH2  ARG  82          1HH2      ARG  82  11.618   2.855   1.397
  662   2HH2  ARG  82          2HH2      ARG  82  11.251   4.450   1.967
  663    H    ALA  83           H        ALA  83  10.233   1.614  -6.139
  664    HA   ALA  83           HA       ALA  83  11.828   3.704  -7.300
  665   1HB   ALA  83          1HB       ALA  83  11.535   0.793  -8.053
  666   2HB   ALA  83          2HB       ALA  83  12.793   1.491  -7.032
  667   3HB   ALA  83          3HB       ALA  83  12.716   1.906  -8.744
  668    H    GLN  84           H        GLN  84   9.712   1.290  -8.759
  669    HA   GLN  84           HA       GLN  84   8.980   3.202 -10.850
  670   1HB   GLN  84          2HB       GLN  84   8.399   0.241 -10.802
  671   2HB   GLN  84          1HB       GLN  84   8.295   1.329 -12.180
  672   1HG   GLN  84          2HG       GLN  84  10.921   1.100 -10.839
  673   2HG   GLN  84          1HG       GLN  84  10.361  -0.288 -11.770
  674   1HE2  GLN  84          1HE2      GLN  84  12.625   1.207 -12.421
  675   2HE2  GLN  84          2HE2      GLN  84  12.344   2.006 -13.928
  676    H    SER  85           H        SER  85   6.899   3.815 -11.269
  677    HA   SER  85           HA       SER  85   4.926   3.178  -9.190
  678   1HB   SER  85          2HB       SER  85   3.910   5.056 -11.091
  679   2HB   SER  85          1HB       SER  85   4.317   5.320  -9.397
  680    HG   SER  85           HG       SER  85   6.530   5.604 -10.152
  681    H    LEU  86           H        LEU  86   5.845   1.656 -11.780
  682    HA   LEU  86           HA       LEU  86   4.136   1.377 -13.774
  683   1HB   LEU  86          2HB       LEU  86   5.945  -0.144 -13.548
  684   2HB   LEU  86          1HB       LEU  86   5.286  -0.817 -12.070
  685    HG   LEU  86           HG       LEU  86   3.334  -1.231 -14.075
  686   1HD1  LEU  86          1HD1      LEU  86   4.642  -1.119 -15.929
  687   2HD1  LEU  86          2HD1      LEU  86   4.964  -2.790 -15.465
  688   3HD1  LEU  86          3HD1      LEU  86   6.118  -1.522 -15.051
  689   1HD2  LEU  86          1HD2      LEU  86   3.485  -3.439 -13.411
  690   2HD2  LEU  86          2HD2      LEU  86   4.121  -2.589 -12.004
  691   3HD2  LEU  86          3HD2      LEU  86   5.227  -3.350 -13.147
  692    H    SER  87           H        SER  87   3.517  -0.779 -11.025
  693    HA   SER  87           HA       SER  87   0.655  -0.600 -11.637
  694   1HB   SER  87          2HB       SER  87   1.424  -2.862 -11.666
  695   2HB   SER  87          1HB       SER  87   2.280  -2.658 -10.137
  696    HG   SER  87           HG       SER  87   0.360  -2.613  -9.064
  697    H    HIS  88           H        HIS  88   1.715   1.587 -10.326
  698    HA   HIS  88           HA       HIS  88   0.089   1.604  -7.973
  699   1HB   HIS  88          2HB       HIS  88   2.385   0.553  -7.354
  700   2HB   HIS  88          1HB       HIS  88   2.982   2.206  -7.451
  701    HD1  HIS  88           HD1      HIS  88   1.225  -0.125  -5.263
  702    HD2  HIS  88           HD2      HIS  88   1.719   3.984  -5.550
  703    HE1  HIS  88           HE1      HIS  88   0.485   0.799  -3.048
  704    HE2  HIS  88           HE2      HIS  88   0.947   3.265  -3.201
  705    H    GLY  89           H        GLY  89  -0.793   3.529  -7.796
  706   1HA   GLY  89          2HA       GLY  89  -0.690   5.589  -9.495
  707   2HA   GLY  89          1HA       GLY  89  -1.022   5.832  -7.791
  708    H    LEU  90           H        LEU  90   1.344   5.539  -6.567
  709    HA   LEU  90           HA       LEU  90   3.251   7.268  -7.967
  710   1HB   LEU  90          2HB       LEU  90   1.623   8.524  -6.406
  711   2HB   LEU  90          1HB       LEU  90   2.523   7.780  -5.100
  712    HG   LEU  90           HG       LEU  90   4.589   8.858  -5.989
  713   1HD1  LEU  90          1HD1      LEU  90   3.803  10.959  -7.462
  714   2HD1  LEU  90          2HD1      LEU  90   2.663   9.742  -8.036
  715   3HD1  LEU  90          3HD1      LEU  90   4.398   9.451  -8.157
  716   1HD2  LEU  90          1HD2      LEU  90   4.165  10.385  -4.446
  717   2HD2  LEU  90          2HD2      LEU  90   2.447   9.998  -4.537
  718   3HD2  LEU  90          3HD2      LEU  90   3.124  11.255  -5.571
  719    H    ARG  91           H        ARG  91   5.364   7.355  -6.866
  720    HA   ARG  91           HA       ARG  91   6.223   4.736  -6.175
  721   1HB   ARG  91          2HB       ARG  91   7.591   7.416  -6.238
  722   2HB   ARG  91          1HB       ARG  91   8.421   5.960  -5.723
  723   1HG   ARG  91          2HG       ARG  91   8.132   4.953  -7.871
  724   2HG   ARG  91          1HG       ARG  91   7.086   6.273  -8.396
  725   1HD   ARG  91          2HD       ARG  91   9.199   7.726  -7.761
  726   2HD   ARG  91          1HD       ARG  91  10.041   6.205  -8.053
  727    HE   ARG  91           HE       ARG  91   9.612   6.428 -10.299
  728   1HH1  ARG  91          2HH1      ARG  91   7.685   8.737  -8.527
  729   2HH1  ARG  91          1HH1      ARG  91   7.184   9.594  -9.945
  730   1HH2  ARG  91          1HH2      ARG  91   8.955   7.556 -12.164
  731   2HH2  ARG  91          2HH2      ARG  91   7.905   8.925 -12.010
  732    H    LEU  92           H        LEU  92   5.744   3.854  -4.271
  733    HA   LEU  92           HA       LEU  92   4.939   4.989  -1.927
  734   1HB   LEU  92          2HB       LEU  92   6.359   2.480  -2.608
  735   2HB   LEU  92          1HB       LEU  92   6.303   2.925  -0.916
  736    HG   LEU  92           HG       LEU  92   4.192   2.234  -0.708
  737   1HD1  LEU  92          1HD1      LEU  92   3.422   3.421  -3.356
  738   2HD1  LEU  92          2HD1      LEU  92   3.361   4.275  -1.815
  739   3HD1  LEU  92          3HD1      LEU  92   2.342   2.866  -2.079
  740   1HD2  LEU  92          1HD2      LEU  92   3.923   0.321  -1.758
  741   2HD2  LEU  92          2HD2      LEU  92   5.356   0.745  -2.690
  742   3HD2  LEU  92          3HD2      LEU  92   3.754   1.117  -3.323
  743    H    ALA  93           H        ALA  93   5.936   6.868  -1.285
  744    HA   ALA  93           HA       ALA  93   8.823   6.907  -0.903
  745   1HB   ALA  93          1HB       ALA  93   7.717   9.342  -0.038
  746   2HB   ALA  93          2HB       ALA  93   6.816   8.856  -1.475
  747   3HB   ALA  93          3HB       ALA  93   8.571   9.007  -1.544
  748    H    ALA  94           H        ALA  94   6.406   8.465   1.185
  749    HA   ALA  94           HA       ALA  94   7.893   7.474   3.508
  750   1HB   ALA  94          1HB       ALA  94   6.651   9.952   2.856
  751   2HB   ALA  94          2HB       ALA  94   7.635   9.543   4.261
  752   3HB   ALA  94          3HB       ALA  94   5.889   9.302   4.309
  753    HA   PRO  95           HA       PRO  95   4.535   5.005   5.011
  754   1HB   PRO  95          2HB       PRO  95   4.524   5.380   7.653
  755   2HB   PRO  95          1HB       PRO  95   5.928   4.681   6.841
  756   1HG   PRO  95          2HG       PRO  95   5.506   7.470   7.825
  757   2HG   PRO  95          1HG       PRO  95   6.962   6.461   7.904
  758   1HD   PRO  95          2HD       PRO  95   6.499   8.432   6.013
  759   2HD   PRO  95          1HD       PRO  95   7.638   7.087   5.818
  760    H    CYS  96           H        CYS  96   2.429   4.888   6.051
  761    HA   CYS  96           HA       CYS  96   0.857   7.256   5.574
  762   1HB   CYS  96          2HB       CYS  96  -0.114   5.163   4.913
  763   2HB   CYS  96          1HB       CYS  96   0.150   4.469   6.508
  764    HG   CYS  96           HG       CYS  96  -2.375   5.206   6.138
  765    H    ARG  97           H        ARG  97   1.307   8.792   7.110
  766    HA   ARG  97           HA       ARG  97   1.708   8.339   9.840
  767   1HB   ARG  97          2HB       ARG  97   0.861  10.736   8.248
  768   2HB   ARG  97          1HB       ARG  97   0.896  10.807  10.005
  769   1HG   ARG  97          2HG       ARG  97   3.319   9.902   9.722
  770   2HG   ARG  97          1HG       ARG  97   3.151  10.517   8.076
  771   1HD   ARG  97          2HD       ARG  97   3.072  12.698   8.752
  772   2HD   ARG  97          1HD       ARG  97   2.359  12.301  10.315
  773    HE   ARG  97           HE       ARG  97   4.843  11.267  10.508
  774   1HH1  ARG  97          2HH1      ARG  97   3.655  14.415   9.578
  775   2HH1  ARG  97          1HH1      ARG  97   5.060  15.250  10.150
  776   1HH2  ARG  97          1HH2      ARG  97   6.689  12.365  11.261
  777   2HH2  ARG  97          2HH2      ARG  97   6.784  14.088  11.103
  778    H    LYS  98           H        LYS  98   0.383   8.194  11.582
  779    HA   LYS  98           HA       LYS  98  -2.477   7.888  11.017
  780   1HB   LYS  98          2HB       LYS  98  -1.175   6.038  12.136
  781   2HB   LYS  98          1HB       LYS  98  -0.996   7.100  13.527
  782   1HG   LYS  98          2HG       LYS  98  -3.475   7.217  13.679
  783   2HG   LYS  98          1HG       LYS  98  -3.561   6.012  12.393
  784   1HD   LYS  98          2HD       LYS  98  -3.510   4.485  14.025
  785   2HD   LYS  98          1HD       LYS  98  -1.799   4.886  14.186
  786   1HE   LYS  98          2HE       LYS  98  -3.797   6.566  15.615
  787   2HE   LYS  98          1HE       LYS  98  -3.440   4.963  16.253
  788   1HZ   LYS  98          1HZ       LYS  98  -1.380   5.571  16.880
  789   2HZ   LYS  98          2HZ       LYS  98  -2.046   7.126  16.888
  790   3HZ   LYS  98          3HZ       LYS  98  -1.143   6.601  15.557
  791    H    HIS  99           H        HIS  99  -4.044   8.740  12.531
  792    HA   HIS  99           HA       HIS  99  -3.200  10.804  14.370
  793   1HB   HIS  99          2HB       HIS  99  -4.147  11.432  11.678
  794   2HB   HIS  99          1HB       HIS  99  -5.100  12.215  12.934
  795    HD1  HIS  99           HD1      HIS  99  -3.054  13.055  14.945
  796    HD2  HIS  99           HD2      HIS  99  -2.385  13.303  10.852
  797    HE1  HIS  99           HE1      HIS  99  -1.256  14.789  14.662
  798    HE2  HIS  99           HE2      HIS  99  -0.931  14.986  12.172
  799    H    GLU 100           HN       GLU 100  -5.999   9.501  12.598
  800    HA   GLU 100           HA       GLU 100  -7.893  10.100  14.606
  801   1HB   GLU 100          2HB       GLU 100  -8.000   9.156  12.021
  802   2HB   GLU 100          1HB       GLU 100  -8.513   7.759  12.957
  803   1HG   GLU 100          2HG       GLU 100 -10.530   8.625  13.177
  804   2HG   GLU 100          1HG       GLU 100  -9.853  10.040  13.980
  Start of MODEL   15
    1   1H    SER   1          1H        SER   1  12.093  -0.219   3.445
    2   2H    SER   1          2H        SER   1  12.952   1.211   3.046
    3   3H    SER   1          3H        SER   1  12.565   0.071   1.823
    4    HA   SER   1           HA       SER   1  11.169   2.058   1.833
    5   1HB   SER   1          2HB       SER   1  10.431  -0.756   1.797
    6   2HB   SER   1          1HB       SER   1   9.062   0.265   2.238
    7    HG   SER   1           HG       SER   1   9.270   1.361   0.332
    8    H    GLU   2           H        GLU   2   8.641   2.113   2.838
    9    HA   GLU   2           HA       GLU   2   8.551   1.908   5.678
   10   1HB   GLU   2          2HB       GLU   2   9.899   4.131   4.819
   11   2HB   GLU   2          1HB       GLU   2   8.262   4.750   4.980
   12   1HG   GLU   2          2HG       GLU   2   9.125   5.161   7.061
   13   2HG   GLU   2          1HG       GLU   2   8.335   3.604   7.306
   14    HA   PRO   3           HA       PRO   3   4.428   2.301   3.602
   15   1HB   PRO   3          2HB       PRO   3   3.629  -0.233   3.735
   16   2HB   PRO   3          1HB       PRO   3   4.835   0.235   2.541
   17   1HG   PRO   3          2HG       PRO   3   5.205  -1.173   5.141
   18   2HG   PRO   3          1HG       PRO   3   6.012  -1.455   3.589
   19   1HD   PRO   3          2HD       PRO   3   7.045   0.030   5.721
   20   2HD   PRO   3          1HD       PRO   3   7.626   0.083   4.045
   21    H    TRP   4           H        TRP   4   5.224   0.321   6.473
   22    HA   TRP   4           HA       TRP   4   4.289   0.227   8.547
   23   1HB   TRP   4          2HB       TRP   4   3.287   2.787   7.544
   24   2HB   TRP   4          1HB       TRP   4   2.155   2.005   8.641
   25    HD1  TRP   4           HD1      TRP   4   2.547   3.680  10.640
   26    HE1  TRP   4           HE1      TRP   4   4.523   4.079  12.240
   27    HE3  TRP   4           HE3      TRP   4   6.154   1.053   8.146
   28    HZ2  TRP   4           HZ2      TRP   4   7.251   3.373  12.421
   29    HZ3  TRP   4           HZ3      TRP   4   8.420   0.965   9.099
   30    HH2  TRP   4           HH2      TRP   4   8.956   2.101  11.192
   31    H    PHE   5           H        PHE   5   3.490  -1.803   8.210
   32    HA   PHE   5           HA       PHE   5   1.081  -2.283   6.746
   33   1HB   PHE   5          2HB       PHE   5   1.379  -4.609   7.395
   34   2HB   PHE   5          1HB       PHE   5   2.910  -3.931   6.851
   35    HD1  PHE   5           HD1      PHE   5   1.052  -5.286   9.669
   36    HD2  PHE   5           HD2      PHE   5   4.704  -3.480   8.442
   37    HE1  PHE   5           HE1      PHE   5   2.106  -5.995  11.776
   38    HE2  PHE   5           HE2      PHE   5   5.766  -4.186  10.546
   39    HZ   PHE   5           HZ       PHE   5   4.466  -5.446  12.217
   40    H    PHE   6           H        PHE   6  -0.937  -2.375   7.418
   41    HA   PHE   6           HA       PHE   6  -1.504  -2.651  10.286
   42   1HB   PHE   6          2HB       PHE   6  -1.856  -0.256   8.774
   43   2HB   PHE   6          1HB       PHE   6  -3.453  -0.898   9.150
   44    HD1  PHE   6           HD1      PHE   6  -0.931   1.198  10.276
   45    HD2  PHE   6           HD2      PHE   6  -3.668  -1.742  11.680
   46    HE1  PHE   6           HE1      PHE   6  -0.762   2.132  12.546
   47    HE2  PHE   6           HE2      PHE   6  -3.505  -0.813  13.952
   48    HZ   PHE   6           HZ       PHE   6  -2.051   1.125  14.388
   49    H    GLY   7           H        GLY   7  -2.357  -4.684  10.144
   50   1HA   GLY   7          2HA       GLY   7  -4.171  -5.364   7.997
   51   2HA   GLY   7          1HA       GLY   7  -3.617  -6.433   9.275
   52    H    CYS   8           H        CYS   8  -4.820  -3.410  10.354
   53    HA   CYS   8           HA       CYS   8  -7.391  -4.681  10.928
   54   1HB   CYS   8          2HB       CYS   8  -5.631  -3.081  12.767
   55   2HB   CYS   8          1HB       CYS   8  -7.346  -3.310  13.092
   56    HG   CYS   8           HG       CYS   8  -6.818  -5.498  14.030
   57    H    ILE   9           H        ILE   9  -5.912  -2.130   9.405
   58    HA   ILE   9           HA       ILE   9  -7.828  -0.068   9.975
   59    HB   ILE   9           HB       ILE   9  -6.792   1.130   8.070
   60   1HG1  ILE   9          2HG1      ILE   9  -5.077  -1.345   7.844
   61   2HG1  ILE   9          1HG1      ILE   9  -6.294  -0.833   6.681
   62   1HG2  ILE   9          1HG2      ILE   9  -5.634   1.750   9.909
   63   2HG2  ILE   9          2HG2      ILE   9  -4.335   0.879   9.097
   64   3HG2  ILE   9          3HG2      ILE   9  -5.263   0.090  10.372
   65   1HD1  ILE   9          1HD1      ILE   9  -3.553   0.009   6.994
   66   2HD1  ILE   9          2HD1      ILE   9  -4.674   1.372   6.947
   67   3HD1  ILE   9          3HD1      ILE   9  -4.656   0.199   5.631
   68    H    SER  10           H        SER  10  -9.651   0.456   8.884
   69    HA   SER  10           HA       SER  10 -10.614  -1.455   6.908
   70   1HB   SER  10          2HB       SER  10 -11.953  -0.450   8.933
   71   2HB   SER  10          1HB       SER  10 -12.208   0.911   7.840
   72    HG   SER  10           HG       SER  10 -13.708  -0.245   6.955
   73    H    ARG  11           H        ARG  11 -11.598  -0.713   4.895
   74    HA   ARG  11           HA       ARG  11  -9.932   0.873   3.367
   75   1HB   ARG  11          2HB       ARG  11 -11.527  -0.710   2.394
   76   2HB   ARG  11          1HB       ARG  11 -12.862   0.312   2.910
   77   1HG   ARG  11          2HG       ARG  11 -12.326   1.986   1.356
   78   2HG   ARG  11          1HG       ARG  11 -10.724   1.310   1.057
   79   1HD   ARG  11          2HD       ARG  11 -12.478  -0.755   0.442
   80   2HD   ARG  11          1HD       ARG  11 -13.262   0.690  -0.194
   81    HE   ARG  11           HE       ARG  11 -10.473   0.466  -0.875
   82   1HH1  ARG  11          2HH1      ARG  11 -13.733  -0.366  -1.803
   83   2HH1  ARG  11          1HH1      ARG  11 -13.337  -0.577  -3.476
   84   1HH2  ARG  11          1HH2      ARG  11  -9.950   0.189  -3.073
   85   2HH2  ARG  11          2HH2      ARG  11 -11.187  -0.263  -4.197
   86    H    SER  12           H        SER  12 -12.583   1.765   5.362
   87    HA   SER  12           HA       SER  12 -13.022   4.367   4.347
   88   1HB   SER  12          2HB       SER  12 -14.396   4.724   6.236
   89   2HB   SER  12          1HB       SER  12 -14.537   2.998   5.905
   90    HG   SER  12           HG       SER  12 -12.758   2.800   7.506
   91    H    GLU  13           H        GLU  13 -10.845   3.059   6.783
   92    HA   GLU  13           HA       GLU  13  -9.957   5.622   7.698
   93   1HB   GLU  13          2HB       GLU  13  -8.507   3.001   8.027
   94   2HB   GLU  13          1HB       GLU  13  -8.365   4.442   9.024
   95   1HG   GLU  13          2HG       GLU  13 -11.000   3.929   9.288
   96   2HG   GLU  13          1HG       GLU  13 -10.370   2.296   9.076
   97    H    ALA  14           H        ALA  14  -8.368   3.066   5.769
   98    HA   ALA  14           HA       ALA  14  -6.013   4.363   5.211
   99   1HB   ALA  14          1HB       ALA  14  -6.308   2.067   4.607
  100   2HB   ALA  14          2HB       ALA  14  -5.932   2.974   3.142
  101   3HB   ALA  14          3HB       ALA  14  -7.592   2.477   3.470
  102    H    VAL  15           H        VAL  15  -9.174   5.036   3.971
  103    HA   VAL  15           HA       VAL  15  -8.263   6.552   1.703
  104    HB   VAL  15           HB       VAL  15 -10.961   6.536   3.065
  105   1HG1  VAL  15          1HG1      VAL  15  -9.888   8.083   0.802
  106   2HG1  VAL  15          2HG1      VAL  15 -11.224   8.446   1.894
  107   3HG1  VAL  15          3HG1      VAL  15 -11.466   7.338   0.543
  108   1HG2  VAL  15          1HG2      VAL  15 -10.646   5.353   0.398
  109   2HG2  VAL  15          2HG2      VAL  15 -11.552   4.776   1.797
  110   3HG2  VAL  15          3HG2      VAL  15  -9.813   4.496   1.696
  111    H    ARG  16           H        ARG  16  -9.585   7.404   4.908
  112    HA   ARG  16           HA       ARG  16  -8.999  10.202   4.496
  113   1HB   ARG  16          2HB       ARG  16 -10.279   8.596   6.660
  114   2HB   ARG  16          1HB       ARG  16  -9.667  10.198   7.049
  115   1HG   ARG  16          2HG       ARG  16 -11.066  11.130   5.239
  116   2HG   ARG  16          1HG       ARG  16 -11.734   9.520   4.968
  117   1HD   ARG  16          2HD       ARG  16 -11.810  10.557   7.740
  118   2HD   ARG  16          1HD       ARG  16 -12.885  11.325   6.571
  119    HE   ARG  16           HE       ARG  16 -13.342   8.694   6.178
  120   1HH1  ARG  16          2HH1      ARG  16 -13.325  10.700   9.033
  121   2HH1  ARG  16          1HH1      ARG  16 -14.511   9.748   9.861
  122   1HH2  ARG  16          1HH2      ARG  16 -14.903   7.441   7.266
  123   2HH2  ARG  16          2HH2      ARG  16 -15.407   7.898   8.859
  124    H    ARG  17           H        ARG  17  -7.380   7.488   5.678
  125    HA   ARG  17           HA       ARG  17  -5.608   8.834   7.484
  126   1HB   ARG  17          2HB       ARG  17  -6.339   6.338   7.473
  127   2HB   ARG  17          1HB       ARG  17  -5.069   6.137   6.275
  128   1HG   ARG  17          2HG       ARG  17  -3.519   7.223   7.981
  129   2HG   ARG  17          1HG       ARG  17  -4.818   6.963   9.145
  130   1HD   ARG  17          2HD       ARG  17  -4.711   4.624   8.903
  131   2HD   ARG  17          1HD       ARG  17  -3.742   4.739   7.436
  132    HE   ARG  17           HE       ARG  17  -2.452   5.856   9.743
  133   1HH1  ARG  17          2HH1      ARG  17  -3.057   2.917   7.963
  134   2HH1  ARG  17          1HH1      ARG  17  -1.649   2.112   8.568
  135   1HH2  ARG  17          1HH2      ARG  17  -0.600   4.798  10.542
  136   2HH2  ARG  17          2HH2      ARG  17  -0.254   3.179  10.033
  137    H    LEU  18           H        LEU  18  -5.376   7.536   4.191
  138    HA   LEU  18           HA       LEU  18  -2.672   8.264   3.793
  139   1HB   LEU  18          2HB       LEU  18  -4.895   7.388   2.057
  140   2HB   LEU  18          1HB       LEU  18  -3.513   8.155   1.297
  141    HG   LEU  18           HG       LEU  18  -3.347   5.702   1.302
  142   1HD1  LEU  18          1HD1      LEU  18  -1.234   6.583   3.187
  143   2HD1  LEU  18          2HD1      LEU  18  -1.383   7.435   1.652
  144   3HD1  LEU  18          3HD1      LEU  18  -1.101   5.694   1.672
  145   1HD2  LEU  18          1HD2      LEU  18  -3.699   4.439   3.108
  146   2HD2  LEU  18          2HD2      LEU  18  -4.351   5.888   3.868
  147   3HD2  LEU  18          3HD2      LEU  18  -2.664   5.453   4.110
  148    H    GLN  19           H        GLN  19  -5.708   9.781   3.041
  149    HA   GLN  19           HA       GLN  19  -4.557  12.054   1.743
  150   1HB   GLN  19          2HB       GLN  19  -6.787  12.941   1.646
  151   2HB   GLN  19          1HB       GLN  19  -6.842  11.228   1.258
  152   1HG   GLN  19          2HG       GLN  19  -8.469  11.068   2.747
  153   2HG   GLN  19          1HG       GLN  19  -7.232  11.283   3.984
  154   1HE2  GLN  19          1HE2      GLN  19  -9.265  12.088   5.071
  155   2HE2  GLN  19          2HE2      GLN  19  -9.599  13.778   4.935
  156    H    ALA  20           H        ALA  20  -4.992  11.202   5.024
  157    HA   ALA  20           HA       ALA  20  -5.527  13.568   6.321
  158   1HB   ALA  20          1HB       ALA  20  -3.325  11.978   7.478
  159   2HB   ALA  20          2HB       ALA  20  -4.821  11.109   7.142
  160   3HB   ALA  20          3HB       ALA  20  -4.839  12.517   8.203
  161    H    GLU  21           H        GLU  21  -3.730  14.785   7.700
  162    HA   GLU  21           HA       GLU  21  -1.926  15.880   5.721
  163   1HB   GLU  21          2HB       GLU  21  -2.717  16.839   8.461
  164   2HB   GLU  21          1HB       GLU  21  -1.479  17.635   7.497
  165   1HG   GLU  21          2HG       GLU  21  -3.572  17.472   5.744
  166   2HG   GLU  21          1HG       GLU  21  -4.382  17.742   7.286
  167    H    GLY  22           H        GLY  22  -1.626  13.350   7.285
  168   1HA   GLY  22          2HA       GLY  22   1.019  13.779   8.477
  169   2HA   GLY  22          1HA       GLY  22   0.043  12.324   8.643
  170    H    ASN  23           H        ASN  23  -0.382  12.943   5.560
  171    HA   ASN  23           HA       ASN  23   1.973  11.400   4.694
  172   1HB   ASN  23          2HB       ASN  23  -0.883  11.390   3.741
  173   2HB   ASN  23          1HB       ASN  23   0.426  10.615   2.857
  174   1HD2  ASN  23          1HD2      ASN  23  -0.838   8.674   3.180
  175   2HD2  ASN  23          2HD2      ASN  23  -0.684   7.802   4.662
  176    H    ALA  24           H        ALA  24   3.306  12.338   3.335
  177    HA   ALA  24           HA       ALA  24   2.368  14.699   1.870
  178   1HB   ALA  24          1HB       ALA  24   4.174  15.533   2.954
  179   2HB   ALA  24          2HB       ALA  24   5.026  14.844   1.572
  180   3HB   ALA  24          3HB       ALA  24   4.952  13.957   3.094
  181    H    THR  25           H        THR  25   1.381  12.855   0.571
  182    HA   THR  25           HA       THR  25   1.224  11.704  -1.347
  183    HB   THR  25           HB       THR  25   2.623  12.481  -3.254
  184    HG1  THR  25           HG1      THR  25   4.441  12.976  -1.687
  185   1HG2  THR  25          1HG2      THR  25   1.706  14.609  -3.451
  186   2HG2  THR  25          2HG2      THR  25   1.747  14.889  -1.711
  187   3HG2  THR  25          3HG2      THR  25   0.585  13.752  -2.394
  188    H    GLY  26           H        GLY  26   1.822   9.796  -2.215
  189   1HA   GLY  26          2HA       GLY  26   3.202   7.964  -2.689
  190   2HA   GLY  26          1HA       GLY  26   4.536   8.784  -1.882
  191    H    ALA  27           H        ALA  27   2.714   9.343   0.458
  192    HA   ALA  27           HA       ALA  27   3.483   7.400   2.199
  193   1HB   ALA  27          1HB       ALA  27   1.635   8.085   3.626
  194   2HB   ALA  27          2HB       ALA  27   0.841   8.849   2.248
  195   3HB   ALA  27          3HB       ALA  27   2.368   9.491   2.853
  196    H    PHE  28           H        PHE  28   3.090   5.266   2.360
  197    HA   PHE  28           HA       PHE  28   0.571   4.241   1.201
  198   1HB   PHE  28          2HB       PHE  28   2.016   2.247   0.511
  199   2HB   PHE  28          1HB       PHE  28   2.209   3.738  -0.399
  200    HD1  PHE  28           HD1      PHE  28   4.111   5.325   0.469
  201    HD2  PHE  28           HD2      PHE  28   3.900   1.167   1.264
  202    HE1  PHE  28           HE1      PHE  28   6.515   5.301   0.923
  203    HE2  PHE  28           HE2      PHE  28   6.319   1.137   1.735
  204    HZ   PHE  28           HZ       PHE  28   7.631   3.209   1.561
  205    H    LEU  29           H        LEU  29   0.071   2.063   1.996
  206    HA   LEU  29           HA       LEU  29   1.208   1.226   4.505
  207   1HB   LEU  29          2HB       LEU  29  -1.053   1.293   5.634
  208   2HB   LEU  29          1HB       LEU  29  -0.196   2.808   5.476
  209    HG   LEU  29           HG       LEU  29  -2.002   3.733   4.542
  210   1HD1  LEU  29          1HD1      LEU  29  -1.380   3.358   2.358
  211   2HD1  LEU  29          2HD1      LEU  29  -3.010   2.700   2.430
  212   3HD1  LEU  29          3HD1      LEU  29  -1.633   1.622   2.474
  213   1HD2  LEU  29          1HD2      LEU  29  -3.116   0.967   4.809
  214   2HD2  LEU  29          2HD2      LEU  29  -4.080   2.342   4.270
  215   3HD2  LEU  29          3HD2      LEU  29  -3.356   2.348   5.879
  216    H    ILE  30           H        ILE  30   0.821  -0.912   4.948
  217    HA   ILE  30           HA       ILE  30  -0.765  -2.292   2.886
  218    HB   ILE  30           HB       ILE  30   1.088  -3.840   4.601
  219   1HG1  ILE  30          2HG1      ILE  30   2.284  -1.680   3.811
  220   2HG1  ILE  30          1HG1      ILE  30   3.068  -3.222   3.507
  221   1HG2  ILE  30          1HG2      ILE  30   0.731  -5.383   3.051
  222   2HG2  ILE  30          2HG2      ILE  30   1.154  -4.277   1.752
  223   3HG2  ILE  30          3HG2      ILE  30  -0.489  -4.307   2.377
  224   1HD1  ILE  30          1HD1      ILE  30   1.400  -2.552   1.288
  225   2HD1  ILE  30          2HD1      ILE  30   3.146  -2.793   1.350
  226   3HD1  ILE  30          3HD1      ILE  30   2.467  -1.202   1.675
  227    H    ARG  31           H        ARG  31  -2.686  -2.973   3.516
  228    HA   ARG  31           HA       ARG  31  -3.002  -3.836   6.310
  229   1HB   ARG  31          2HB       ARG  31  -5.250  -3.059   6.293
  230   2HB   ARG  31          1HB       ARG  31  -4.267  -1.768   5.626
  231   1HG   ARG  31          2HG       ARG  31  -4.916  -2.559   3.354
  232   2HG   ARG  31          1HG       ARG  31  -6.052  -3.661   4.140
  233   1HD   ARG  31          2HD       ARG  31  -7.196  -1.790   5.178
  234   2HD   ARG  31          1HD       ARG  31  -6.026  -0.665   4.489
  235    HE   ARG  31           HE       ARG  31  -8.296  -1.804   3.180
  236   1HH1  ARG  31          2HH1      ARG  31  -5.074  -0.567   2.663
  237   2HH1  ARG  31          1HH1      ARG  31  -5.377  -0.117   1.019
  238   1HH2  ARG  31          1HH2      ARG  31  -8.697  -1.212   1.025
  239   2HH2  ARG  31          2HH2      ARG  31  -7.437  -0.480   0.091
  240    H    VAL  32           H        VAL  32  -5.246  -5.208   6.363
  241    HA   VAL  32           HA       VAL  32  -4.598  -7.526   4.755
  242    HB   VAL  32           HB       VAL  32  -6.378  -8.662   6.055
  243   1HG1  VAL  32          1HG1      VAL  32  -4.022  -7.347   7.246
  244   2HG1  VAL  32          2HG1      VAL  32  -4.451  -9.056   7.166
  245   3HG1  VAL  32          3HG1      VAL  32  -5.191  -8.017   8.384
  246   1HG2  VAL  32          1HG2      VAL  32  -7.522  -7.554   7.844
  247   2HG2  VAL  32          2HG2      VAL  32  -7.775  -6.618   6.372
  248   3HG2  VAL  32          3HG2      VAL  32  -6.609  -6.069   7.575
  249    H    SER  33           H        SER  33  -5.880  -8.513   3.278
  250    HA   SER  33           HA       SER  33  -7.341  -6.965   1.522
  251   1HB   SER  33          2HB       SER  33  -8.244  -9.220   0.711
  252   2HB   SER  33          1HB       SER  33  -6.493  -9.008   0.712
  253    HG   SER  33           HG       SER  33  -6.352 -10.246   2.543
  254    H    GLU  34           H        GLU  34  -8.966  -5.737   2.453
  255    HA   GLU  34           HA       GLU  34 -10.941  -6.759   4.187
  256   1HB   GLU  34          2HB       GLU  34 -10.580  -4.282   2.596
  257   2HB   GLU  34          1HB       GLU  34 -12.226  -4.673   3.074
  258   1HG   GLU  34          2HG       GLU  34 -10.771  -5.037   5.391
  259   2HG   GLU  34          1HG       GLU  34 -10.032  -3.621   4.645
  260    H    LYS  35           H        LYS  35 -10.457  -6.985   0.844
  261    HA   LYS  35           HA       LYS  35 -13.134  -8.142   0.470
  262   1HB   LYS  35          2HB       LYS  35 -11.910  -7.450  -2.043
  263   2HB   LYS  35          1HB       LYS  35 -13.444  -6.920  -1.373
  264   1HG   LYS  35          2HG       LYS  35 -10.811  -5.663  -0.645
  265   2HG   LYS  35          1HG       LYS  35 -11.829  -5.098  -1.971
  266   1HD   LYS  35          2HD       LYS  35 -13.059  -5.445   0.717
  267   2HD   LYS  35          1HD       LYS  35 -12.006  -4.054   0.448
  268   1HE   LYS  35          2HE       LYS  35 -14.519  -4.781  -1.046
  269   2HE   LYS  35          1HE       LYS  35 -14.246  -3.372  -0.022
  270   1HZ   LYS  35          1HZ       LYS  35 -13.303  -3.899  -2.750
  271   2HZ   LYS  35          2HZ       LYS  35 -12.355  -2.926  -1.742
  272   3HZ   LYS  35          3HZ       LYS  35 -13.950  -2.482  -2.090
  273    HA   PRO  36           HA       PRO  36 -10.005 -10.827  -2.212
  274   1HB   PRO  36          2HB       PRO  36  -7.474 -10.020  -0.872
  275   2HB   PRO  36          1HB       PRO  36  -7.777 -10.391  -2.569
  276   1HG   PRO  36          2HG       PRO  36  -7.431  -7.878  -1.768
  277   2HG   PRO  36          1HG       PRO  36  -8.619  -8.283  -3.022
  278   1HD   PRO  36          2HD       PRO  36  -9.046  -7.625  -0.141
  279   2HD   PRO  36          1HD       PRO  36 -10.019  -7.184  -1.558
  280    H    SER  37           H        SER  37  -8.108 -12.490  -1.267
  281    HA   SER  37           HA       SER  37  -8.872 -13.162   1.488
  282   1HB   SER  37          2HB       SER  37  -8.858 -15.625   0.636
  283   2HB   SER  37          1HB       SER  37 -10.289 -14.632   0.362
  284    HG   SER  37           HG       SER  37  -8.529 -15.711  -1.439
  285    H    ALA  38           H        ALA  38  -7.237 -13.825   2.745
  286    HA   ALA  38           HA       ALA  38  -5.092 -14.184   3.434
  287   1HB   ALA  38          1HB       ALA  38  -5.864 -16.335   2.064
  288   2HB   ALA  38          2HB       ALA  38  -4.259 -16.190   2.781
  289   3HB   ALA  38          3HB       ALA  38  -4.492 -15.856   1.066
  290    H    ASP  39           H        ASP  39  -5.392 -11.832   1.945
  291    HA   ASP  39           HA       ASP  39  -2.708 -11.612   0.776
  292   1HB   ASP  39          2HB       ASP  39  -5.104 -10.216  -0.415
  293   2HB   ASP  39          1HB       ASP  39  -3.486 -10.352  -1.090
  294    H    TYR  40           H        TYR  40  -2.707  -8.947   0.143
  295    HA   TYR  40           HA       TYR  40  -3.594  -7.482   2.512
  296   1HB   TYR  40          2HB       TYR  40  -0.774  -8.114   1.881
  297   2HB   TYR  40          1HB       TYR  40  -1.076  -6.393   2.106
  298    HD1  TYR  40           HD1      TYR  40  -1.961  -9.631   3.757
  299    HD2  TYR  40           HD2      TYR  40  -0.847  -5.556   4.246
  300    HE1  TYR  40           HE1      TYR  40  -1.892  -9.949   6.194
  301    HE2  TYR  40           HE2      TYR  40  -0.770  -5.863   6.683
  302    HH   TYR  40           HH       TYR  40  -2.099  -8.517   8.243
  303    H    VAL  41           H        VAL  41  -4.260  -5.513   2.059
  304    HA   VAL  41           HA       VAL  41  -3.976  -4.687  -0.743
  305    HB   VAL  41           HB       VAL  41  -5.858  -3.021  -0.018
  306   1HG1  VAL  41          1HG1      VAL  41  -6.387  -4.564  -1.667
  307   2HG1  VAL  41          2HG1      VAL  41  -7.510  -5.010  -0.382
  308   3HG1  VAL  41          3HG1      VAL  41  -6.037  -5.948  -0.632
  309   1HG2  VAL  41          1HG2      VAL  41  -5.446  -4.196   2.410
  310   2HG2  VAL  41          2HG2      VAL  41  -6.796  -5.140   1.793
  311   3HG2  VAL  41          3HG2      VAL  41  -6.937  -3.391   1.932
  312    H    LEU  42           H        LEU  42  -2.886  -2.943  -1.296
  313    HA   LEU  42           HA       LEU  42  -1.774  -1.317   0.867
  314   1HB   LEU  42          2HB       LEU  42  -0.110  -2.442  -0.469
  315   2HB   LEU  42          1HB       LEU  42  -0.805  -1.792  -1.940
  316    HG   LEU  42           HG       LEU  42  -0.150   0.476  -1.274
  317   1HD1  LEU  42          1HD1      LEU  42   0.371  -0.899   1.264
  318   2HD1  LEU  42          2HD1      LEU  42  -0.071   0.773   0.934
  319   3HD1  LEU  42          3HD1      LEU  42   1.605   0.259   0.770
  320   1HD2  LEU  42          1HD2      LEU  42   2.019  -1.621  -1.156
  321   2HD2  LEU  42          2HD2      LEU  42   2.319   0.107  -1.326
  322   3HD2  LEU  42          3HD2      LEU  42   1.436  -0.761  -2.581
  323    H    SER  43           H        SER  43  -2.007   0.853   0.876
  324    HA   SER  43           HA       SER  43  -3.355   2.050  -1.419
  325   1HB   SER  43          2HB       SER  43  -5.150   2.612  -0.307
  326   2HB   SER  43          1HB       SER  43  -4.555   1.695   1.074
  327    HG   SER  43           HG       SER  43  -5.063   4.069   1.311
  328    H    VAL  44           H        VAL  44  -3.133   4.333  -1.602
  329    HA   VAL  44           HA       VAL  44  -0.889   5.461  -0.127
  330    HB   VAL  44           HB       VAL  44   0.019   4.145  -2.092
  331   1HG1  VAL  44          1HG1      VAL  44  -1.849   5.084  -3.616
  332   2HG1  VAL  44          2HG1      VAL  44  -0.227   4.878  -4.275
  333   3HG1  VAL  44          3HG1      VAL  44  -0.781   6.478  -3.783
  334   1HG2  VAL  44          1HG2      VAL  44   0.637   6.924  -1.335
  335   2HG2  VAL  44          2HG2      VAL  44   1.380   6.340  -2.824
  336   3HG2  VAL  44          3HG2      VAL  44   1.649   5.482  -1.307
  337    H    ARG  45           H        ARG  45  -0.860   7.643  -0.027
  338    HA   ARG  45           HA       ARG  45  -3.209   9.061  -0.772
  339   1HB   ARG  45          2HB       ARG  45  -1.748   9.653   1.187
  340   2HB   ARG  45          1HB       ARG  45  -0.529  10.207   0.050
  341   1HG   ARG  45          2HG       ARG  45  -2.630  11.631  -0.817
  342   2HG   ARG  45          1HG       ARG  45  -3.052  11.471   0.885
  343   1HD   ARG  45          2HD       ARG  45  -0.647  12.219   1.352
  344   2HD   ARG  45          1HD       ARG  45  -0.621  12.726  -0.337
  345    HE   ARG  45           HE       ARG  45  -2.815  13.726   1.288
  346   1HH1  ARG  45          2HH1      ARG  45   0.331  14.340  -0.106
  347   2HH1  ARG  45          1HH1      ARG  45   0.193  16.059   0.039
  348   1HH2  ARG  45          1HH2      ARG  45  -2.991  15.984   1.473
  349   2HH2  ARG  45          2HH2      ARG  45  -1.691  16.992   0.932
  350    H    ASP  46           H        ASP  46  -0.453   8.085  -2.394
  351    HA   ASP  46           HA       ASP  46   0.513   8.632  -4.391
  352   1HB   ASP  46          2HB       ASP  46  -1.574   7.845  -5.278
  353   2HB   ASP  46          1HB       ASP  46  -2.350   9.389  -4.953
  354    H    THR  47           H        THR  47  -1.691  11.211  -5.013
  355    HA   THR  47           HA       THR  47   0.414  13.152  -4.349
  356    HB   THR  47           HB       THR  47   0.277  12.788  -6.783
  357    HG1  THR  47           HG1      THR  47   0.776  14.881  -5.911
  358   1HG2  THR  47          1HG2      THR  47  -1.580  12.857  -8.009
  359   2HG2  THR  47          2HG2      THR  47  -2.234  14.232  -7.119
  360   3HG2  THR  47          3HG2      THR  47  -2.420  12.598  -6.479
  361    H    GLN  48           H        GLN  48  -2.728  12.213  -3.756
  362    HA   GLN  48           HA       GLN  48  -3.334  14.184  -1.963
  363   1HB   GLN  48          2HB       GLN  48  -3.842  15.029  -4.710
  364   2HB   GLN  48          1HB       GLN  48  -5.258  15.164  -3.677
  365   1HG   GLN  48          2HG       GLN  48  -3.259  16.237  -2.128
  366   2HG   GLN  48          1HG       GLN  48  -2.839  16.772  -3.755
  367   1HE2  GLN  48          1HE2      GLN  48  -4.067  18.019  -1.225
  368   2HE2  GLN  48          2HE2      GLN  48  -5.399  18.930  -1.841
  369    H    ALA  49           H        ALA  49  -4.543  12.044  -4.382
  370    HA   ALA  49           HA       ALA  49  -6.911  11.445  -2.752
  371   1HB   ALA  49          1HB       ALA  49  -7.344  10.020  -4.983
  372   2HB   ALA  49          2HB       ALA  49  -6.312  11.289  -5.642
  373   3HB   ALA  49          3HB       ALA  49  -7.810  11.713  -4.814
  374    H    VAL  50           H        VAL  50  -7.373   9.318  -2.108
  375    HA   VAL  50           HA       VAL  50  -5.025   7.689  -1.722
  376    HB   VAL  50           HB       VAL  50  -7.872   7.188  -0.843
  377   1HG1  VAL  50          1HG1      VAL  50  -5.297   5.790  -0.113
  378   2HG1  VAL  50          2HG1      VAL  50  -6.653   5.103  -1.004
  379   3HG1  VAL  50          3HG1      VAL  50  -6.846   5.540   0.693
  380   1HG2  VAL  50          1HG2      VAL  50  -7.250   9.017   0.397
  381   2HG2  VAL  50          2HG2      VAL  50  -5.540   8.584   0.378
  382   3HG2  VAL  50          3HG2      VAL  50  -6.662   7.707   1.419
  383    H    ARG  51           H        ARG  51  -4.397   6.080  -2.919
  384    HA   ARG  51           HA       ARG  51  -6.314   4.830  -4.772
  385   1HB   ARG  51          2HB       ARG  51  -3.320   5.160  -5.041
  386   2HB   ARG  51          1HB       ARG  51  -4.339   4.281  -6.172
  387   1HG   ARG  51          2HG       ARG  51  -5.623   6.531  -6.351
  388   2HG   ARG  51          1HG       ARG  51  -4.141   7.218  -5.686
  389   1HD   ARG  51          2HD       ARG  51  -3.006   6.920  -7.600
  390   2HD   ARG  51          1HD       ARG  51  -3.697   5.323  -7.867
  391    HE   ARG  51           HE       ARG  51  -5.436   6.287  -9.078
  392   1HH1  ARG  51          2HH1      ARG  51  -3.328   8.746  -7.763
  393   2HH1  ARG  51          1HH1      ARG  51  -3.952   9.997  -8.782
  394   1HH2  ARG  51          1HH2      ARG  51  -6.255   7.935 -10.412
  395   2HH2  ARG  51          2HH2      ARG  51  -5.613   9.539 -10.282
  396    H    HIS  52           H        HIS  52  -6.964   3.000  -3.788
  397    HA   HIS  52           HA       HIS  52  -5.141   1.521  -2.098
  398   1HB   HIS  52          2HB       HIS  52  -8.011   0.932  -2.897
  399   2HB   HIS  52          1HB       HIS  52  -7.096   0.079  -1.653
  400    HD1  HIS  52           HD1      HIS  52  -6.494   1.423   0.486
  401    HD2  HIS  52           HD2      HIS  52  -9.046   3.390  -2.123
  402    HE1  HIS  52           HE1      HIS  52  -7.226   3.475   1.699
  403    HE2  HIS  52           HE2      HIS  52  -8.676   4.719   0.065
  404    H    TYR  53           H        TYR  53  -4.888  -0.843  -2.353
  405    HA   TYR  53           HA       TYR  53  -5.143  -1.881  -5.057
  406   1HB   TYR  53          2HB       TYR  53  -2.420  -1.853  -3.777
  407   2HB   TYR  53          1HB       TYR  53  -2.837  -2.202  -5.450
  408    HD1  TYR  53           HD1      TYR  53  -1.698   0.290  -3.172
  409    HD2  TYR  53           HD2      TYR  53  -3.820  -0.249  -6.818
  410    HE1  TYR  53           HE1      TYR  53  -1.221   2.618  -3.793
  411    HE2  TYR  53           HE2      TYR  53  -3.343   2.077  -7.451
  412    HH   TYR  53           HH       TYR  53  -2.504   4.036  -6.773
  413    H    LYS  54           H        LYS  54  -4.697  -4.124  -5.219
  414    HA   LYS  54           HA       LYS  54  -4.944  -5.565  -2.679
  415   1HB   LYS  54          2HB       LYS  54  -6.790  -6.026  -4.151
  416   2HB   LYS  54          1HB       LYS  54  -5.709  -6.314  -5.506
  417   1HG   LYS  54          2HG       LYS  54  -4.847  -8.314  -4.386
  418   2HG   LYS  54          1HG       LYS  54  -5.957  -8.031  -3.044
  419   1HD   LYS  54          2HD       LYS  54  -7.213  -9.501  -4.252
  420   2HD   LYS  54          1HD       LYS  54  -7.733  -7.998  -5.016
  421   1HE   LYS  54          2HE       LYS  54  -7.246  -9.290  -6.855
  422   2HE   LYS  54          1HE       LYS  54  -5.715  -8.450  -6.611
  423   1HZ   LYS  54          1HZ       LYS  54  -5.361 -10.614  -5.094
  424   2HZ   LYS  54          2HZ       LYS  54  -4.893 -10.523  -6.717
  425   3HZ   LYS  54          3HZ       LYS  54  -6.357 -11.260  -6.300
  426    H    ILE  55           H        ILE  55  -3.052  -6.307  -1.971
  427    HA   ILE  55           HA       ILE  55  -0.946  -7.030  -3.868
  428    HB   ILE  55           HB       ILE  55  -0.622  -7.232  -0.904
  429   1HG1  ILE  55          2HG1      ILE  55  -0.023  -4.598  -2.165
  430   2HG1  ILE  55          1HG1      ILE  55  -1.699  -4.939  -1.747
  431   1HG2  ILE  55          1HG2      ILE  55   1.071  -7.363  -3.163
  432   2HG2  ILE  55          2HG2      ILE  55   1.481  -7.556  -1.458
  433   3HG2  ILE  55          3HG2      ILE  55   1.541  -5.961  -2.203
  434   1HD1  ILE  55          1HD1      ILE  55   0.498  -4.192  -0.064
  435   2HD1  ILE  55          2HD1      ILE  55  -0.245  -5.691   0.489
  436   3HD1  ILE  55          3HD1      ILE  55  -1.227  -4.240   0.290
  437    H    TRP  56           H        TRP  56  -1.485  -8.985  -4.689
  438    HA   TRP  56           HA       TRP  56  -2.584 -11.057  -3.015
  439   1HB   TRP  56          2HB       TRP  56  -3.374 -10.681  -5.315
  440   2HB   TRP  56          1HB       TRP  56  -1.786 -11.104  -5.932
  441    HD1  TRP  56           HD1      TRP  56  -3.403 -13.153  -3.148
  442    HE1  TRP  56           HE1      TRP  56  -3.942 -15.503  -4.053
  443    HE3  TRP  56           HE3      TRP  56  -2.307 -12.385  -8.075
  444    HZ2  TRP  56           HZ2      TRP  56  -3.908 -16.850  -6.534
  445    HZ3  TRP  56           HZ3      TRP  56  -2.588 -14.253  -9.652
  446    HH2  TRP  56           HH2      TRP  56  -3.372 -16.439  -8.897
  447    H    ARG  57           H        ARG  57  -1.671 -13.000  -2.470
  448    HA   ARG  57           HA       ARG  57   1.237 -13.040  -2.401
  449   1HB   ARG  57          2HB       ARG  57  -0.506 -13.590  -0.464
  450   2HB   ARG  57          1HB       ARG  57  -0.412 -15.198  -1.170
  451   1HG   ARG  57          2HG       ARG  57   1.832 -15.443  -0.628
  452   2HG   ARG  57          1HG       ARG  57   2.076 -13.705  -0.440
  453   1HD   ARG  57          2HD       ARG  57   1.553 -13.792   1.721
  454   2HD   ARG  57          1HD       ARG  57   0.058 -14.663   1.385
  455    HE   ARG  57           HE       ARG  57   2.574 -15.783   2.237
  456   1HH1  ARG  57          2HH1      ARG  57  -0.488 -16.426   0.687
  457   2HH1  ARG  57          1HH1      ARG  57  -0.455 -18.120   1.046
  458   1HH2  ARG  57          1HH2      ARG  57   2.616 -18.011   2.709
  459   2HH2  ARG  57          2HH2      ARG  57   1.306 -19.019   2.193
  460    H    ARG  58           H        ARG  58   2.401 -15.038  -2.901
  461    HA   ARG  58           HA       ARG  58   1.268 -16.312  -5.281
  462   1HB   ARG  58          2HB       ARG  58   3.972 -15.640  -4.344
  463   2HB   ARG  58          1HB       ARG  58   3.846 -17.198  -5.144
  464   1HG   ARG  58          2HG       ARG  58   2.416 -15.335  -6.712
  465   2HG   ARG  58          1HG       ARG  58   3.961 -14.595  -6.290
  466   1HD   ARG  58          2HD       ARG  58   4.712 -17.137  -6.943
  467   2HD   ARG  58          1HD       ARG  58   3.370 -16.860  -8.053
  468    HE   ARG  58           HE       ARG  58   5.965 -15.701  -8.189
  469   1HH1  ARG  58          2HH1      ARG  58   2.598 -15.060  -8.846
  470   2HH1  ARG  58          1HH1      ARG  58   2.932 -13.904 -10.091
  471   1HH2  ARG  58          1HH2      ARG  58   6.406 -14.182  -9.826
  472   2HH2  ARG  58          2HH2      ARG  58   5.094 -13.406 -10.648
  473    H    ALA  59           H        ALA  59   0.588 -17.027  -2.447
  474    HA   ALA  59           HA       ALA  59   0.255 -18.878  -1.159
  475   1HB   ALA  59          1HB       ALA  59  -1.041 -19.958  -2.653
  476   2HB   ALA  59          2HB       ALA  59   0.333 -21.061  -2.739
  477   3HB   ALA  59          3HB       ALA  59   0.139 -19.798  -3.955
  478    H    GLY  60           H        GLY  60   3.066 -17.966  -1.678
  479   1HA   GLY  60          2HA       GLY  60   4.379 -20.065  -0.272
  480   2HA   GLY  60          1HA       GLY  60   4.876 -20.033  -1.957
  481    H    GLY  61           H        GLY  61   4.008 -17.148  -0.168
  482   1HA   GLY  61          2HA       GLY  61   5.332 -15.474   0.739
  483   2HA   GLY  61          1HA       GLY  61   6.745 -16.480   0.459
  484    H    ARG  62           H        ARG  62   4.445 -14.297  -1.092
  485    HA   ARG  62           HA       ARG  62   6.342 -12.841  -2.485
  486   1HB   ARG  62          2HB       ARG  62   5.841 -15.356  -3.727
  487   2HB   ARG  62          1HB       ARG  62   5.166 -14.098  -4.754
  488   1HG   ARG  62          2HG       ARG  62   7.507 -12.964  -4.306
  489   2HG   ARG  62          1HG       ARG  62   7.989 -14.637  -4.015
  490   1HD   ARG  62          2HD       ARG  62   7.741 -15.227  -6.185
  491   2HD   ARG  62          1HD       ARG  62   6.364 -14.154  -6.430
  492    HE   ARG  62           HE       ARG  62   8.436 -12.438  -6.183
  493   1HH1  ARG  62          2HH1      ARG  62   7.909 -15.254  -8.177
  494   2HH1  ARG  62          1HH1      ARG  62   8.899 -14.674  -9.475
  495   1HH2  ARG  62          1HH2      ARG  62   9.737 -11.674  -7.889
  496   2HH2  ARG  62          2HH2      ARG  62   9.937 -12.642  -9.311
  497    H    LEU  63           H        LEU  63   5.328 -10.991  -2.545
  498    HA   LEU  63           HA       LEU  63   2.441 -10.892  -2.965
  499   1HB   LEU  63          2HB       LEU  63   4.457  -8.994  -1.822
  500   2HB   LEU  63          1HB       LEU  63   2.910  -8.397  -2.384
  501    HG   LEU  63           HG       LEU  63   2.785  -8.758  -0.014
  502   1HD1  LEU  63          1HD1      LEU  63   1.321 -11.151  -0.945
  503   2HD1  LEU  63          2HD1      LEU  63   0.962  -9.628  -1.757
  504   3HD1  LEU  63          3HD1      LEU  63   0.758  -9.766  -0.011
  505   1HD2  LEU  63          1HD2      LEU  63   3.061 -11.649   0.001
  506   2HD2  LEU  63          2HD2      LEU  63   3.782 -10.439   1.062
  507   3HD2  LEU  63          3HD2      LEU  63   4.552 -10.834  -0.475
  508    H    HIS  64           H        HIS  64   1.483  -9.659  -4.551
  509    HA   HIS  64           HA       HIS  64   3.070  -8.125  -6.380
  510   1HB   HIS  64          2HB       HIS  64   2.239  -9.429  -8.389
  511   2HB   HIS  64          1HB       HIS  64   3.505 -10.189  -7.439
  512    HD1  HIS  64           HD1      HIS  64   2.647 -12.415  -8.616
  513    HD2  HIS  64           HD2      HIS  64   0.027 -10.681  -5.901
  514    HE1  HIS  64           HE1      HIS  64   0.964 -14.201  -8.072
  515    HE2  HIS  64           HE2      HIS  64  -0.520 -13.170  -6.319
  516    H    LEU  65           H        LEU  65   1.839  -6.348  -6.155
  517    HA   LEU  65           HA       LEU  65  -0.965  -6.365  -5.887
  518   1HB   LEU  65          2HB       LEU  65   0.917  -4.171  -6.745
  519   2HB   LEU  65          1HB       LEU  65  -0.793  -3.921  -6.455
  520    HG   LEU  65           HG       LEU  65  -0.363  -4.808  -4.097
  521   1HD1  LEU  65          1HD1      LEU  65   2.045  -4.324  -3.395
  522   2HD1  LEU  65          2HD1      LEU  65   2.433  -4.460  -5.108
  523   3HD1  LEU  65          3HD1      LEU  65   1.730  -5.830  -4.254
  524   1HD2  LEU  65          1HD2      LEU  65   0.073  -2.217  -5.271
  525   2HD2  LEU  65          2HD2      LEU  65   1.102  -2.437  -3.855
  526   3HD2  LEU  65          3HD2      LEU  65  -0.643  -2.637  -3.716
  527    H    ASN  66           H        ASN  66   1.178  -6.359  -8.556
  528    HA   ASN  66           HA       ASN  66  -1.050  -6.714 -10.404
  529   1HB   ASN  66          2HB       ASN  66   0.160  -4.276 -10.276
  530   2HB   ASN  66          1HB       ASN  66   1.160  -5.078 -11.484
  531   1HD2  ASN  66          1HD2      ASN  66  -2.286  -4.803 -10.665
  532   2HD2  ASN  66          2HD2      ASN  66  -2.822  -4.528 -12.284
  533    H    GLU  67           H        GLU  67  -0.102  -7.389 -12.628
  534    HA   GLU  67           HA       GLU  67   1.572  -9.661 -12.166
  535   1HB   GLU  67          2HB       GLU  67   0.331  -8.497 -14.656
  536   2HB   GLU  67          1HB       GLU  67   1.344  -9.934 -14.681
  537   1HG   GLU  67          2HG       GLU  67  -0.505 -11.104 -14.338
  538   2HG   GLU  67          1HG       GLU  67  -0.498 -10.467 -12.694
  539    H    ALA  68           H        ALA  68   3.063  -7.572 -11.419
  540    HA   ALA  68           HA       ALA  68   5.337  -7.779 -13.146
  541   1HB   ALA  68          1HB       ALA  68   4.151  -6.040 -14.337
  542   2HB   ALA  68          2HB       ALA  68   5.601  -5.378 -13.582
  543   3HB   ALA  68          3HB       ALA  68   4.018  -5.086 -12.860
  544    H    VAL  69           H        VAL  69   3.830  -6.460 -10.258
  545    HA   VAL  69           HA       VAL  69   6.465  -5.865  -9.123
  546    HB   VAL  69           HB       VAL  69   5.254  -4.781  -7.288
  547   1HG1  VAL  69          1HG1      VAL  69   3.847  -3.539  -9.522
  548   2HG1  VAL  69          2HG1      VAL  69   5.551  -3.860  -9.849
  549   3HG1  VAL  69          3HG1      VAL  69   5.089  -2.882  -8.455
  550   1HG2  VAL  69          1HG2      VAL  69   3.173  -6.402  -7.912
  551   2HG2  VAL  69          2HG2      VAL  69   2.644  -4.884  -8.635
  552   3HG2  VAL  69          3HG2      VAL  69   3.042  -4.952  -6.919
  553    H    SER  70           H        SER  70   6.396  -8.478  -9.346
  554    HA   SER  70           HA       SER  70   5.203  -9.714  -7.014
  555   1HB   SER  70          2HB       SER  70   6.724 -11.687  -8.039
  556   2HB   SER  70          1HB       SER  70   5.125 -11.286  -8.668
  557    HG   SER  70           HG       SER  70   7.568 -10.231  -9.655
  558    H    PHE  71           H        PHE  71   6.166 -10.015  -5.113
  559    HA   PHE  71           HA       PHE  71   9.043 -10.288  -4.902
  560   1HB   PHE  71          2HB       PHE  71   7.606  -7.822  -4.082
  561   2HB   PHE  71          1HB       PHE  71   8.894  -8.408  -3.035
  562    HD1  PHE  71           HD1      PHE  71  11.199  -8.598  -3.902
  563    HD2  PHE  71           HD2      PHE  71   8.076  -6.817  -6.178
  564    HE1  PHE  71           HE1      PHE  71  12.872  -7.561  -5.378
  565    HE2  PHE  71           HE2      PHE  71   9.742  -5.777  -7.660
  566    HZ   PHE  71           HZ       PHE  71  12.146  -6.149  -7.260
  567    H    LEU  72           H        LEU  72   9.536 -11.655  -3.433
  568    HA   LEU  72           HA       LEU  72   8.217 -13.416  -2.070
  569   1HB   LEU  72          2HB       LEU  72   9.907 -13.107  -0.147
  570   2HB   LEU  72          1HB       LEU  72  10.499 -13.474  -1.759
  571    HG   LEU  72           HG       LEU  72  10.665 -10.856  -1.971
  572   1HD1  LEU  72          1HD1      LEU  72  10.124  -9.757  -0.114
  573   2HD1  LEU  72          2HD1      LEU  72  11.563 -10.445   0.638
  574   3HD1  LEU  72          3HD1      LEU  72  10.003 -11.249   0.817
  575   1HD2  LEU  72          1HD2      LEU  72  12.501 -12.600  -1.983
  576   2HD2  LEU  72          2HD2      LEU  72  12.684 -12.288  -0.257
  577   3HD2  LEU  72          3HD2      LEU  72  12.957 -10.992  -1.421
  578    H    SER  73           H        SER  73   8.420 -10.084  -0.839
  579    HA   SER  73           HA       SER  73   6.074 -10.587   0.789
  580   1HB   SER  73          2HB       SER  73   8.118 -11.127   2.187
  581   2HB   SER  73          1HB       SER  73   8.536  -9.417   2.080
  582    HG   SER  73           HG       SER  73   7.345  -9.457   3.864
  583    H    LEU  74           H        LEU  74   5.511  -8.463   2.041
  584    HA   LEU  74           HA       LEU  74   4.905  -6.507   0.168
  585   1HB   LEU  74          2HB       LEU  74   4.551  -6.864   2.986
  586   2HB   LEU  74          1HB       LEU  74   5.050  -5.214   2.675
  587    HG   LEU  74           HG       LEU  74   2.781  -5.005   2.562
  588   1HD1  LEU  74          1HD1      LEU  74   4.063  -4.621   0.258
  589   2HD1  LEU  74          2HD1      LEU  74   2.338  -4.328   0.443
  590   3HD1  LEU  74          3HD1      LEU  74   2.901  -5.836  -0.273
  591   1HD2  LEU  74          1HD2      LEU  74   1.808  -7.024   2.884
  592   2HD2  LEU  74          2HD2      LEU  74   2.844  -7.834   1.709
  593   3HD2  LEU  74          3HD2      LEU  74   1.480  -6.860   1.160
  594    HA   PRO  75           HA       PRO  75   8.517  -3.805   2.428
  595   1HB   PRO  75          2HB       PRO  75  10.504  -5.881   2.747
  596   2HB   PRO  75          1HB       PRO  75   9.848  -4.788   3.964
  597   1HG   PRO  75          2HG       PRO  75   9.106  -7.565   3.353
  598   2HG   PRO  75          1HG       PRO  75   8.829  -6.625   4.829
  599   1HD   PRO  75          2HD       PRO  75   6.825  -7.297   3.157
  600   2HD   PRO  75          1HD       PRO  75   6.829  -5.761   4.050
  601    H    GLU  76           H        GLU  76   9.342  -6.767   0.605
  602    HA   GLU  76           HA       GLU  76  11.207  -5.360  -1.068
  603   1HB   GLU  76          2HB       GLU  76   9.980  -8.103  -1.421
  604   2HB   GLU  76          1HB       GLU  76  11.357  -7.470  -2.312
  605   1HG   GLU  76          2HG       GLU  76  11.211  -8.123   0.616
  606   2HG   GLU  76          1HG       GLU  76  12.175  -8.926  -0.624
  607    H    LEU  77           H        LEU  77   7.912  -6.564  -1.352
  608    HA   LEU  77           HA       LEU  77   7.449  -5.999  -4.045
  609   1HB   LEU  77          2HB       LEU  77   5.768  -7.247  -3.096
  610   2HB   LEU  77          1HB       LEU  77   5.757  -6.311  -1.618
  611    HG   LEU  77           HG       LEU  77   3.696  -6.192  -3.116
  612   1HD1  LEU  77          1HD1      LEU  77   4.911  -4.319  -1.431
  613   2HD1  LEU  77          2HD1      LEU  77   3.212  -4.417  -1.887
  614   3HD1  LEU  77          3HD1      LEU  77   4.317  -3.408  -2.819
  615   1HD2  LEU  77          1HD2      LEU  77   4.007  -5.639  -5.241
  616   2HD2  LEU  77          2HD2      LEU  77   5.690  -5.206  -4.951
  617   3HD2  LEU  77          3HD2      LEU  77   4.417  -4.013  -4.698
  618    H    VAL  78           H        VAL  78   6.900  -3.953  -1.189
  619    HA   VAL  78           HA       VAL  78   6.036  -1.698  -2.669
  620    HB   VAL  78           HB       VAL  78   7.149  -1.900   0.136
  621   1HG1  VAL  78          1HG1      VAL  78   5.509   0.391  -0.214
  622   2HG1  VAL  78          2HG1      VAL  78   6.765   0.424  -1.446
  623   3HG1  VAL  78          3HG1      VAL  78   7.205   0.315   0.255
  624   1HG2  VAL  78          1HG2      VAL  78   5.140  -2.946   0.347
  625   2HG2  VAL  78          2HG2      VAL  78   4.450  -2.145  -1.064
  626   3HG2  VAL  78          3HG2      VAL  78   4.570  -1.281   0.468
  627    H    ASN  79           H        ASN  79   9.151  -2.940  -1.716
  628    HA   ASN  79           HA       ASN  79  10.755  -0.690  -1.968
  629   1HB   ASN  79          2HB       ASN  79  11.243  -3.287  -1.426
  630   2HB   ASN  79          1HB       ASN  79  11.839  -3.215  -3.082
  631   1HD2  ASN  79          1HD2      ASN  79  13.284  -3.605  -0.580
  632   2HD2  ASN  79          2HD2      ASN  79  14.464  -2.345  -0.510
  633    H    TYR  80           H        TYR  80   9.492  -2.856  -4.445
  634    HA   TYR  80           HA       TYR  80  10.892  -1.546  -6.591
  635   1HB   TYR  80          2HB       TYR  80  10.175  -3.964  -6.616
  636   2HB   TYR  80          1HB       TYR  80   8.515  -3.405  -6.790
  637    HD1  TYR  80           HD1      TYR  80   8.047  -1.832  -8.817
  638    HD2  TYR  80           HD2      TYR  80  11.455  -4.360  -8.507
  639    HE1  TYR  80           HE1      TYR  80   8.342  -1.726 -11.256
  640    HE2  TYR  80           HE2      TYR  80  11.760  -4.260 -10.944
  641    HH   TYR  80           HH       TYR  80   9.900  -3.735 -13.011
  642    H    HIS  81           H        HIS  81   7.836  -1.255  -4.979
  643    HA   HIS  81           HA       HIS  81   6.467   0.250  -6.956
  644   1HB   HIS  81          2HB       HIS  81   6.071  -0.445  -4.102
  645   2HB   HIS  81          1HB       HIS  81   5.283   1.027  -4.642
  646    HD1  HIS  81           HD1      HIS  81   4.716  -0.263  -7.565
  647    HD2  HIS  81           HD2      HIS  81   3.595  -1.748  -3.850
  648    HE1  HIS  81           HE1      HIS  81   2.771  -1.786  -8.016
  649    HE2  HIS  81           HE2      HIS  81   2.165  -2.739  -5.769
  650    H    ARG  82           H        ARG  82   8.694   1.070  -4.367
  651    HA   ARG  82           HA       ARG  82   8.172   3.869  -4.467
  652   1HB   ARG  82          2HB       ARG  82   9.664   4.104  -2.741
  653   2HB   ARG  82          1HB       ARG  82   9.218   2.415  -2.542
  654   1HG   ARG  82          2HG       ARG  82  11.249   1.846  -3.918
  655   2HG   ARG  82          1HG       ARG  82  11.713   3.541  -3.781
  656   1HD   ARG  82          2HD       ARG  82  11.000   2.332  -1.224
  657   2HD   ARG  82          1HD       ARG  82  12.364   1.537  -2.009
  658    HE   ARG  82           HE       ARG  82  12.321   4.165  -0.852
  659   1HH1  ARG  82          2HH1      ARG  82  13.877   2.107  -3.204
  660   2HH1  ARG  82          1HH1      ARG  82  15.356   3.007  -3.196
  661   1HH2  ARG  82          1HH2      ARG  82  14.267   5.349  -0.842
  662   2HH2  ARG  82          2HH2      ARG  82  15.578   4.846  -1.855
  663    H    ALA  83           H        ALA  83  10.645   1.799  -5.751
  664    HA   ALA  83           HA       ALA  83  12.161   3.911  -6.912
  665   1HB   ALA  83          1HB       ALA  83  12.222   1.100  -7.946
  666   2HB   ALA  83          2HB       ALA  83  12.894   1.480  -6.361
  667   3HB   ALA  83          3HB       ALA  83  13.538   2.265  -7.802
  668    H    GLN  84           H        GLN  84  10.213   1.350  -8.388
  669    HA   GLN  84           HA       GLN  84   9.768   3.064 -10.713
  670   1HB   GLN  84          2HB       GLN  84  10.492   0.464 -10.622
  671   2HB   GLN  84          1HB       GLN  84   8.746   0.290 -10.727
  672   1HG   GLN  84          2HG       GLN  84   9.102   0.384 -12.929
  673   2HG   GLN  84          1HG       GLN  84   9.183   2.124 -12.662
  674   1HE2  GLN  84          1HE2      GLN  84  11.608   2.464 -11.533
  675   2HE2  GLN  84          2HE2      GLN  84  12.858   1.983 -12.624
  676    H    SER  85           H        SER  85   7.849   3.911 -11.226
  677    HA   SER  85           HA       SER  85   5.560   3.369  -9.457
  678   1HB   SER  85          2HB       SER  85   5.125   5.398 -11.506
  679   2HB   SER  85          1HB       SER  85   5.015   5.538  -9.752
  680    HG   SER  85           HG       SER  85   7.226   5.951 -11.438
  681    H    LEU  86           H        LEU  86   6.518   1.495 -11.455
  682    HA   LEU  86           HA       LEU  86   5.625   1.204 -13.868
  683   1HB   LEU  86          2HB       LEU  86   5.630  -1.064 -13.612
  684   2HB   LEU  86          1HB       LEU  86   6.507  -0.553 -12.187
  685    HG   LEU  86           HG       LEU  86   3.563  -1.135 -12.054
  686   1HD1  LEU  86          1HD1      LEU  86   4.721  -3.075 -13.063
  687   2HD1  LEU  86          2HD1      LEU  86   4.043  -3.411 -11.471
  688   3HD1  LEU  86          3HD1      LEU  86   5.775  -3.135 -11.651
  689   1HD2  LEU  86          1HD2      LEU  86   5.658  -1.517  -9.943
  690   2HD2  LEU  86          2HD2      LEU  86   3.915  -1.321  -9.753
  691   3HD2  LEU  86          3HD2      LEU  86   4.912   0.056 -10.222
  692    H    SER  87           H        SER  87   3.276   0.682 -11.212
  693    HA   SER  87           HA       SER  87   1.186   1.816 -12.828
  694   1HB   SER  87          2HB       SER  87   0.610  -0.995 -11.995
  695   2HB   SER  87          1HB       SER  87  -0.072  -0.054 -13.321
  696    HG   SER  87           HG       SER  87   2.065  -1.722 -13.312
  697    H    HIS  88           H        HIS  88   2.477   2.066 -10.146
  698    HA   HIS  88           HA       HIS  88   0.087   1.690  -8.478
  699   1HB   HIS  88          2HB       HIS  88   1.986   0.460  -7.611
  700   2HB   HIS  88          1HB       HIS  88   3.000   1.897  -7.684
  701    HD1  HIS  88           HD1      HIS  88   1.504  -0.046  -5.260
  702    HD2  HIS  88           HD2      HIS  88   1.437   4.039  -5.997
  703    HE1  HIS  88           HE1      HIS  88   0.851   1.022  -3.080
  704    HE2  HIS  88           HE2      HIS  88   0.961   3.496  -3.520
  705    H    GLY  89           H        GLY  89  -0.871   3.406  -7.576
  706   1HA   GLY  89          2HA       GLY  89  -0.599   5.945  -8.603
  707   2HA   GLY  89          1HA       GLY  89  -1.356   5.592  -7.061
  708    H    LEU  90           H        LEU  90   1.639   6.463  -8.654
  709    HA   LEU  90           HA       LEU  90   3.354   7.790  -7.966
  710   1HB   LEU  90          2HB       LEU  90   1.279   8.448  -6.141
  711   2HB   LEU  90          1HB       LEU  90   2.761   8.292  -5.219
  712    HG   LEU  90           HG       LEU  90   3.543   9.799  -7.383
  713   1HD1  LEU  90          1HD1      LEU  90   0.909  10.923  -6.494
  714   2HD1  LEU  90          2HD1      LEU  90   1.104   9.981  -7.971
  715   3HD1  LEU  90          3HD1      LEU  90   1.968  11.506  -7.775
  716   1HD2  LEU  90          1HD2      LEU  90   3.098  10.158  -4.538
  717   2HD2  LEU  90          2HD2      LEU  90   2.918  11.659  -5.447
  718   3HD2  LEU  90          3HD2      LEU  90   4.416  10.734  -5.559
  719    H    ARG  91           H        ARG  91   5.335   7.299  -7.229
  720    HA   ARG  91           HA       ARG  91   5.865   4.721  -6.311
  721   1HB   ARG  91          2HB       ARG  91   7.461   7.203  -6.662
  722   2HB   ARG  91          1HB       ARG  91   8.159   5.917  -5.692
  723   1HG   ARG  91          2HG       ARG  91   8.250   4.443  -7.475
  724   2HG   ARG  91          1HG       ARG  91   7.038   5.332  -8.398
  725   1HD   ARG  91          2HD       ARG  91   9.838   6.272  -7.787
  726   2HD   ARG  91          1HD       ARG  91   9.279   5.625  -9.329
  727    HE   ARG  91           HE       ARG  91   7.754   7.884  -8.453
  728   1HH1  ARG  91          2HH1      ARG  91  10.667   6.894 -10.098
  729   2HH1  ARG  91          1HH1      ARG  91  10.804   8.361 -11.005
  730   1HH2  ARG  91          1HH2      ARG  91   7.932   9.817  -9.646
  731   2HH2  ARG  91          2HH2      ARG  91   9.252  10.022 -10.749
  732    H    LEU  92           H        LEU  92   5.880   3.811  -4.413
  733    HA   LEU  92           HA       LEU  92   4.900   5.013  -2.090
  734   1HB   LEU  92          2HB       LEU  92   6.554   2.528  -2.339
  735   2HB   LEU  92          1HB       LEU  92   5.524   2.961  -0.981
  736    HG   LEU  92           HG       LEU  92   4.620   2.437  -3.797
  737   1HD1  LEU  92          1HD1      LEU  92   4.099   0.891  -1.268
  738   2HD1  LEU  92          2HD1      LEU  92   5.208   0.408  -2.550
  739   3HD1  LEU  92          3HD1      LEU  92   3.480   0.508  -2.872
  740   1HD2  LEU  92          1HD2      LEU  92   2.400   2.509  -2.151
  741   2HD2  LEU  92          2HD2      LEU  92   2.899   3.738  -3.317
  742   3HD2  LEU  92          3HD2      LEU  92   3.383   3.877  -1.630
  743    H    ALA  93           H        ALA  93   5.926   6.821  -1.495
  744    HA   ALA  93           HA       ALA  93   8.800   6.865  -1.101
  745   1HB   ALA  93          1HB       ALA  93   8.318   8.912  -1.868
  746   2HB   ALA  93          2HB       ALA  93   7.978   9.265  -0.173
  747   3HB   ALA  93          3HB       ALA  93   6.658   8.861  -1.273
  748    H    ALA  94           H        ALA  94   6.461   8.354   1.106
  749    HA   ALA  94           HA       ALA  94   7.986   7.224   3.338
  750   1HB   ALA  94          1HB       ALA  94   6.086   9.103   4.267
  751   2HB   ALA  94          2HB       ALA  94   6.836   9.774   2.819
  752   3HB   ALA  94          3HB       ALA  94   7.839   9.269   4.178
  753    HA   PRO  95           HA       PRO  95   4.523   4.906   4.855
  754   1HB   PRO  95          2HB       PRO  95   4.752   5.052   7.502
  755   2HB   PRO  95          1HB       PRO  95   6.052   4.364   6.524
  756   1HG   PRO  95          2HG       PRO  95   5.866   7.046   7.811
  757   2HG   PRO  95          1HG       PRO  95   7.276   5.994   7.603
  758   1HD   PRO  95          2HD       PRO  95   6.591   8.185   5.988
  759   2HD   PRO  95          1HD       PRO  95   7.776   6.925   5.595
  760    H    CYS  96           H        CYS  96   2.444   4.872   5.805
  761    HA   CYS  96           HA       CYS  96   0.982   7.281   5.605
  762   1HB   CYS  96          2HB       CYS  96   0.006   5.041   5.202
  763   2HB   CYS  96          1HB       CYS  96   0.167   4.676   6.915
  764    HG   CYS  96           HG       CYS  96  -1.567   7.118   6.370
  765    H    ARG  97           H        ARG  97  -0.187   8.403   7.275
  766    HA   ARG  97           HA       ARG  97   0.933   8.067   9.974
  767   1HB   ARG  97          2HB       ARG  97   1.071  10.405   8.207
  768   2HB   ARG  97          1HB       ARG  97   0.476  10.771   9.821
  769   1HG   ARG  97          2HG       ARG  97   2.770  11.087   9.986
  770   2HG   ARG  97          1HG       ARG  97   2.522   9.474  10.658
  771   1HD   ARG  97          2HD       ARG  97   2.904   8.856   8.064
  772   2HD   ARG  97          1HD       ARG  97   3.888  10.315   8.181
  773    HE   ARG  97           HE       ARG  97   4.452   7.751   9.329
  774   1HH1  ARG  97          2HH1      ARG  97   4.984  11.184   9.657
  775   2HH1  ARG  97          1HH1      ARG  97   6.464  10.998  10.535
  776   1HH2  ARG  97          1HH2      ARG  97   6.400   7.503  10.485
  777   2HH2  ARG  97          2HH2      ARG  97   7.270   8.909  11.004
  778    H    LYS  98           H        LYS  98  -0.417   8.575  11.690
  779    HA   LYS  98           HA       LYS  98  -2.912   9.827  11.519
  780   1HB   LYS  98          2HB       LYS  98  -3.223   7.589  10.190
  781   2HB   LYS  98          1HB       LYS  98  -3.315   6.871  11.792
  782   1HG   LYS  98          2HG       LYS  98  -5.532   7.312  11.033
  783   2HG   LYS  98          1HG       LYS  98  -5.158   8.451  12.328
  784   1HD   LYS  98          2HD       LYS  98  -4.342   9.839  10.131
  785   2HD   LYS  98          1HD       LYS  98  -5.712   8.934   9.485
  786   1HE   LYS  98          2HE       LYS  98  -6.049  10.296  12.103
  787   2HE   LYS  98          1HE       LYS  98  -6.009  11.296  10.652
  788   1HZ   LYS  98          1HZ       LYS  98  -7.951  10.420   9.881
  789   2HZ   LYS  98          2HZ       LYS  98  -8.240  10.291  11.542
  790   3HZ   LYS  98          3HZ       LYS  98  -7.743   8.934  10.663
  791    H    HIS  99           H        HIS  99  -4.160   9.638  13.521
  792    HA   HIS  99           HA       HIS  99  -2.625   9.824  15.806
  793   1HB   HIS  99          2HB       HIS  99  -4.780   9.536  17.055
  794   2HB   HIS  99          1HB       HIS  99  -4.847  10.734  15.767
  795    HD1  HIS  99           HD1      HIS  99  -6.707  10.483  14.140
  796    HD2  HIS  99           HD2      HIS  99  -5.981   6.971  16.238
  797    HE1  HIS  99           HE1      HIS  99  -8.530   8.897  13.445
  798    HE2  HIS  99           HE2      HIS  99  -8.016   6.748  14.656
  799    H    GLU 100           HN       GLU 100  -2.047   8.466  17.460
  800    HA   GLU 100           HA       GLU 100  -2.260   5.601  16.873
  801   1HB   GLU 100          2HB       GLU 100  -0.457   6.874  18.925
  802   2HB   GLU 100          1HB       GLU 100  -0.318   5.278  18.202
  803   1HG   GLU 100          2HG       GLU 100   0.222   6.292  16.051
  804   2HG   GLU 100          1HG       GLU 100   0.071   7.896  16.768
  Start of MODEL   16
    1   1H    SER   1          1H        SER   1  12.799   4.045   5.468
    2   2H    SER   1          2H        SER   1  12.924   5.737   5.213
    3   3H    SER   1          3H        SER   1  12.646   4.685   3.886
    4    HA   SER   1           HA       SER   1  10.836   5.459   6.052
    5   1HB   SER   1          2HB       SER   1  11.102   5.837   3.126
    6   2HB   SER   1          1HB       SER   1   9.466   5.538   3.710
    7    HG   SER   1           HG       SER   1   9.899   7.749   3.748
    8    H    GLU   2           H        GLU   2   8.525   4.504   5.163
    9    HA   GLU   2           HA       GLU   2   8.536   1.832   4.250
   10   1HB   GLU   2          2HB       GLU   2   9.029   2.218   7.072
   11   2HB   GLU   2          1HB       GLU   2   7.531   1.331   6.821
   12   1HG   GLU   2          2HG       GLU   2   8.643  -0.520   6.354
   13   2HG   GLU   2          1HG       GLU   2   9.566   0.296   5.094
   14    HA   PRO   3           HA       PRO   3   4.180   2.654   4.022
   15   1HB   PRO   3          2HB       PRO   3   3.077   0.220   4.136
   16   2HB   PRO   3          1HB       PRO   3   4.170   0.647   2.828
   17   1HG   PRO   3          2HG       PRO   3   4.687  -0.997   5.253
   18   2HG   PRO   3          1HG       PRO   3   5.262  -1.232   3.594
   19   1HD   PRO   3          2HD       PRO   3   6.735  -0.087   5.649
   20   2HD   PRO   3          1HD       PRO   3   7.069   0.113   3.919
   21    H    TRP   4           H        TRP   4   4.869   0.354   6.652
   22    HA   TRP   4           HA       TRP   4   4.230   0.470   8.876
   23   1HB   TRP   4          2HB       TRP   4   3.485   2.946   8.302
   24   2HB   TRP   4          1HB       TRP   4   1.878   2.226   8.283
   25    HD1  TRP   4           HD1      TRP   4   2.153   0.252  10.738
   26    HE1  TRP   4           HE1      TRP   4   2.305   1.194  13.128
   27    HE3  TRP   4           HE3      TRP   4   3.736   4.988   9.642
   28    HZ2  TRP   4           HZ2      TRP   4   3.005   3.625  14.383
   29    HZ3  TRP   4           HZ3      TRP   4   4.123   6.559  11.495
   30    HH2  TRP   4           HH2      TRP   4   3.765   5.891  13.815
   31    H    PHE   5           H        PHE   5   3.747  -1.686   8.438
   32    HA   PHE   5           HA       PHE   5   1.438  -2.620   7.172
   33   1HB   PHE   5          2HB       PHE   5   2.922  -4.075   9.362
   34   2HB   PHE   5          1HB       PHE   5   2.001  -4.777   8.034
   35    HD1  PHE   5           HD1      PHE   5   5.181  -3.429   9.092
   36    HD2  PHE   5           HD2      PHE   5   2.886  -4.656   5.727
   37    HE1  PHE   5           HE1      PHE   5   7.234  -3.547   7.741
   38    HE2  PHE   5           HE2      PHE   5   4.932  -4.776   4.369
   39    HZ   PHE   5           HZ       PHE   5   7.112  -4.222   5.375
   40    H    PHE   6           H        PHE   6  -0.595  -2.463   7.737
   41    HA   PHE   6           HA       PHE   6  -1.323  -2.695  10.573
   42   1HB   PHE   6          2HB       PHE   6  -1.493  -0.309   9.114
   43   2HB   PHE   6          1HB       PHE   6  -3.137  -0.940   9.137
   44    HD1  PHE   6           HD1      PHE   6  -3.323  -2.208  11.740
   45    HD2  PHE   6           HD2      PHE   6  -1.425   1.433  10.622
   46    HE1  PHE   6           HE1      PHE   6  -3.619  -1.356  14.029
   47    HE2  PHE   6           HE2      PHE   6  -1.717   2.292  12.909
   48    HZ   PHE   6           HZ       PHE   6  -2.815   0.896  14.616
   49    H    GLY   7           H        GLY   7  -2.122  -4.748  10.395
   50   1HA   GLY   7          2HA       GLY   7  -3.857  -5.453   8.192
   51   2HA   GLY   7          1HA       GLY   7  -3.317  -6.517   9.480
   52    H    CYS   8           H        CYS   8  -4.681  -3.440  10.317
   53    HA   CYS   8           HA       CYS   8  -7.214  -4.758  10.884
   54   1HB   CYS   8          2HB       CYS   8  -5.359  -3.495  12.811
   55   2HB   CYS   8          1HB       CYS   8  -7.068  -3.143  13.037
   56    HG   CYS   8           HG       CYS   8  -5.930  -6.039  13.119
   57    H    ILE   9           H        ILE   9  -5.960  -2.477   9.085
   58    HA   ILE   9           HA       ILE   9  -7.928  -0.398   9.724
   59    HB   ILE   9           HB       ILE   9  -6.730   0.964   8.004
   60   1HG1  ILE   9          2HG1      ILE   9  -4.764  -1.332   8.090
   61   2HG1  ILE   9          1HG1      ILE   9  -5.729  -0.842   6.704
   62   1HG2  ILE   9          1HG2      ILE   9  -6.231   0.802  10.566
   63   2HG2  ILE   9          2HG2      ILE   9  -5.177   1.735   9.502
   64   3HG2  ILE   9          3HG2      ILE   9  -4.704   0.115  10.013
   65   1HD1  ILE   9          1HD1      ILE   9  -4.564   1.371   6.819
   66   2HD1  ILE   9          2HD1      ILE   9  -3.556  -0.002   6.363
   67   3HD1  ILE   9          3HD1      ILE   9  -3.475   0.648   8.001
   68    H    SER  10           H        SER  10  -9.665  -0.035   8.487
   69    HA   SER  10           HA       SER  10 -10.163  -1.842   6.268
   70   1HB   SER  10          2HB       SER  10 -11.819  -0.131   8.037
   71   2HB   SER  10          1HB       SER  10 -12.418  -0.371   6.396
   72    HG   SER  10           HG       SER  10 -12.041  -2.690   6.851
   73    H    ARG  11           H        ARG  11 -11.333  -0.885   4.324
   74    HA   ARG  11           HA       ARG  11  -9.612   0.889   3.008
   75   1HB   ARG  11          2HB       ARG  11 -11.204  -0.807   1.969
   76   2HB   ARG  11          1HB       ARG  11 -12.471   0.387   2.211
   77   1HG   ARG  11          2HG       ARG  11 -11.913   1.405   0.329
   78   2HG   ARG  11          1HG       ARG  11 -10.267   1.647   0.917
   79   1HD   ARG  11          2HD       ARG  11  -9.659   0.312  -0.773
   80   2HD   ARG  11          1HD       ARG  11 -10.257  -1.003   0.236
   81    HE   ARG  11           HE       ARG  11 -12.046  -1.241  -1.181
   82   1HH1  ARG  11          2HH1      ARG  11 -10.426   1.771  -1.880
   83   2HH1  ARG  11          1HH1      ARG  11 -11.321   2.059  -3.334
   84   1HH2  ARG  11          1HH2      ARG  11 -13.224  -0.862  -3.094
   85   2HH2  ARG  11          2HH2      ARG  11 -12.910   0.566  -4.022
   86    H    SER  12           H        SER  12 -12.193   1.467   5.138
   87    HA   SER  12           HA       SER  12 -12.922   4.062   4.205
   88   1HB   SER  12          2HB       SER  12 -13.320   2.897   6.970
   89   2HB   SER  12          1HB       SER  12 -14.198   4.250   6.256
   90    HG   SER  12           HG       SER  12 -14.214   1.581   5.286
   91    H    GLU  13           H        GLU  13 -10.782   2.865   6.774
   92    HA   GLU  13           HA       GLU  13 -10.062   5.464   7.694
   93   1HB   GLU  13          2HB       GLU  13  -8.317   3.052   8.060
   94   2HB   GLU  13          1HB       GLU  13  -8.557   4.416   9.142
   95   1HG   GLU  13          2HG       GLU  13 -10.449   2.143   8.600
   96   2HG   GLU  13          1HG       GLU  13  -9.626   2.532  10.110
   97    H    ALA  14           H        ALA  14  -8.414   3.077   5.633
   98    HA   ALA  14           HA       ALA  14  -6.058   4.470   5.214
   99   1HB   ALA  14          1HB       ALA  14  -7.528   2.588   3.379
  100   2HB   ALA  14          2HB       ALA  14  -6.252   2.188   4.530
  101   3HB   ALA  14          3HB       ALA  14  -5.882   3.158   3.104
  102    H    VAL  15           H        VAL  15  -9.203   4.888   3.722
  103    HA   VAL  15           HA       VAL  15  -8.346   6.557   1.592
  104    HB   VAL  15           HB       VAL  15 -11.034   6.327   2.941
  105   1HG1  VAL  15          1HG1      VAL  15 -11.035   8.493   1.998
  106   2HG1  VAL  15          2HG1      VAL  15 -11.874   7.461   0.840
  107   3HG1  VAL  15          3HG1      VAL  15 -10.203   7.941   0.545
  108   1HG2  VAL  15          1HG2      VAL  15 -10.558   5.460   0.155
  109   2HG2  VAL  15          2HG2      VAL  15 -11.582   4.753   1.405
  110   3HG2  VAL  15          3HG2      VAL  15  -9.840   4.481   1.434
  111    H    ARG  16           H        ARG  16  -9.652   7.291   4.826
  112    HA   ARG  16           HA       ARG  16  -9.184  10.121   4.456
  113   1HB   ARG  16          2HB       ARG  16 -10.271   8.465   6.716
  114   2HB   ARG  16          1HB       ARG  16  -9.892  10.167   6.934
  115   1HG   ARG  16          2HG       ARG  16 -11.903  10.666   6.167
  116   2HG   ARG  16          1HG       ARG  16 -11.430  10.018   4.595
  117   1HD   ARG  16          2HD       ARG  16 -13.507   9.004   5.451
  118   2HD   ARG  16          1HD       ARG  16 -12.218   7.821   5.223
  119    HE   ARG  16           HE       ARG  16 -12.277   7.397   7.464
  120   1HH1  ARG  16          2HH1      ARG  16 -13.819  10.475   6.885
  121   2HH1  ARG  16          1HH1      ARG  16 -14.353  10.656   8.521
  122   1HH2  ARG  16          1HH2      ARG  16 -12.979   7.634   9.617
  123   2HH2  ARG  16          2HH2      ARG  16 -13.874   9.045  10.074
  124    H    ARG  17           H        ARG  17  -7.433   7.451   5.535
  125    HA   ARG  17           HA       ARG  17  -5.699   8.841   7.356
  126   1HB   ARG  17          2HB       ARG  17  -6.254   6.401   7.533
  127   2HB   ARG  17          1HB       ARG  17  -5.315   6.125   6.072
  128   1HG   ARG  17          2HG       ARG  17  -3.311   6.490   7.131
  129   2HG   ARG  17          1HG       ARG  17  -4.032   7.508   8.379
  130   1HD   ARG  17          2HD       ARG  17  -5.261   5.045   8.713
  131   2HD   ARG  17          1HD       ARG  17  -3.588   4.639   8.343
  132    HE   ARG  17           HE       ARG  17  -4.583   5.967  10.711
  133   1HH1  ARG  17          2HH1      ARG  17  -1.788   5.232   8.752
  134   2HH1  ARG  17          1HH1      ARG  17  -0.665   5.467  10.047
  135   1HH2  ARG  17          1HH2      ARG  17  -3.107   6.277  12.412
  136   2HH2  ARG  17          2HH2      ARG  17  -1.413   6.066  12.124
  137    H    LEU  18           H        LEU  18  -5.361   7.460   4.086
  138    HA   LEU  18           HA       LEU  18  -2.747   8.407   3.606
  139   1HB   LEU  18          2HB       LEU  18  -4.991   7.465   1.900
  140   2HB   LEU  18          1HB       LEU  18  -3.614   8.237   1.141
  141    HG   LEU  18           HG       LEU  18  -3.414   5.818   1.095
  142   1HD1  LEU  18          1HD1      LEU  18  -1.278   6.439   1.090
  143   2HD1  LEU  18          2HD1      LEU  18  -1.243   5.866   2.747
  144   3HD1  LEU  18          3HD1      LEU  18  -1.491   7.579   2.407
  145   1HD2  LEU  18          1HD2      LEU  18  -2.915   4.713   3.347
  146   2HD2  LEU  18          2HD2      LEU  18  -4.594   5.027   2.932
  147   3HD2  LEU  18          3HD2      LEU  18  -3.749   6.090   4.055
  148    H    GLN  19           H        GLN  19  -5.906   9.723   3.078
  149    HA   GLN  19           HA       GLN  19  -5.083  12.031   1.624
  150   1HB   GLN  19          2HB       GLN  19  -7.478  10.787   2.063
  151   2HB   GLN  19          1HB       GLN  19  -7.636  12.224   3.061
  152   1HG   GLN  19          2HG       GLN  19  -6.623  12.609   0.313
  153   2HG   GLN  19          1HG       GLN  19  -8.315  12.149   0.488
  154   1HE2  GLN  19          1HE2      GLN  19  -6.739  14.693  -0.221
  155   2HE2  GLN  19          2HE2      GLN  19  -7.522  15.916   0.714
  156    H    ALA  20           H        ALA  20  -5.244  11.285   5.002
  157    HA   ALA  20           HA       ALA  20  -5.711  13.657   6.262
  158   1HB   ALA  20          1HB       ALA  20  -3.953  12.905   7.941
  159   2HB   ALA  20          2HB       ALA  20  -3.682  11.525   6.876
  160   3HB   ALA  20          3HB       ALA  20  -5.268  11.778   7.606
  161    H    GLU  21           H        GLU  21  -4.060  15.187   7.297
  162    HA   GLU  21           HA       GLU  21  -2.399  16.190   5.160
  163   1HB   GLU  21          2HB       GLU  21  -2.043  18.154   6.710
  164   2HB   GLU  21          1HB       GLU  21  -3.704  17.876   6.209
  165   1HG   GLU  21          2HG       GLU  21  -4.253  16.901   8.313
  166   2HG   GLU  21          1HG       GLU  21  -2.562  16.894   8.811
  167    H    GLY  22           H        GLY  22  -1.814  13.865   6.953
  168   1HA   GLY  22          2HA       GLY  22   0.822  14.640   7.975
  169   2HA   GLY  22          1HA       GLY  22  -0.012  13.131   8.327
  170    H    ASN  23           H        ASN  23  -0.581  13.419   5.205
  171    HA   ASN  23           HA       ASN  23   1.846  11.951   4.421
  172   1HB   ASN  23          2HB       ASN  23  -1.001  11.736   3.448
  173   2HB   ASN  23          1HB       ASN  23   0.358  10.877   2.730
  174   1HD2  ASN  23          1HD2      ASN  23  -2.165  10.286   4.489
  175   2HD2  ASN  23          2HD2      ASN  23  -1.564   9.126   5.616
  176    H    ALA  24           H        ALA  24   3.111  12.834   2.967
  177    HA   ALA  24           HA       ALA  24   2.022  14.976   1.285
  178   1HB   ALA  24          1HB       ALA  24   3.944  15.479   2.867
  179   2HB   ALA  24          2HB       ALA  24   4.169  15.946   1.182
  180   3HB   ALA  24          3HB       ALA  24   4.941  14.488   1.805
  181    H    THR  25           H        THR  25   1.177  13.004   0.128
  182    HA   THR  25           HA       THR  25   1.138  11.623  -1.622
  183    HB   THR  25           HB       THR  25   2.333  12.336  -3.619
  184    HG1  THR  25           HG1      THR  25   4.317  12.839  -2.364
  185   1HG2  THR  25          1HG2      THR  25   1.636  14.648  -3.764
  186   2HG2  THR  25          2HG2      THR  25   1.468  14.726  -2.010
  187   3HG2  THR  25          3HG2      THR  25   0.406  13.680  -2.952
  188    H    GLY  26           H        GLY  26   1.882   9.680  -2.271
  189   1HA   GLY  26          2HA       GLY  26   3.440   7.944  -2.571
  190   2HA   GLY  26          1HA       GLY  26   4.661   8.928  -1.771
  191    H    ALA  27           H        ALA  27   2.590   9.509   0.388
  192    HA   ALA  27           HA       ALA  27   3.421   7.756   2.328
  193   1HB   ALA  27          1HB       ALA  27   1.474   8.460   3.611
  194   2HB   ALA  27          2HB       ALA  27   0.707   9.071   2.147
  195   3HB   ALA  27          3HB       ALA  27   2.170   9.840   2.763
  196    H    PHE  28           H        PHE  28   3.080   5.602   2.626
  197    HA   PHE  28           HA       PHE  28   0.660   4.431   1.421
  198   1HB   PHE  28          2HB       PHE  28   2.118   2.477   0.777
  199   2HB   PHE  28          1HB       PHE  28   2.404   3.964  -0.116
  200    HD1  PHE  28           HD1      PHE  28   3.956   1.306   1.374
  201    HD2  PHE  28           HD2      PHE  28   4.283   5.525   1.099
  202    HE1  PHE  28           HE1      PHE  28   6.330   1.157   2.003
  203    HE2  PHE  28           HE2      PHE  28   6.654   5.388   1.712
  204    HZ   PHE  28           HZ       PHE  28   7.685   3.203   2.169
  205    H    LEU  29           H        LEU  29   0.315   2.200   2.223
  206    HA   LEU  29           HA       LEU  29   1.302   1.532   4.858
  207   1HB   LEU  29          2HB       LEU  29  -1.061   1.391   5.753
  208   2HB   LEU  29          1HB       LEU  29  -0.372   2.994   5.616
  209    HG   LEU  29           HG       LEU  29  -1.958   3.687   4.180
  210   1HD1  LEU  29          1HD1      LEU  29  -2.674   2.644   2.238
  211   2HD1  LEU  29          2HD1      LEU  29  -2.395   1.030   2.871
  212   3HD1  LEU  29          3HD1      LEU  29  -1.041   2.044   2.408
  213   1HD2  LEU  29          1HD2      LEU  29  -3.423   1.168   4.819
  214   2HD2  LEU  29          2HD2      LEU  29  -4.061   2.799   4.603
  215   3HD2  LEU  29          3HD2      LEU  29  -3.109   2.404   6.036
  216    H    ILE  30           H        ILE  30   0.930  -0.650   5.376
  217    HA   ILE  30           HA       ILE  30  -0.344  -2.144   3.176
  218    HB   ILE  30           HB       ILE  30   1.822  -3.180   4.988
  219   1HG1  ILE  30          2HG1      ILE  30   2.189  -1.156   3.197
  220   2HG1  ILE  30          1HG1      ILE  30   3.432  -2.322   3.626
  221   1HG2  ILE  30          1HG2      ILE  30   2.005  -4.691   2.860
  222   2HG2  ILE  30          2HG2      ILE  30   0.321  -4.214   2.640
  223   3HG2  ILE  30          3HG2      ILE  30   0.823  -5.037   4.116
  224   1HD1  ILE  30          1HD1      ILE  30   3.262  -3.422   1.628
  225   2HD1  ILE  30          2HD1      ILE  30   2.902  -1.770   1.137
  226   3HD1  ILE  30          3HD1      ILE  30   1.589  -2.925   1.369
  227    H    ARG  31           H        ARG  31  -2.263  -2.856   3.747
  228    HA   ARG  31           HA       ARG  31  -2.634  -3.845   6.493
  229   1HB   ARG  31          2HB       ARG  31  -4.981  -3.252   6.306
  230   2HB   ARG  31          1HB       ARG  31  -3.990  -1.848   5.941
  231   1HG   ARG  31          2HG       ARG  31  -4.292  -2.581   3.488
  232   2HG   ARG  31          1HG       ARG  31  -5.646  -3.518   4.122
  233   1HD   ARG  31          2HD       ARG  31  -6.522  -1.425   5.152
  234   2HD   ARG  31          1HD       ARG  31  -5.243  -0.536   4.329
  235    HE   ARG  31           HE       ARG  31  -7.669  -1.549   3.187
  236   1HH1  ARG  31          2HH1      ARG  31  -4.372  -0.637   2.503
  237   2HH1  ARG  31          1HH1      ARG  31  -4.683  -0.296   0.834
  238   1HH2  ARG  31          1HH2      ARG  31  -8.080  -1.097   0.998
  239   2HH2  ARG  31          2HH2      ARG  31  -6.788  -0.555  -0.018
  240    H    VAL  32           H        VAL  32  -4.712  -5.362   6.501
  241    HA   VAL  32           HA       VAL  32  -3.973  -7.553   4.755
  242    HB   VAL  32           HB       VAL  32  -5.616  -8.873   6.045
  243   1HG1  VAL  32          1HG1      VAL  32  -3.481  -7.323   7.457
  244   2HG1  VAL  32          2HG1      VAL  32  -3.489  -9.014   6.955
  245   3HG1  VAL  32          3HG1      VAL  32  -4.462  -8.497   8.332
  246   1HG2  VAL  32          1HG2      VAL  32  -5.995  -6.493   7.831
  247   2HG2  VAL  32          2HG2      VAL  32  -6.922  -7.991   7.769
  248   3HG2  VAL  32          3HG2      VAL  32  -7.076  -6.806   6.473
  249    H    SER  33           H        SER  33  -5.722  -8.879   3.769
  250    HA   SER  33           HA       SER  33  -7.050  -7.405   1.806
  251   1HB   SER  33          2HB       SER  33  -8.338  -9.666   1.525
  252   2HB   SER  33          1HB       SER  33  -6.606  -9.607   1.199
  253    HG   SER  33           HG       SER  33  -7.748 -10.381   3.679
  254    H    GLU  34           H        GLU  34  -8.255  -5.797   2.978
  255    HA   GLU  34           HA       GLU  34 -10.339  -6.443   4.773
  256   1HB   GLU  34          2HB       GLU  34 -10.039  -4.012   3.003
  257   2HB   GLU  34          1HB       GLU  34 -11.136  -4.148   4.370
  258   1HG   GLU  34          2HG       GLU  34  -8.132  -4.260   4.501
  259   2HG   GLU  34          1HG       GLU  34  -9.139  -2.885   4.946
  260    H    LYS  35           H        LYS  35 -10.024  -6.743   1.437
  261    HA   LYS  35           HA       LYS  35 -12.871  -7.386   1.169
  262   1HB   LYS  35          2HB       LYS  35 -11.452  -6.371  -1.245
  263   2HB   LYS  35          1HB       LYS  35 -13.141  -6.237  -0.797
  264   1HG   LYS  35          2HG       LYS  35 -12.696  -4.113  -0.326
  265   2HG   LYS  35          1HG       LYS  35 -11.882  -4.717   1.116
  266   1HD   LYS  35          2HD       LYS  35 -10.285  -3.339   0.127
  267   2HD   LYS  35          1HD       LYS  35  -9.820  -4.953  -0.413
  268   1HE   LYS  35          2HE       LYS  35 -10.580  -4.591  -2.571
  269   2HE   LYS  35          1HE       LYS  35 -11.660  -3.288  -2.078
  270   1HZ   LYS  35          1HZ       LYS  35  -9.374  -2.181  -1.438
  271   2HZ   LYS  35          2HZ       LYS  35  -9.999  -2.078  -3.006
  272   3HZ   LYS  35          3HZ       LYS  35  -8.796  -3.212  -2.649
  273    HA   PRO  36           HA       PRO  36 -10.351 -10.113  -2.066
  274   1HB   PRO  36          2HB       PRO  36  -7.641 -10.163  -1.365
  275   2HB   PRO  36          1HB       PRO  36  -8.334  -9.326  -2.756
  276   1HG   PRO  36          2HG       PRO  36  -7.575  -8.254  -0.083
  277   2HG   PRO  36          1HG       PRO  36  -7.441  -7.497  -1.678
  278   1HD   PRO  36          2HD       PRO  36  -9.362  -6.789   0.026
  279   2HD   PRO  36          1HD       PRO  36  -9.675  -6.887  -1.716
  280    H    SER  37           H        SER  37  -8.755 -12.120  -1.538
  281    HA   SER  37           HA       SER  37  -9.380 -12.976   1.214
  282   1HB   SER  37          2HB       SER  37 -10.615 -14.027  -0.908
  283   2HB   SER  37          1HB       SER  37  -9.160 -15.023  -0.939
  284    HG   SER  37           HG       SER  37  -9.796 -16.009   0.816
  285    H    ALA  38           H        ALA  38  -7.753 -13.798   2.392
  286    HA   ALA  38           HA       ALA  38  -5.580 -14.169   3.014
  287   1HB   ALA  38          1HB       ALA  38  -6.491 -16.279   1.634
  288   2HB   ALA  38          2HB       ALA  38  -4.885 -16.218   2.362
  289   3HB   ALA  38          3HB       ALA  38  -5.089 -15.864   0.646
  290    H    ASP  39           H        ASP  39  -5.432 -11.793   2.081
  291    HA   ASP  39           HA       ASP  39  -2.924 -11.699   0.644
  292   1HB   ASP  39          2HB       ASP  39  -5.505 -10.679  -0.515
  293   2HB   ASP  39          1HB       ASP  39  -3.971  -9.943  -0.959
  294    H    TYR  40           H        TYR  40  -2.846  -9.001   0.052
  295    HA   TYR  40           HA       TYR  40  -3.559  -7.567   2.501
  296   1HB   TYR  40          2HB       TYR  40  -0.796  -8.237   1.623
  297   2HB   TYR  40          1HB       TYR  40  -1.057  -6.540   2.018
  298    HD1  TYR  40           HD1      TYR  40  -1.840  -9.910   3.423
  299    HD2  TYR  40           HD2      TYR  40  -0.714  -5.888   4.207
  300    HE1  TYR  40           HE1      TYR  40  -1.606 -10.451   5.811
  301    HE2  TYR  40           HE2      TYR  40  -0.470  -6.414   6.598
  302    HH   TYR  40           HH       TYR  40  -1.397  -8.134   8.206
  303    H    VAL  41           H        VAL  41  -3.811  -5.365   2.178
  304    HA   VAL  41           HA       VAL  41  -3.739  -4.609  -0.671
  305    HB   VAL  41           HB       VAL  41  -5.595  -2.923   0.080
  306   1HG1  VAL  41          1HG1      VAL  41  -5.727  -5.778  -0.723
  307   2HG1  VAL  41          2HG1      VAL  41  -6.287  -4.334  -1.566
  308   3HG1  VAL  41          3HG1      VAL  41  -7.238  -5.008  -0.243
  309   1HG2  VAL  41          1HG2      VAL  41  -6.596  -5.059   1.835
  310   2HG2  VAL  41          2HG2      VAL  41  -6.671  -3.310   2.028
  311   3HG2  VAL  41          3HG2      VAL  41  -5.212  -4.185   2.482
  312    H    LEU  42           H        LEU  42  -2.758  -2.816  -1.221
  313    HA   LEU  42           HA       LEU  42  -1.569  -1.236   0.940
  314   1HB   LEU  42          2HB       LEU  42  -0.014  -2.387  -0.571
  315   2HB   LEU  42          1HB       LEU  42  -0.727  -1.548  -1.936
  316    HG   LEU  42           HG       LEU  42   0.022   0.599  -1.024
  317   1HD1  LEU  42          1HD1      LEU  42   1.906  -0.082   0.879
  318   2HD1  LEU  42          2HD1      LEU  42   0.504  -1.061   1.309
  319   3HD1  LEU  42          3HD1      LEU  42   0.351   0.690   1.167
  320   1HD2  LEU  42          1HD2      LEU  42   2.341  -1.308  -1.034
  321   2HD2  LEU  42          2HD2      LEU  42   2.272   0.353  -1.624
  322   3HD2  LEU  42          3HD2      LEU  42   1.436  -0.929  -2.500
  323    H    SER  43           H        SER  43  -1.624   1.003   0.842
  324    HA   SER  43           HA       SER  43  -3.105   2.203  -1.345
  325   1HB   SER  43          2HB       SER  43  -4.972   2.672  -0.313
  326   2HB   SER  43          1HB       SER  43  -4.440   1.633   1.006
  327    HG   SER  43           HG       SER  43  -4.761   4.307   0.962
  328    H    VAL  44           H        VAL  44  -2.555   4.140  -1.911
  329    HA   VAL  44           HA       VAL  44  -0.680   5.582  -0.157
  330    HB   VAL  44           HB       VAL  44   0.479   4.285  -1.958
  331   1HG1  VAL  44          1HG1      VAL  44  -0.549   6.414  -3.810
  332   2HG1  VAL  44          2HG1      VAL  44  -1.278   4.814  -3.694
  333   3HG1  VAL  44          3HG1      VAL  44   0.400   4.984  -4.210
  334   1HG2  VAL  44          1HG2      VAL  44   0.800   7.118  -1.293
  335   2HG2  VAL  44          2HG2      VAL  44   1.646   6.596  -2.751
  336   3HG2  VAL  44          3HG2      VAL  44   1.953   5.788  -1.215
  337    H    ARG  45           H        ARG  45  -0.895   7.728  -0.021
  338    HA   ARG  45           HA       ARG  45  -3.234   8.980  -0.963
  339   1HB   ARG  45          2HB       ARG  45  -1.887   9.730   1.027
  340   2HB   ARG  45          1HB       ARG  45  -0.670  10.327  -0.091
  341   1HG   ARG  45          2HG       ARG  45  -2.544  11.733  -1.106
  342   2HG   ARG  45          1HG       ARG  45  -3.455  11.341   0.353
  343   1HD   ARG  45          2HD       ARG  45  -1.747  12.335   1.736
  344   2HD   ARG  45          1HD       ARG  45  -0.722  12.610   0.330
  345    HE   ARG  45           HE       ARG  45  -2.933  14.216   1.203
  346   1HH1  ARG  45          2HH1      ARG  45  -1.014  13.275  -1.556
  347   2HH1  ARG  45          1HH1      ARG  45  -1.365  14.716  -2.449
  348   1HH2  ARG  45          1HH2      ARG  45  -3.396  16.111   0.031
  349   2HH2  ARG  45          2HH2      ARG  45  -2.715  16.328  -1.547
  350    H    ASP  46           H        ASP  46  -0.289   8.210  -2.410
  351    HA   ASP  46           HA       ASP  46   0.724   8.829  -4.382
  352   1HB   ASP  46          2HB       ASP  46  -2.011   8.262  -4.846
  353   2HB   ASP  46          1HB       ASP  46  -1.625   9.666  -5.834
  354    H    THR  47           H        THR  47  -0.134  10.811  -6.311
  355    HA   THR  47           HA       THR  47   0.850  13.141  -4.963
  356    HB   THR  47           HB       THR  47   1.523  12.839  -7.238
  357    HG1  THR  47           HG1      THR  47   1.363  14.907  -7.424
  358   1HG2  THR  47          1HG2      THR  47  -1.203  12.056  -7.673
  359   2HG2  THR  47          2HG2      THR  47   0.214  11.824  -8.698
  360   3HG2  THR  47          3HG2      THR  47  -0.723  13.314  -8.813
  361    H    GLN  48           H        GLN  48  -2.152  11.772  -5.010
  362    HA   GLN  48           HA       GLN  48  -3.470  13.779  -3.676
  363   1HB   GLN  48          2HB       GLN  48  -3.493  14.154  -6.592
  364   2HB   GLN  48          1HB       GLN  48  -5.088  14.185  -5.853
  365   1HG   GLN  48          2HG       GLN  48  -3.566  15.773  -4.185
  366   2HG   GLN  48          1HG       GLN  48  -2.971  16.163  -5.799
  367   1HE2  GLN  48          1HE2      GLN  48  -5.292  16.821  -3.511
  368   2HE2  GLN  48          2HE2      GLN  48  -6.428  17.657  -4.508
  369    H    ALA  49           H        ALA  49  -5.505  13.111  -2.994
  370    HA   ALA  49           HA       ALA  49  -7.172  11.628  -2.526
  371   1HB   ALA  49          1HB       ALA  49  -7.685  10.109  -4.707
  372   2HB   ALA  49          2HB       ALA  49  -6.869  11.484  -5.449
  373   3HB   ALA  49          3HB       ALA  49  -8.311  11.740  -4.469
  374    H    VAL  50           H        VAL  50  -7.623   9.288  -2.197
  375    HA   VAL  50           HA       VAL  50  -5.116   7.904  -1.730
  376    HB   VAL  50           HB       VAL  50  -7.921   7.083  -0.955
  377   1HG1  VAL  50          1HG1      VAL  50  -5.228   5.916  -0.248
  378   2HG1  VAL  50          2HG1      VAL  50  -6.532   5.129  -1.137
  379   3HG1  VAL  50          3HG1      VAL  50  -6.735   5.510   0.574
  380   1HG2  VAL  50          1HG2      VAL  50  -7.534   8.907   0.376
  381   2HG2  VAL  50          2HG2      VAL  50  -5.786   8.678   0.370
  382   3HG2  VAL  50          3HG2      VAL  50  -6.808   7.637   1.358
  383    H    ARG  51           H        ARG  51  -4.410   6.135  -2.689
  384    HA   ARG  51           HA       ARG  51  -6.084   4.902  -4.773
  385   1HB   ARG  51          2HB       ARG  51  -3.084   5.299  -4.832
  386   2HB   ARG  51          1HB       ARG  51  -4.048   4.528  -6.085
  387   1HG   ARG  51          2HG       ARG  51  -5.301   6.874  -6.003
  388   2HG   ARG  51          1HG       ARG  51  -3.714   7.394  -5.433
  389   1HD   ARG  51          2HD       ARG  51  -3.044   7.456  -7.549
  390   2HD   ARG  51          1HD       ARG  51  -3.217   5.703  -7.607
  391    HE   ARG  51           HE       ARG  51  -5.733   6.660  -8.071
  392   1HH1  ARG  51          2HH1      ARG  51  -2.610   7.129  -9.555
  393   2HH1  ARG  51          1HH1      ARG  51  -3.263   7.420 -11.132
  394   1HH2  ARG  51          1HH2      ARG  51  -6.595   7.042 -10.145
  395   2HH2  ARG  51          2HH2      ARG  51  -5.525   7.369 -11.468
  396    H    HIS  52           H        HIS  52  -6.678   2.982  -3.964
  397    HA   HIS  52           HA       HIS  52  -4.887   1.578  -2.153
  398   1HB   HIS  52          2HB       HIS  52  -7.712   0.914  -3.044
  399   2HB   HIS  52          1HB       HIS  52  -6.812   0.080  -1.775
  400    HD1  HIS  52           HD1      HIS  52  -6.342   1.403   0.400
  401    HD2  HIS  52           HD2      HIS  52  -8.807   3.362  -2.301
  402    HE1  HIS  52           HE1      HIS  52  -7.168   3.428   1.601
  403    HE2  HIS  52           HE2      HIS  52  -8.578   4.661  -0.076
  404    H    TYR  53           H        TYR  53  -4.642  -0.838  -2.429
  405    HA   TYR  53           HA       TYR  53  -4.791  -1.802  -5.160
  406   1HB   TYR  53          2HB       TYR  53  -2.083  -1.755  -3.858
  407   2HB   TYR  53          1HB       TYR  53  -2.485  -2.061  -5.543
  408    HD1  TYR  53           HD1      TYR  53  -3.146  -0.189  -7.005
  409    HD2  TYR  53           HD2      TYR  53  -1.769   0.486  -3.038
  410    HE1  TYR  53           HE1      TYR  53  -2.715   2.162  -7.568
  411    HE2  TYR  53           HE2      TYR  53  -1.336   2.842  -3.591
  412    HH   TYR  53           HH       TYR  53  -0.815   4.143  -5.828
  413    H    LYS  54           H        LYS  54  -4.972  -3.953  -5.265
  414    HA   LYS  54           HA       LYS  54  -5.030  -5.460  -2.797
  415   1HB   LYS  54          2HB       LYS  54  -6.734  -5.644  -4.716
  416   2HB   LYS  54          1HB       LYS  54  -5.493  -6.555  -5.567
  417   1HG   LYS  54          2HG       LYS  54  -5.856  -7.568  -2.895
  418   2HG   LYS  54          1HG       LYS  54  -7.385  -7.538  -3.776
  419   1HD   LYS  54          2HD       LYS  54  -4.823  -8.766  -4.796
  420   2HD   LYS  54          1HD       LYS  54  -6.147  -9.664  -4.052
  421   1HE   LYS  54          2HE       LYS  54  -7.127  -7.965  -6.163
  422   2HE   LYS  54          1HE       LYS  54  -5.839  -9.011  -6.755
  423   1HZ   LYS  54          1HZ       LYS  54  -7.284 -10.742  -5.339
  424   2HZ   LYS  54          2HZ       LYS  54  -7.523 -10.458  -6.989
  425   3HZ   LYS  54          3HZ       LYS  54  -8.509  -9.692  -5.848
  426    H    ILE  55           H        ILE  55  -3.205  -6.300  -2.041
  427    HA   ILE  55           HA       ILE  55  -1.015  -6.951  -3.856
  428    HB   ILE  55           HB       ILE  55  -0.883  -7.397  -0.909
  429   1HG1  ILE  55          2HG1      ILE  55  -0.229  -4.667  -1.957
  430   2HG1  ILE  55          1HG1      ILE  55  -1.892  -5.038  -1.512
  431   1HG2  ILE  55          1HG2      ILE  55   1.339  -6.038  -2.124
  432   2HG2  ILE  55          2HG2      ILE  55   0.938  -7.521  -2.986
  433   3HG2  ILE  55          3HG2      ILE  55   1.292  -7.571  -1.259
  434   1HD1  ILE  55          1HD1      ILE  55  -1.443  -4.821   0.644
  435   2HD1  ILE  55          2HD1      ILE  55   0.114  -4.154   0.159
  436   3HD1  ILE  55          3HD1      ILE  55  -0.033  -5.871   0.529
  437    H    TRP  56           H        TRP  56  -1.516  -8.828  -4.858
  438    HA   TRP  56           HA       TRP  56  -2.787 -10.993  -3.444
  439   1HB   TRP  56          2HB       TRP  56  -3.056 -10.213  -5.936
  440   2HB   TRP  56          1HB       TRP  56  -1.678 -11.273  -6.205
  441    HD1  TRP  56           HD1      TRP  56  -2.700 -13.536  -4.048
  442    HE1  TRP  56           HE1      TRP  56  -4.611 -15.094  -4.781
  443    HE3  TRP  56           HE3      TRP  56  -4.656 -10.698  -7.824
  444    HZ2  TRP  56           HZ2      TRP  56  -6.676 -15.118  -6.707
  445    HZ3  TRP  56           HZ3      TRP  56  -6.600 -11.561  -9.063
  446    HH2  TRP  56           HH2      TRP  56  -7.587 -13.726  -8.515
  447    H    ARG  57           H        ARG  57  -1.869 -12.644  -2.503
  448    HA   ARG  57           HA       ARG  57   1.010 -12.929  -2.532
  449   1HB   ARG  57          2HB       ARG  57  -0.490 -13.096  -0.466
  450   2HB   ARG  57          1HB       ARG  57  -0.966 -14.676  -1.071
  451   1HG   ARG  57          2HG       ARG  57   1.177 -15.561  -0.782
  452   2HG   ARG  57          1HG       ARG  57   1.912 -13.963  -0.634
  453   1HD   ARG  57          2HD       ARG  57   0.348 -13.749   1.441
  454   2HD   ARG  57          1HD       ARG  57   0.309 -15.510   1.359
  455    HE   ARG  57           HE       ARG  57   2.940 -15.015   1.282
  456   1HH1  ARG  57          2HH1      ARG  57   0.429 -13.815   3.390
  457   2HH1  ARG  57          1HH1      ARG  57   1.492 -13.612   4.742
  458   1HH2  ARG  57          1HH2      ARG  57   4.334 -14.749   3.059
  459   2HH2  ARG  57          2HH2      ARG  57   3.708 -14.139   4.554
  460    H    ARG  58           H        ARG  58   2.127 -14.429  -3.630
  461    HA   ARG  58           HA       ARG  58   0.936 -15.943  -5.663
  462   1HB   ARG  58          2HB       ARG  58   3.644 -15.660  -4.534
  463   2HB   ARG  58          1HB       ARG  58   3.328 -17.155  -5.402
  464   1HG   ARG  58          2HG       ARG  58   2.305 -15.288  -7.109
  465   2HG   ARG  58          1HG       ARG  58   3.679 -14.435  -6.406
  466   1HD   ARG  58          2HD       ARG  58   4.375 -17.156  -7.083
  467   2HD   ARG  58          1HD       ARG  58   3.730 -16.297  -8.481
  468    HE   ARG  58           HE       ARG  58   5.739 -14.854  -6.994
  469   1HH1  ARG  58          2HH1      ARG  58   5.119 -17.075  -9.617
  470   2HH1  ARG  58          1HH1      ARG  58   6.602 -16.716 -10.435
  471   1HH2  ARG  58          1HH2      ARG  58   7.688 -14.383  -8.070
  472   2HH2  ARG  58          2HH2      ARG  58   8.059 -15.186  -9.558
  473    H    ALA  59           H        ALA  59   3.036 -17.660  -3.516
  474    HA   ALA  59           HA       ALA  59   0.854 -19.537  -2.899
  475   1HB   ALA  59          1HB       ALA  59   2.852 -20.141  -4.600
  476   2HB   ALA  59          2HB       ALA  59   2.028 -21.333  -3.595
  477   3HB   ALA  59          3HB       ALA  59   3.573 -20.659  -3.076
  478    H    GLY  60           H        GLY  60   1.870 -17.328  -1.303
  479   1HA   GLY  60          2HA       GLY  60   1.949 -17.204   1.051
  480   2HA   GLY  60          1HA       GLY  60   2.513 -18.867   1.097
  481    H    GLY  61           H        GLY  61   3.961 -16.542  -1.056
  482   1HA   GLY  61          2HA       GLY  61   6.021 -15.662   0.688
  483   2HA   GLY  61          1HA       GLY  61   6.571 -17.038  -0.255
  484    H    ARG  62           H        ARG  62   4.373 -14.461  -1.279
  485    HA   ARG  62           HA       ARG  62   6.221 -12.859  -2.619
  486   1HB   ARG  62          2HB       ARG  62   5.945 -15.290  -3.923
  487   2HB   ARG  62          1HB       ARG  62   4.885 -14.214  -4.824
  488   1HG   ARG  62          2HG       ARG  62   6.664 -13.498  -5.924
  489   2HG   ARG  62          1HG       ARG  62   7.226 -12.755  -4.427
  490   1HD   ARG  62          2HD       ARG  62   8.866 -14.288  -5.570
  491   2HD   ARG  62          1HD       ARG  62   8.542 -14.642  -3.874
  492    HE   ARG  62           HE       ARG  62   6.881 -16.125  -5.685
  493   1HH1  ARG  62          2HH1      ARG  62   9.980 -16.037  -4.081
  494   2HH1  ARG  62          1HH1      ARG  62  10.213 -17.751  -4.169
  495   1HH2  ARG  62          1HH2      ARG  62   7.186 -18.379  -5.800
  496   2HH2  ARG  62          2HH2      ARG  62   8.626 -19.082  -5.141
  497    H    LEU  63           H        LEU  63   5.241 -10.994  -2.999
  498    HA   LEU  63           HA       LEU  63   2.308 -10.979  -3.237
  499   1HB   LEU  63          2HB       LEU  63   4.234  -8.979  -2.082
  500   2HB   LEU  63          1HB       LEU  63   2.594  -8.540  -2.516
  501    HG   LEU  63           HG       LEU  63   2.886  -9.058  -0.105
  502   1HD1  LEU  63          1HD1      LEU  63   0.764  -9.464  -1.580
  503   2HD1  LEU  63          2HD1      LEU  63   0.815 -10.026   0.090
  504   3HD1  LEU  63          3HD1      LEU  63   1.100 -11.159  -1.230
  505   1HD2  LEU  63          1HD2      LEU  63   3.534 -11.109   0.686
  506   2HD2  LEU  63          2HD2      LEU  63   4.531 -10.990  -0.763
  507   3HD2  LEU  63          3HD2      LEU  63   3.053 -11.951  -0.788
  508    H    HIS  64           H        HIS  64   1.325  -9.641  -4.762
  509    HA   HIS  64           HA       HIS  64   2.947  -8.086  -6.557
  510   1HB   HIS  64          2HB       HIS  64   2.350  -9.286  -8.585
  511   2HB   HIS  64          1HB       HIS  64   3.199 -10.360  -7.481
  512    HD1  HIS  64           HD1      HIS  64  -0.034  -9.892  -9.220
  513    HD2  HIS  64           HD2      HIS  64   1.578 -12.386  -6.316
  514    HE1  HIS  64           HE1      HIS  64  -1.641 -11.815  -9.020
  515    HE2  HIS  64           HE2      HIS  64  -0.689 -13.267  -7.193
  516    H    LEU  65           H        LEU  65   1.741  -6.277  -6.243
  517    HA   LEU  65           HA       LEU  65  -1.002  -6.144  -5.878
  518   1HB   LEU  65          2HB       LEU  65   0.993  -4.187  -6.970
  519   2HB   LEU  65          1HB       LEU  65  -0.711  -3.780  -6.942
  520    HG   LEU  65           HG       LEU  65  -0.782  -3.883  -4.555
  521   1HD1  LEU  65          1HD1      LEU  65   1.998  -4.998  -4.767
  522   2HD1  LEU  65          2HD1      LEU  65   0.567  -5.801  -4.132
  523   3HD1  LEU  65          3HD1      LEU  65   1.277  -4.442  -3.259
  524   1HD2  LEU  65          1HD2      LEU  65   1.652  -2.476  -4.355
  525   2HD2  LEU  65          2HD2      LEU  65   0.030  -1.815  -4.551
  526   3HD2  LEU  65          3HD2      LEU  65   1.016  -2.164  -5.970
  527    H    ASN  66           H        ASN  66   0.902  -6.449  -8.719
  528    HA   ASN  66           HA       ASN  66  -1.484  -6.896 -10.341
  529   1HB   ASN  66          2HB       ASN  66   0.681  -4.899 -10.869
  530   2HB   ASN  66          1HB       ASN  66  -0.090  -5.706 -12.231
  531   1HD2  ASN  66          1HD2      ASN  66  -0.787  -3.561 -12.812
  532   2HD2  ASN  66          2HD2      ASN  66  -2.202  -2.896 -12.077
  533    H    GLU  67           H        GLU  67  -0.631  -7.706 -12.636
  534    HA   GLU  67           HA       GLU  67   0.888 -10.079 -12.041
  535   1HB   GLU  67          2HB       GLU  67  -0.588  -9.053 -14.437
  536   2HB   GLU  67          1HB       GLU  67   0.524 -10.404 -14.607
  537   1HG   GLU  67          2HG       GLU  67  -1.802 -10.322 -12.700
  538   2HG   GLU  67          1HG       GLU  67  -1.817 -11.096 -14.284
  539    H    ALA  68           H        ALA  68   2.272  -7.417 -11.992
  540    HA   ALA  68           HA       ALA  68   4.537  -8.234 -13.624
  541   1HB   ALA  68          1HB       ALA  68   4.789  -6.192 -14.772
  542   2HB   ALA  68          2HB       ALA  68   3.558  -5.398 -13.790
  543   3HB   ALA  68          3HB       ALA  68   3.093  -6.640 -14.954
  544    H    VAL  69           H        VAL  69   3.526  -7.477 -10.650
  545    HA   VAL  69           HA       VAL  69   6.143  -6.322  -9.950
  546    HB   VAL  69           HB       VAL  69   5.129  -4.883  -8.260
  547   1HG1  VAL  69          1HG1      VAL  69   4.488  -3.175  -9.693
  548   2HG1  VAL  69          2HG1      VAL  69   3.668  -4.276 -10.801
  549   3HG1  VAL  69          3HG1      VAL  69   5.430  -4.232 -10.746
  550   1HG2  VAL  69          1HG2      VAL  69   2.911  -6.526  -8.536
  551   2HG2  VAL  69          2HG2      VAL  69   2.397  -4.989  -9.230
  552   3HG2  VAL  69          3HG2      VAL  69   3.012  -5.050  -7.578
  553    H    SER  70           H        SER  70   6.189  -8.847  -9.673
  554    HA   SER  70           HA       SER  70   5.006  -9.765  -7.197
  555   1HB   SER  70          2HB       SER  70   6.367 -11.878  -7.786
  556   2HB   SER  70          1HB       SER  70   5.034 -11.432  -8.852
  557    HG   SER  70           HG       SER  70   6.459 -10.707 -10.346
  558    H    PHE  71           H        PHE  71   6.004 -10.108  -5.285
  559    HA   PHE  71           HA       PHE  71   8.880 -10.018  -5.012
  560   1HB   PHE  71          2HB       PHE  71   7.400  -7.616  -4.705
  561   2HB   PHE  71          1HB       PHE  71   7.910  -8.126  -3.098
  562    HD1  PHE  71           HD1      PHE  71   8.826  -6.276  -5.891
  563    HD2  PHE  71           HD2      PHE  71  10.442  -8.948  -3.006
  564    HE1  PHE  71           HE1      PHE  71  11.078  -5.380  -6.327
  565    HE2  PHE  71           HE2      PHE  71  12.696  -8.061  -3.437
  566    HZ   PHE  71           HZ       PHE  71  13.016  -6.274  -5.100
  567    H    LEU  72           H        LEU  72   9.396 -11.488  -3.652
  568    HA   LEU  72           HA       LEU  72   8.183 -13.330  -2.312
  569   1HB   LEU  72          2HB       LEU  72   9.863 -13.035  -0.407
  570   2HB   LEU  72          1HB       LEU  72  10.486 -13.234  -2.037
  571    HG   LEU  72           HG       LEU  72  10.422 -10.587  -2.026
  572   1HD1  LEU  72          1HD1      LEU  72  11.376 -10.461   0.633
  573   2HD1  LEU  72          2HD1      LEU  72   9.803 -11.255   0.686
  574   3HD1  LEU  72          3HD1      LEU  72   9.964  -9.666  -0.057
  575   1HD2  LEU  72          1HD2      LEU  72  12.778 -10.853  -0.777
  576   2HD2  LEU  72          2HD2      LEU  72  12.503 -11.369  -2.440
  577   3HD2  LEU  72          3HD2      LEU  72  12.446 -12.549  -1.131
  578    H    SER  73           H        SER  73   8.300 -10.042  -0.969
  579    HA   SER  73           HA       SER  73   5.952 -10.640   0.636
  580   1HB   SER  73          2HB       SER  73   8.074 -11.119   1.996
  581   2HB   SER  73          1HB       SER  73   8.343  -9.376   1.967
  582    HG   SER  73           HG       SER  73   7.167  -9.620   3.750
  583    H    LEU  74           H        LEU  74   5.474  -8.489   1.993
  584    HA   LEU  74           HA       LEU  74   4.946  -6.528   0.019
  585   1HB   LEU  74          2HB       LEU  74   4.362  -6.808   2.893
  586   2HB   LEU  74          1HB       LEU  74   4.256  -5.206   2.170
  587    HG   LEU  74           HG       LEU  74   2.967  -7.463   0.746
  588   1HD1  LEU  74          1HD1      LEU  74   1.797  -8.038   2.544
  589   2HD1  LEU  74          2HD1      LEU  74   0.914  -6.542   2.242
  590   3HD1  LEU  74          3HD1      LEU  74   2.226  -6.570   3.421
  591   1HD2  LEU  74          1HD2      LEU  74   1.674  -4.855   1.079
  592   2HD2  LEU  74          2HD2      LEU  74   1.929  -5.823  -0.363
  593   3HD2  LEU  74          3HD2      LEU  74   3.233  -4.824   0.263
  594    HA   PRO  75           HA       PRO  75   8.016  -3.800   2.846
  595   1HB   PRO  75          2HB       PRO  75  10.126  -5.619   3.449
  596   2HB   PRO  75          1HB       PRO  75   9.075  -4.782   4.592
  597   1HG   PRO  75          2HG       PRO  75   8.908  -7.547   3.551
  598   2HG   PRO  75          1HG       PRO  75   8.343  -6.887   5.095
  599   1HD   PRO  75          2HD       PRO  75   6.638  -7.551   3.133
  600   2HD   PRO  75          1HD       PRO  75   6.338  -6.159   4.190
  601    H    GLU  76           H        GLU  76   9.013  -6.672   1.038
  602    HA   GLU  76           HA       GLU  76  11.031  -5.208  -0.419
  603   1HB   GLU  76          2HB       GLU  76   9.971  -7.988  -0.951
  604   2HB   GLU  76          1HB       GLU  76  11.457  -7.290  -1.577
  605   1HG   GLU  76          2HG       GLU  76  10.838  -8.112   1.241
  606   2HG   GLU  76          1HG       GLU  76  12.089  -8.733   0.166
  607    H    LEU  77           H        LEU  77   7.701  -6.300  -0.857
  608    HA   LEU  77           HA       LEU  77   7.509  -5.871  -3.634
  609   1HB   LEU  77          2HB       LEU  77   5.720  -6.996  -2.571
  610   2HB   LEU  77          1HB       LEU  77   5.515  -5.711  -1.395
  611    HG   LEU  77           HG       LEU  77   5.129  -4.779  -4.123
  612   1HD1  LEU  77          1HD1      LEU  77   4.214  -7.322  -3.779
  613   2HD1  LEU  77          2HD1      LEU  77   3.556  -6.143  -4.912
  614   3HD1  LEU  77          3HD1      LEU  77   2.812  -6.356  -3.329
  615   1HD2  LEU  77          1HD2      LEU  77   4.549  -3.532  -2.077
  616   2HD2  LEU  77          2HD2      LEU  77   3.336  -4.755  -1.698
  617   3HD2  LEU  77          3HD2      LEU  77   3.165  -3.762  -3.145
  618    H    VAL  78           H        VAL  78   6.705  -3.744  -0.906
  619    HA   VAL  78           HA       VAL  78   6.036  -1.452  -2.291
  620    HB   VAL  78           HB       VAL  78   7.510  -1.683   0.341
  621   1HG1  VAL  78          1HG1      VAL  78   5.865   0.678  -0.038
  622   2HG1  VAL  78          2HG1      VAL  78   7.212   0.610  -1.168
  623   3HG1  VAL  78          3HG1      VAL  78   7.513   0.537   0.567
  624   1HG2  VAL  78          1HG2      VAL  78   5.090  -1.035   1.110
  625   2HG2  VAL  78          2HG2      VAL  78   5.488  -2.712   0.733
  626   3HG2  VAL  78          3HG2      VAL  78   4.632  -1.721  -0.449
  627    H    ASN  79           H        ASN  79   9.215  -2.712  -1.395
  628    HA   ASN  79           HA       ASN  79  10.818  -0.572  -2.126
  629   1HB   ASN  79          2HB       ASN  79  11.176  -3.389  -1.627
  630   2HB   ASN  79          1HB       ASN  79  12.157  -2.902  -3.006
  631   1HD2  ASN  79          1HD2      ASN  79  14.143  -2.476  -2.407
  632   2HD2  ASN  79          2HD2      ASN  79  14.624  -1.660  -0.963
  633    H    TYR  80           H        TYR  80   9.107  -2.902  -4.102
  634    HA   TYR  80           HA       TYR  80  10.430  -2.187  -6.556
  635   1HB   TYR  80          2HB       TYR  80   9.260  -4.391  -6.084
  636   2HB   TYR  80          1HB       TYR  80   7.738  -3.530  -6.272
  637    HD1  TYR  80           HD1      TYR  80   9.998  -5.562  -7.920
  638    HD2  TYR  80           HD2      TYR  80   7.696  -2.039  -8.547
  639    HE1  TYR  80           HE1      TYR  80  10.103  -5.931 -10.348
  640    HE2  TYR  80           HE2      TYR  80   7.795  -2.400 -10.976
  641    HH   TYR  80           HH       TYR  80   9.927  -4.372 -12.457
  642    H    HIS  81           H        HIS  81   7.331  -1.428  -5.030
  643    HA   HIS  81           HA       HIS  81   6.378   0.247  -7.106
  644   1HB   HIS  81          2HB       HIS  81   5.628   0.222  -4.177
  645   2HB   HIS  81          1HB       HIS  81   4.707   0.987  -5.467
  646    HD1  HIS  81           HD1      HIS  81   3.915  -0.822  -7.402
  647    HD2  HIS  81           HD2      HIS  81   4.792  -2.280  -3.616
  648    HE1  HIS  81           HE1      HIS  81   2.838  -3.087  -7.295
  649    HE2  HIS  81           HE2      HIS  81   3.544  -4.021  -5.068
  650    H    ARG  82           H        ARG  82   8.438   0.759  -4.333
  651    HA   ARG  82           HA       ARG  82   8.238   3.540  -4.190
  652   1HB   ARG  82          2HB       ARG  82   9.230   2.460  -2.336
  653   2HB   ARG  82          1HB       ARG  82  10.386   1.621  -3.358
  654   1HG   ARG  82          2HG       ARG  82  11.499   3.762  -3.828
  655   2HG   ARG  82          1HG       ARG  82  10.360   4.572  -2.751
  656   1HD   ARG  82          2HD       ARG  82  12.167   4.228  -1.358
  657   2HD   ARG  82          1HD       ARG  82  11.169   2.816  -1.011
  658    HE   ARG  82           HE       ARG  82  12.846   1.508  -1.827
  659   1HH1  ARG  82          2HH1      ARG  82  13.266   4.733  -3.094
  660   2HH1  ARG  82          1HH1      ARG  82  14.775   4.370  -3.861
  661   1HH2  ARG  82          1HH2      ARG  82  14.830   1.028  -2.836
  662   2HH2  ARG  82          2HH2      ARG  82  15.662   2.266  -3.716
  663    H    ALA  83           H        ALA  83  10.584   1.538  -5.809
  664    HA   ALA  83           HA       ALA  83  11.943   3.708  -7.028
  665   1HB   ALA  83          1HB       ALA  83  11.959   0.998  -8.269
  666   2HB   ALA  83          2HB       ALA  83  12.663   1.198  -6.665
  667   3HB   ALA  83          3HB       ALA  83  13.287   2.133  -8.025
  668    H    GLN  84           H        GLN  84   9.920   1.185  -8.442
  669    HA   GLN  84           HA       GLN  84   9.226   2.974 -10.655
  670   1HB   GLN  84          2HB       GLN  84   8.790  -0.002 -10.368
  671   2HB   GLN  84          1HB       GLN  84   8.425   0.954 -11.798
  672   1HG   GLN  84          2HG       GLN  84  10.522   0.856 -12.513
  673   2HG   GLN  84          1HG       GLN  84  11.162   1.318 -10.937
  674   1HE2  GLN  84          1HE2      GLN  84  10.430  -0.702  -9.329
  675   2HE2  GLN  84          2HE2      GLN  84  11.141  -2.188  -9.845
  676    H    SER  85           H        SER  85   7.210   3.707 -11.045
  677    HA   SER  85           HA       SER  85   5.150   3.077  -9.056
  678   1HB   SER  85          2HB       SER  85   4.333   5.054 -10.992
  679   2HB   SER  85          1HB       SER  85   4.523   5.214  -9.246
  680    HG   SER  85           HG       SER  85   6.467   5.593 -11.267
  681    H    LEU  86           H        LEU  86   6.061   1.501 -11.565
  682    HA   LEU  86           HA       LEU  86   4.328   1.409 -13.617
  683   1HB   LEU  86          2HB       LEU  86   6.152  -0.118 -13.510
  684   2HB   LEU  86          1HB       LEU  86   5.508  -0.888 -12.074
  685    HG   LEU  86           HG       LEU  86   3.594  -1.085 -14.216
  686   1HD1  LEU  86          1HD1      LEU  86   6.420  -1.601 -14.908
  687   2HD1  LEU  86          2HD1      LEU  86   5.059  -1.159 -15.937
  688   3HD1  LEU  86          3HD1      LEU  86   5.246  -2.825 -15.391
  689   1HD2  LEU  86          1HD2      LEU  86   4.238  -2.507 -12.034
  690   2HD2  LEU  86          2HD2      LEU  86   5.076  -3.454 -13.264
  691   3HD2  LEU  86          3HD2      LEU  86   3.339  -3.176 -13.397
  692    H    SER  87           H        SER  87   3.777  -0.827 -10.903
  693    HA   SER  87           HA       SER  87   0.919  -0.759 -11.523
  694   1HB   SER  87          2HB       SER  87   1.860  -2.977 -11.439
  695   2HB   SER  87          1HB       SER  87   2.568  -2.667  -9.854
  696    HG   SER  87           HG       SER  87   0.753  -3.275  -9.018
  697    H    HIS  88           H        HIS  88   2.074   1.486 -10.183
  698    HA   HIS  88           HA       HIS  88   0.321   1.546  -7.893
  699   1HB   HIS  88          2HB       HIS  88   2.661   0.624  -7.209
  700   2HB   HIS  88          1HB       HIS  88   3.176   2.300  -7.358
  701    HD1  HIS  88           HD1      HIS  88   1.349  -0.031  -5.167
  702    HD2  HIS  88           HD2      HIS  88   1.967   4.067  -5.457
  703    HE1  HIS  88           HE1      HIS  88   0.600   0.927  -2.967
  704    HE2  HIS  88           HE2      HIS  88   1.171   3.363  -3.108
  705    H    GLY  89           H        GLY  89  -0.614   3.472  -7.766
  706   1HA   GLY  89          2HA       GLY  89  -0.538   5.460  -9.564
  707   2HA   GLY  89          1HA       GLY  89  -0.894   5.770  -7.875
  708    H    LEU  90           H        LEU  90   1.491   5.486  -6.641
  709    HA   LEU  90           HA       LEU  90   3.345   7.260  -8.064
  710   1HB   LEU  90          2HB       LEU  90   1.837   7.823  -5.629
  711   2HB   LEU  90          1HB       LEU  90   3.561   8.042  -5.417
  712    HG   LEU  90           HG       LEU  90   1.726   9.496  -7.309
  713   1HD1  LEU  90          1HD1      LEU  90   2.184  11.367  -6.061
  714   2HD1  LEU  90          2HD1      LEU  90   3.727  10.739  -5.484
  715   3HD1  LEU  90          3HD1      LEU  90   2.218  10.120  -4.815
  716   1HD2  LEU  90          1HD2      LEU  90   4.692   9.156  -7.421
  717   2HD2  LEU  90          2HD2      LEU  90   3.965  10.689  -7.903
  718   3HD2  LEU  90          3HD2      LEU  90   3.516   9.199  -8.734
  719    H    ARG  91           H        ARG  91   5.424   7.479  -6.649
  720    HA   ARG  91           HA       ARG  91   6.365   4.778  -6.196
  721   1HB   ARG  91          2HB       ARG  91   7.636   7.461  -6.535
  722   2HB   ARG  91          1HB       ARG  91   8.554   6.187  -5.748
  723   1HG   ARG  91          2HG       ARG  91   8.417   4.797  -7.685
  724   2HG   ARG  91          1HG       ARG  91   7.274   5.899  -8.452
  725   1HD   ARG  91          2HD       ARG  91   9.209   7.636  -8.119
  726   2HD   ARG  91          1HD       ARG  91  10.213   6.188  -8.050
  727    HE   ARG  91           HE       ARG  91   8.769   5.786 -10.283
  728   1HH1  ARG  91          2HH1      ARG  91  10.649   8.504  -9.160
  729   2HH1  ARG  91          1HH1      ARG  91  11.051   9.043 -10.755
  730   1HH2  ARG  91          1HH2      ARG  91   9.295   6.495 -12.380
  731   2HH2  ARG  91          2HH2      ARG  91  10.279   7.907 -12.584
  732    H    LEU  92           H        LEU  92   5.877   3.941  -4.268
  733    HA   LEU  92           HA       LEU  92   5.204   5.142  -1.924
  734   1HB   LEU  92          2HB       LEU  92   6.819   2.623  -2.160
  735   2HB   LEU  92          1HB       LEU  92   5.815   3.102  -0.797
  736    HG   LEU  92           HG       LEU  92   4.836   2.529  -3.581
  737   1HD1  LEU  92          1HD1      LEU  92   5.552   0.544  -2.228
  738   2HD1  LEU  92          2HD1      LEU  92   3.863   0.542  -2.727
  739   3HD1  LEU  92          3HD1      LEU  92   4.292   0.970  -1.071
  740   1HD2  LEU  92          1HD2      LEU  92   3.084   3.761  -3.044
  741   2HD2  LEU  92          2HD2      LEU  92   3.666   3.977  -1.396
  742   3HD2  LEU  92          3HD2      LEU  92   2.695   2.563  -1.808
  743    H    ALA  93           H        ALA  93   6.183   6.771  -1.025
  744    HA   ALA  93           HA       ALA  93   9.108   6.686  -0.684
  745   1HB   ALA  93          1HB       ALA  93   7.685   8.606  -1.896
  746   2HB   ALA  93          2HB       ALA  93   9.225   8.893  -1.086
  747   3HB   ALA  93          3HB       ALA  93   7.712   9.240  -0.250
  748    H    ALA  94           H        ALA  94   6.468   8.361   1.084
  749    HA   ALA  94           HA       ALA  94   7.896   7.709   3.565
  750   1HB   ALA  94          1HB       ALA  94   5.777   9.792   3.067
  751   2HB   ALA  94          2HB       ALA  94   7.516  10.077   3.139
  752   3HB   ALA  94          3HB       ALA  94   6.650   9.542   4.579
  753    HA   PRO  95           HA       PRO  95   4.594   5.183   5.058
  754   1HB   PRO  95          2HB       PRO  95   4.916   5.939   7.796
  755   2HB   PRO  95          1HB       PRO  95   5.627   4.554   6.970
  756   1HG   PRO  95          2HG       PRO  95   7.049   6.714   7.952
  757   2HG   PRO  95          1HG       PRO  95   7.628   5.601   6.702
  758   1HD   PRO  95          2HD       PRO  95   6.429   8.326   6.412
  759   2HD   PRO  95          1HD       PRO  95   7.759   7.573   5.504
  760    H    CYS  96           H        CYS  96   2.501   5.113   5.936
  761    HA   CYS  96           HA       CYS  96   1.049   7.573   5.763
  762   1HB   CYS  96          2HB       CYS  96   0.389   4.983   5.309
  763   2HB   CYS  96          1HB       CYS  96  -0.296   5.204   6.915
  764    HG   CYS  96           HG       CYS  96  -1.821   7.074   5.949
  765    H    ARG  97           H        ARG  97   0.063   8.736   7.388
  766    HA   ARG  97           HA       ARG  97   0.486   7.843  10.149
  767   1HB   ARG  97          2HB       ARG  97   1.056  10.664   9.237
  768   2HB   ARG  97          1HB       ARG  97   1.321   9.990  10.839
  769   1HG   ARG  97          2HG       ARG  97   3.163   8.746  10.144
  770   2HG   ARG  97          1HG       ARG  97   2.721   8.871   8.440
  771   1HD   ARG  97          2HD       ARG  97   4.217  10.527   8.338
  772   2HD   ARG  97          1HD       ARG  97   3.012  11.497   9.183
  773    HE   ARG  97           HE       ARG  97   4.615  10.017  11.007
  774   1HH1  ARG  97          2HH1      ARG  97   4.628  12.849   8.969
  775   2HH1  ARG  97          1HH1      ARG  97   5.793  13.693   9.933
  776   1HH2  ARG  97          1HH2      ARG  97   6.147  11.124  12.279
  777   2HH2  ARG  97          2HH2      ARG  97   6.655  12.714  11.814
  778    H    LYS  98           H        LYS  98  -0.887   8.912  11.716
  779    HA   LYS  98           HA       LYS  98  -2.976  10.665  10.925
  780   1HB   LYS  98          2HB       LYS  98  -3.461   8.065  10.188
  781   2HB   LYS  98          1HB       LYS  98  -4.251   8.154  11.756
  782   1HG   LYS  98          2HG       LYS  98  -5.470  10.171  10.949
  783   2HG   LYS  98          1HG       LYS  98  -4.777   9.885   9.352
  784   1HD   LYS  98          2HD       LYS  98  -6.968   8.925   9.389
  785   2HD   LYS  98          1HD       LYS  98  -5.796   7.606   9.401
  786   1HE   LYS  98          2HE       LYS  98  -6.076   7.348  11.800
  787   2HE   LYS  98          1HE       LYS  98  -7.190   8.714  11.836
  788   1HZ   LYS  98          1HZ       LYS  98  -7.874   6.570  10.000
  789   2HZ   LYS  98          2HZ       LYS  98  -8.868   7.478  11.024
  790   3HZ   LYS  98          3HZ       LYS  98  -7.975   6.184  11.645
  791    H    HIS  99           H        HIS  99  -2.425   7.970  13.198
  792    HA   HIS  99           HA       HIS  99  -2.791   9.876  15.407
  793   1HB   HIS  99          2HB       HIS  99  -4.636   7.937  14.769
  794   2HB   HIS  99          1HB       HIS  99  -3.665   7.139  16.001
  795    HD1  HIS  99           HD1      HIS  99  -5.304  10.562  15.622
  796    HD2  HIS  99           HD2      HIS  99  -4.657   7.599  18.462
  797    HE1  HIS  99           HE1      HIS  99  -6.442  11.374  17.712
  798    HE2  HIS  99           HE2      HIS  99  -5.969   9.601  19.439
  799    H    GLU 100           HN       GLU 100  -0.377   8.831  14.150
  800    HA   GLU 100           HA       GLU 100   1.107   8.223  16.466
  801   1HB   GLU 100          2HB       GLU 100   1.831   5.910  15.787
  802   2HB   GLU 100          1HB       GLU 100   0.180   6.027  16.379
  803   1HG   GLU 100          2HG       GLU 100  -0.500   6.196  13.925
  804   2HG   GLU 100          1HG       GLU 100   1.136   5.645  13.565
  Start of MODEL   17
    1   1H    SER   1          1H        SER   1  12.860   2.505   1.994
    2   2H    SER   1          2H        SER   1  13.035   1.501   3.375
    3   3H    SER   1          3H        SER   1  12.584   3.147   3.558
    4    HA   SER   1           HA       SER   1  10.604   2.577   2.150
    5   1HB   SER   1          2HB       SER   1  11.863  -0.072   2.693
    6   2HB   SER   1          1HB       SER   1  10.103   0.018   2.738
    7    HG   SER   1           HG       SER   1  11.615   1.045   0.580
    8    H    GLU   2           H        GLU   2   8.621   2.270   3.309
    9    HA   GLU   2           HA       GLU   2   8.390   1.447   5.956
   10   1HB   GLU   2          2HB       GLU   2   8.025   3.849   6.915
   11   2HB   GLU   2          1HB       GLU   2   9.645   3.172   6.841
   12   1HG   GLU   2          2HG       GLU   2   8.935   4.606   4.422
   13   2HG   GLU   2          1HG       GLU   2   8.841   5.617   5.862
   14    HA   PRO   3           HA       PRO   3   4.364   2.373   3.919
   15   1HB   PRO   3          2HB       PRO   3   3.386  -0.106   3.962
   16   2HB   PRO   3          1HB       PRO   3   4.664   0.294   2.818
   17   1HG   PRO   3          2HG       PRO   3   4.862  -1.143   5.426
   18   2HG   PRO   3          1HG       PRO   3   5.639  -1.521   3.878
   19   1HD   PRO   3          2HD       PRO   3   6.856  -0.161   5.956
   20   2HD   PRO   3          1HD       PRO   3   7.358  -0.066   4.256
   21    H    TRP   4           H        TRP   4   5.020   0.311   6.750
   22    HA   TRP   4           HA       TRP   4   4.103   0.275   8.834
   23   1HB   TRP   4          2HB       TRP   4   3.230   2.834   7.861
   24   2HB   TRP   4          1HB       TRP   4   1.899   2.064   8.720
   25    HD1  TRP   4           HD1      TRP   4   2.122   1.811  11.342
   26    HE1  TRP   4           HE1      TRP   4   3.776   2.771  13.064
   27    HE3  TRP   4           HE3      TRP   4   5.743   3.479   8.144
   28    HZ2  TRP   4           HZ2      TRP   4   6.286   4.064  13.066
   29    HZ3  TRP   4           HZ3      TRP   4   7.741   4.566   9.086
   30    HH2  TRP   4           HH2      TRP   4   8.004   4.852  11.497
   31    H    PHE   5           H        PHE   5   3.315  -1.745   8.641
   32    HA   PHE   5           HA       PHE   5   1.059  -2.448   7.079
   33   1HB   PHE   5          2HB       PHE   5   1.240  -4.633   8.159
   34   2HB   PHE   5          1HB       PHE   5   2.828  -4.052   7.670
   35    HD1  PHE   5           HD1      PHE   5   0.682  -4.944  10.457
   36    HD2  PHE   5           HD2      PHE   5   4.435  -3.274   9.347
   37    HE1  PHE   5           HE1      PHE   5   1.499  -5.264  12.755
   38    HE2  PHE   5           HE2      PHE   5   5.261  -3.593  11.644
   39    HZ   PHE   5           HZ       PHE   5   3.792  -4.589  13.351
   40    H    PHE   6           H        PHE   6  -0.999  -2.158   7.483
   41    HA   PHE   6           HA       PHE   6  -1.914  -2.027  10.279
   42   1HB   PHE   6          2HB       PHE   6  -2.787  -0.286   7.964
   43   2HB   PHE   6          1HB       PHE   6  -3.626  -0.369   9.508
   44    HD1  PHE   6           HD1      PHE   6  -1.468  -0.376  11.445
   45    HD2  PHE   6           HD2      PHE   6  -1.858   1.812   7.816
   46    HE1  PHE   6           HE1      PHE   6   0.008   1.374  12.345
   47    HE2  PHE   6           HE2      PHE   6  -0.382   3.566   8.708
   48    HZ   PHE   6           HZ       PHE   6   0.553   3.349  10.976
   49    H    GLY   7           H        GLY   7  -2.470  -4.249  10.089
   50   1HA   GLY   7          2HA       GLY   7  -4.244  -5.142   8.027
   51   2HA   GLY   7          1HA       GLY   7  -3.718  -6.065   9.423
   52    H    CYS   8           H        CYS   8  -4.881  -3.116  10.478
   53    HA   CYS   8           HA       CYS   8  -7.534  -4.277  10.861
   54   1HB   CYS   8          2HB       CYS   8  -5.704  -2.957  12.812
   55   2HB   CYS   8          1HB       CYS   8  -7.442  -2.784  13.034
   56    HG   CYS   8           HG       CYS   8  -7.532  -5.450  13.163
   57    H    ILE   9           H        ILE   9  -6.406  -2.226   8.901
   58    HA   ILE   9           HA       ILE   9  -8.216  -0.005   9.587
   59    HB   ILE   9           HB       ILE   9  -6.963   1.388   8.020
   60   1HG1  ILE   9          2HG1      ILE   9  -4.623   0.209   7.409
   61   2HG1  ILE   9          1HG1      ILE   9  -5.678  -1.201   7.372
   62   1HG2  ILE   9          1HG2      ILE   9  -5.458   0.001  10.203
   63   2HG2  ILE   9          2HG2      ILE   9  -6.159   1.620  10.182
   64   3HG2  ILE   9          3HG2      ILE   9  -4.703   1.277   9.248
   65   1HD1  ILE   9          1HD1      ILE   9  -6.977   0.894   5.983
   66   2HD1  ILE   9          2HD1      ILE   9  -6.357  -0.633   5.356
   67   3HD1  ILE   9          3HD1      ILE   9  -5.318   0.790   5.400
   68    H    SER  10           H        SER  10 -10.054   0.119   8.494
   69    HA   SER  10           HA       SER  10 -10.526  -1.588   6.223
   70   1HB   SER  10          2HB       SER  10 -12.277  -1.194   7.932
   71   2HB   SER  10          1HB       SER  10 -12.325   0.506   7.469
   72    HG   SER  10           HG       SER  10 -13.948  -0.563   6.377
   73    H    ARG  11           H        ARG  11 -11.634  -0.634   4.247
   74    HA   ARG  11           HA       ARG  11  -9.895   1.079   2.925
   75   1HB   ARG  11          2HB       ARG  11 -11.876  -0.502   2.092
   76   2HB   ARG  11          1HB       ARG  11 -12.732   1.033   2.042
   77   1HG   ARG  11          2HG       ARG  11 -11.548   1.795   0.279
   78   2HG   ARG  11          1HG       ARG  11 -10.062   0.990   0.789
   79   1HD   ARG  11          2HD       ARG  11 -10.866  -1.125  -0.020
   80   2HD   ARG  11          1HD       ARG  11 -12.450  -0.436  -0.373
   81    HE   ARG  11           HE       ARG  11 -10.748   1.063  -1.864
   82   1HH1  ARG  11          2HH1      ARG  11 -11.318  -2.366  -1.565
   83   2HH1  ARG  11          1HH1      ARG  11 -10.872  -2.710  -3.203
   84   1HH2  ARG  11          1HH2      ARG  11 -10.162   0.614  -4.019
   85   2HH2  ARG  11          2HH2      ARG  11 -10.215  -1.019  -4.596
   86    H    SER  12           H        SER  12 -12.481   1.779   5.036
   87    HA   SER  12           HA       SER  12 -13.003   4.444   4.192
   88   1HB   SER  12          2HB       SER  12 -13.517   3.102   6.856
   89   2HB   SER  12          1HB       SER  12 -14.170   4.664   6.367
   90    HG   SER  12           HG       SER  12 -14.612   2.230   4.976
   91    H    GLU  13           H        GLU  13 -10.852   3.003   6.597
   92    HA   GLU  13           HA       GLU  13  -9.999   5.500   7.685
   93   1HB   GLU  13          2HB       GLU  13  -8.440   2.930   7.813
   94   2HB   GLU  13          1HB       GLU  13  -8.425   4.270   8.951
   95   1HG   GLU  13          2HG       GLU  13 -11.059   3.063   8.616
   96   2HG   GLU  13          1HG       GLU  13  -9.841   1.949   9.234
   97    H    ALA  14           H        ALA  14  -8.330   3.120   5.615
   98    HA   ALA  14           HA       ALA  14  -6.015   4.508   5.147
   99   1HB   ALA  14          1HB       ALA  14  -5.885   3.253   3.001
  100   2HB   ALA  14          2HB       ALA  14  -7.538   2.702   3.280
  101   3HB   ALA  14          3HB       ALA  14  -6.256   2.248   4.402
  102    H    VAL  15           H        VAL  15  -9.183   5.065   3.800
  103    HA   VAL  15           HA       VAL  15  -8.343   6.744   1.661
  104    HB   VAL  15           HB       VAL  15 -10.995   6.518   3.082
  105   1HG1  VAL  15          1HG1      VAL  15 -10.277   8.213   0.696
  106   2HG1  VAL  15          2HG1      VAL  15 -10.875   8.772   2.257
  107   3HG1  VAL  15          3HG1      VAL  15 -11.927   7.838   1.192
  108   1HG2  VAL  15          1HG2      VAL  15 -11.636   5.088   1.431
  109   2HG2  VAL  15          2HG2      VAL  15  -9.907   4.742   1.442
  110   3HG2  VAL  15          3HG2      VAL  15 -10.582   5.828   0.228
  111    H    ARG  16           H        ARG  16  -9.634   7.495   4.906
  112    HA   ARG  16           HA       ARG  16  -9.011  10.298   4.577
  113   1HB   ARG  16          2HB       ARG  16  -9.894   8.932   7.113
  114   2HB   ARG  16          1HB       ARG  16 -10.050  10.634   6.697
  115   1HG   ARG  16          2HG       ARG  16 -11.545   9.822   4.777
  116   2HG   ARG  16          1HG       ARG  16 -11.608   8.296   5.661
  117   1HD   ARG  16          2HD       ARG  16 -13.355   9.223   6.720
  118   2HD   ARG  16          1HD       ARG  16 -12.126  10.090   7.640
  119    HE   ARG  16           HE       ARG  16 -12.907  11.415   5.211
  120   1HH1  ARG  16          2HH1      ARG  16 -13.639  10.974   8.594
  121   2HH1  ARG  16          1HH1      ARG  16 -14.469  12.487   8.740
  122   1HH2  ARG  16          1HH2      ARG  16 -14.000  13.404   5.400
  123   2HH2  ARG  16          2HH2      ARG  16 -14.677  13.865   6.927
  124    H    ARG  17           H        ARG  17  -7.422   7.538   5.699
  125    HA   ARG  17           HA       ARG  17  -5.656   8.837   7.552
  126   1HB   ARG  17          2HB       ARG  17  -6.390   6.328   7.446
  127   2HB   ARG  17          1HB       ARG  17  -5.087   6.175   6.275
  128   1HG   ARG  17          2HG       ARG  17  -3.468   6.864   7.901
  129   2HG   ARG  17          1HG       ARG  17  -4.738   7.253   9.063
  130   1HD   ARG  17          2HD       ARG  17  -4.789   4.509   8.003
  131   2HD   ARG  17          1HD       ARG  17  -3.396   4.904   9.007
  132    HE   ARG  17           HE       ARG  17  -6.130   4.610   9.858
  133   1HH1  ARG  17          2HH1      ARG  17  -3.022   6.008  10.617
  134   2HH1  ARG  17          1HH1      ARG  17  -3.343   6.107  12.315
  135   1HH2  ARG  17          1HH2      ARG  17  -6.552   4.740  12.091
  136   2HH2  ARG  17          2HH2      ARG  17  -5.345   5.388  13.153
  137    H    LEU  18           H        LEU  18  -5.333   7.464   4.289
  138    HA   LEU  18           HA       LEU  18  -2.676   8.245   3.831
  139   1HB   LEU  18          2HB       LEU  18  -4.977   7.476   2.123
  140   2HB   LEU  18          1HB       LEU  18  -3.579   8.200   1.356
  141    HG   LEU  18           HG       LEU  18  -3.426   5.796   1.239
  142   1HD1  LEU  18          1HD1      LEU  18  -1.412   7.344   1.820
  143   2HD1  LEU  18          2HD1      LEU  18  -1.224   5.592   1.887
  144   3HD1  LEU  18          3HD1      LEU  18  -1.464   6.511   3.372
  145   1HD2  LEU  18          1HD2      LEU  18  -3.025   4.638   3.535
  146   2HD2  LEU  18          2HD2      LEU  18  -4.665   4.896   2.955
  147   3HD2  LEU  18          3HD2      LEU  18  -3.976   5.977   4.164
  148    H    GLN  19           H        GLN  19  -5.722   9.798   3.207
  149    HA   GLN  19           HA       GLN  19  -4.636  12.089   1.901
  150   1HB   GLN  19          2HB       GLN  19  -7.228  11.024   2.428
  151   2HB   GLN  19          1HB       GLN  19  -7.201  12.698   2.958
  152   1HG   GLN  19          2HG       GLN  19  -5.936  12.422   0.389
  153   2HG   GLN  19          1HG       GLN  19  -7.563  11.742   0.368
  154   1HE2  GLN  19          1HE2      GLN  19  -5.704  14.622   1.172
  155   2HE2  GLN  19          2HE2      GLN  19  -6.989  15.747   0.913
  156    H    ALA  20           H        ALA  20  -4.989  11.226   5.212
  157    HA   ALA  20           HA       ALA  20  -5.460  13.560   6.551
  158   1HB   ALA  20          1HB       ALA  20  -4.602  12.545   8.394
  159   2HB   ALA  20          2HB       ALA  20  -3.163  11.976   7.549
  160   3HB   ALA  20          3HB       ALA  20  -4.698  11.133   7.342
  161    H    GLU  21           H        GLU  21  -3.787  14.972   7.742
  162    HA   GLU  21           HA       GLU  21  -2.033  16.036   5.716
  163   1HB   GLU  21          2HB       GLU  21  -2.318  17.187   8.470
  164   2HB   GLU  21          1HB       GLU  21  -1.891  18.018   6.981
  165   1HG   GLU  21          2HG       GLU  21  -4.003  18.621   6.761
  166   2HG   GLU  21          1HG       GLU  21  -4.434  16.925   6.548
  167    H    GLY  22           H        GLY  22  -1.586  13.593   7.397
  168   1HA   GLY  22          2HA       GLY  22   1.056  14.210   8.509
  169   2HA   GLY  22          1HA       GLY  22   0.158  12.720   8.768
  170    H    ASN  23           H        ASN  23  -0.326  13.200   5.648
  171    HA   ASN  23           HA       ASN  23   2.078  11.711   4.831
  172   1HB   ASN  23          2HB       ASN  23  -0.773  11.533   3.874
  173   2HB   ASN  23          1HB       ASN  23   0.576  10.735   3.075
  174   1HD2  ASN  23          1HD2      ASN  23   2.012  10.046   5.428
  175   2HD2  ASN  23          2HD2      ASN  23   1.126   8.817   6.247
  176    H    ALA  24           H        ALA  24   3.352  12.586   3.409
  177    HA   ALA  24           HA       ALA  24   2.337  14.834   1.831
  178   1HB   ALA  24          1HB       ALA  24   4.222  15.358   3.323
  179   2HB   ALA  24          2HB       ALA  24   4.637  15.584   1.624
  180   3HB   ALA  24          3HB       ALA  24   5.200  14.152   2.486
  181    H    THR  25           H        THR  25   1.383  12.988   0.593
  182    HA   THR  25           HA       THR  25   1.238  11.728  -1.242
  183    HB   THR  25           HB       THR  25   2.638  12.421  -3.186
  184    HG1  THR  25           HG1      THR  25   4.463  12.981  -1.690
  185   1HG2  THR  25          1HG2      THR  25   0.589  13.701  -2.473
  186   2HG2  THR  25          2HG2      THR  25   1.760  14.583  -3.454
  187   3HG2  THR  25          3HG2      THR  25   1.687  14.852  -1.712
  188    H    GLY  26           H        GLY  26   1.848   9.807  -2.075
  189   1HA   GLY  26          2HA       GLY  26   3.251   7.975  -2.498
  190   2HA   GLY  26          1HA       GLY  26   4.550   8.797  -1.639
  191    H    ALA  27           H        ALA  27   2.741   9.399   0.641
  192    HA   ALA  27           HA       ALA  27   3.391   7.504   2.448
  193   1HB   ALA  27          1HB       ALA  27   1.458   8.211   3.762
  194   2HB   ALA  27          2HB       ALA  27   0.749   8.951   2.327
  195   3HB   ALA  27          3HB       ALA  27   2.248   9.592   3.003
  196    H    PHE  28           H        PHE  28   3.156   5.332   2.419
  197    HA   PHE  28           HA       PHE  28   0.644   4.233   1.301
  198   1HB   PHE  28          2HB       PHE  28   2.125   2.279   0.650
  199   2HB   PHE  28          1HB       PHE  28   2.379   3.774  -0.244
  200    HD1  PHE  28           HD1      PHE  28   3.912   1.215   1.628
  201    HD2  PHE  28           HD2      PHE  28   4.294   5.304   0.581
  202    HE1  PHE  28           HE1      PHE  28   6.308   1.134   2.199
  203    HE2  PHE  28           HE2      PHE  28   6.680   5.232   1.141
  204    HZ   PHE  28           HZ       PHE  28   7.694   3.151   1.949
  205    H    LEU  29           H        LEU  29   0.157   2.086   2.116
  206    HA   LEU  29           HA       LEU  29   1.294   1.258   4.629
  207   1HB   LEU  29          2HB       LEU  29  -0.915   1.319   5.792
  208   2HB   LEU  29          1HB       LEU  29  -0.155   2.873   5.537
  209    HG   LEU  29           HG       LEU  29  -2.085   3.614   4.695
  210   1HD1  LEU  29          1HD1      LEU  29  -2.943   2.656   2.521
  211   2HD1  LEU  29          2HD1      LEU  29  -1.538   1.612   2.551
  212   3HD1  LEU  29          3HD1      LEU  29  -1.330   3.357   2.517
  213   1HD2  LEU  29          1HD2      LEU  29  -4.045   2.156   4.456
  214   2HD2  LEU  29          2HD2      LEU  29  -3.217   1.917   5.995
  215   3HD2  LEU  29          3HD2      LEU  29  -3.008   0.749   4.690
  216    H    ILE  30           H        ILE  30   0.904  -0.889   5.074
  217    HA   ILE  30           HA       ILE  30  -0.724  -2.239   3.027
  218    HB   ILE  30           HB       ILE  30   1.038  -3.955   4.637
  219   1HG1  ILE  30          2HG1      ILE  30   2.343  -1.742   4.036
  220   2HG1  ILE  30          1HG1      ILE  30   3.096  -3.309   3.785
  221   1HG2  ILE  30          1HG2      ILE  30  -0.258  -3.851   2.047
  222   2HG2  ILE  30          2HG2      ILE  30   0.279  -5.237   2.985
  223   3HG2  ILE  30          3HG2      ILE  30   1.409  -4.399   1.935
  224   1HD1  ILE  30          1HD1      ILE  30   3.277  -2.972   1.599
  225   2HD1  ILE  30          2HD1      ILE  30   2.879  -1.289   1.937
  226   3HD1  ILE  30          3HD1      ILE  30   1.611  -2.416   1.457
  227    H    ARG  31           H        ARG  31  -2.588  -2.914   3.619
  228    HA   ARG  31           HA       ARG  31  -3.058  -3.625   6.437
  229   1HB   ARG  31          2HB       ARG  31  -5.428  -3.108   5.956
  230   2HB   ARG  31          1HB       ARG  31  -4.382  -1.721   5.664
  231   1HG   ARG  31          2HG       ARG  31  -4.587  -3.278   3.282
  232   2HG   ARG  31          1HG       ARG  31  -6.202  -2.924   3.892
  233   1HD   ARG  31          2HD       ARG  31  -4.711  -0.549   4.140
  234   2HD   ARG  31          1HD       ARG  31  -4.340  -1.200   2.551
  235    HE   ARG  31           HE       ARG  31  -6.989  -0.391   3.514
  236   1HH1  ARG  31          2HH1      ARG  31  -4.913  -1.412   0.895
  237   2HH1  ARG  31          1HH1      ARG  31  -6.068  -1.023  -0.331
  238   1HH2  ARG  31          1HH2      ARG  31  -8.501   0.123   1.896
  239   2HH2  ARG  31          2HH2      ARG  31  -8.101  -0.149   0.234
  240    H    VAL  32           H        VAL  32  -5.205  -5.115   6.439
  241    HA   VAL  32           HA       VAL  32  -4.410  -7.431   4.852
  242    HB   VAL  32           HB       VAL  32  -5.924  -8.735   6.275
  243   1HG1  VAL  32          1HG1      VAL  32  -4.781  -7.894   8.555
  244   2HG1  VAL  32          2HG1      VAL  32  -3.755  -7.067   7.382
  245   3HG1  VAL  32          3HG1      VAL  32  -3.924  -8.821   7.325
  246   1HG2  VAL  32          1HG2      VAL  32  -7.696  -7.228   6.723
  247   2HG2  VAL  32          2HG2      VAL  32  -6.606  -6.047   7.449
  248   3HG2  VAL  32          3HG2      VAL  32  -6.935  -7.568   8.277
  249    H    SER  33           H        SER  33  -5.441  -8.113   3.153
  250    HA   SER  33           HA       SER  33  -7.253  -6.722   1.697
  251   1HB   SER  33          2HB       SER  33  -6.568  -9.623   1.838
  252   2HB   SER  33          1HB       SER  33  -7.920  -9.120   0.826
  253    HG   SER  33           HG       SER  33  -6.310  -7.523  -0.026
  254    H    GLU  34           H        GLU  34  -9.098  -5.889   2.496
  255    HA   GLU  34           HA       GLU  34 -10.776  -7.209   4.352
  256   1HB   GLU  34          2HB       GLU  34 -11.602  -5.005   2.465
  257   2HB   GLU  34          1HB       GLU  34 -12.322  -5.406   4.018
  258   1HG   GLU  34          2HG       GLU  34 -11.018  -3.887   4.949
  259   2HG   GLU  34          1HG       GLU  34  -9.629  -4.899   4.556
  260    H    LYS  35           H        LYS  35 -10.350  -7.504   1.014
  261    HA   LYS  35           HA       LYS  35 -12.848  -9.034   0.771
  262   1HB   LYS  35          2HB       LYS  35 -11.876  -8.423  -1.824
  263   2HB   LYS  35          1HB       LYS  35 -13.354  -7.864  -1.057
  264   1HG   LYS  35          2HG       LYS  35 -10.709  -6.494  -0.654
  265   2HG   LYS  35          1HG       LYS  35 -11.807  -6.088  -1.974
  266   1HD   LYS  35          2HD       LYS  35 -12.749  -6.124   0.872
  267   2HD   LYS  35          1HD       LYS  35 -11.925  -4.714   0.203
  268   1HE   LYS  35          2HE       LYS  35 -14.012  -5.700  -1.557
  269   2HE   LYS  35          1HE       LYS  35 -14.635  -5.284   0.039
  270   1HZ   LYS  35          1HZ       LYS  35 -13.381  -3.555  -1.973
  271   2HZ   LYS  35          2HZ       LYS  35 -13.217  -3.150  -0.339
  272   3HZ   LYS  35          3HZ       LYS  35 -14.757  -3.281  -1.027
  273    HA   PRO  36           HA       PRO  36  -9.457 -11.435  -1.943
  274   1HB   PRO  36          2HB       PRO  36  -7.109 -10.242  -0.534
  275   2HB   PRO  36          1HB       PRO  36  -7.250 -10.804  -2.199
  276   1HG   PRO  36          2HG       PRO  36  -7.290  -8.204  -1.609
  277   2HG   PRO  36          1HG       PRO  36  -8.287  -8.875  -2.911
  278   1HD   PRO  36          2HD       PRO  36  -9.078  -7.909  -0.226
  279   2HD   PRO  36          1HD       PRO  36 -10.003  -7.948  -1.737
  280    H    SER  37           H        SER  37  -8.136 -13.277  -1.180
  281    HA   SER  37           HA       SER  37  -9.115 -14.305   1.254
  282   1HB   SER  37          2HB       SER  37  -6.807 -15.280  -0.448
  283   2HB   SER  37          1HB       SER  37  -7.598 -16.207   0.827
  284    HG   SER  37           HG       SER  37  -8.428 -15.670  -1.743
  285    H    ALA  38           H        ALA  38  -5.956 -15.262   1.438
  286    HA   ALA  38           HA       ALA  38  -5.496 -13.561   3.750
  287   1HB   ALA  38          1HB       ALA  38  -4.023 -15.157   4.509
  288   2HB   ALA  38          2HB       ALA  38  -3.586 -15.683   2.883
  289   3HB   ALA  38          3HB       ALA  38  -5.143 -16.145   3.571
  290    H    ASP  39           H        ASP  39  -5.372 -12.010   1.576
  291    HA   ASP  39           HA       ASP  39  -2.525 -11.695   0.923
  292   1HB   ASP  39          2HB       ASP  39  -4.889 -10.361  -0.411
  293   2HB   ASP  39          1HB       ASP  39  -3.231 -10.431  -0.998
  294    H    TYR  40           H        TYR  40  -2.530  -9.019   0.184
  295    HA   TYR  40           HA       TYR  40  -3.458  -7.508   2.505
  296   1HB   TYR  40          2HB       TYR  40  -0.612  -8.104   1.907
  297   2HB   TYR  40          1HB       TYR  40  -0.957  -6.392   2.134
  298    HD1  TYR  40           HD1      TYR  40  -0.768  -5.561   4.297
  299    HD2  TYR  40           HD2      TYR  40  -1.798  -9.652   3.754
  300    HE1  TYR  40           HE1      TYR  40  -0.710  -5.893   6.730
  301    HE2  TYR  40           HE2      TYR  40  -1.749  -9.995   6.188
  302    HH   TYR  40           HH       TYR  40  -0.468  -7.656   8.347
  303    H    VAL  41           H        VAL  41  -4.039  -5.500   2.037
  304    HA   VAL  41           HA       VAL  41  -3.726  -4.753  -0.794
  305    HB   VAL  41           HB       VAL  41  -5.674  -3.142  -0.257
  306   1HG1  VAL  41          1HG1      VAL  41  -7.133  -5.497  -0.273
  307   2HG1  VAL  41          2HG1      VAL  41  -5.571  -5.970  -0.945
  308   3HG1  VAL  41          3HG1      VAL  41  -6.489  -4.660  -1.686
  309   1HG2  VAL  41          1HG2      VAL  41  -7.028  -4.789   1.547
  310   2HG2  VAL  41          2HG2      VAL  41  -6.410  -3.169   1.856
  311   3HG2  VAL  41          3HG2      VAL  41  -5.430  -4.576   2.253
  312    H    LEU  42           H        LEU  42  -2.747  -2.913  -1.352
  313    HA   LEU  42           HA       LEU  42  -1.659  -1.326   0.859
  314   1HB   LEU  42          2HB       LEU  42   0.010  -2.478  -0.480
  315   2HB   LEU  42          1HB       LEU  42  -0.612  -1.725  -1.935
  316    HG   LEU  42           HG       LEU  42   0.072   0.480  -1.103
  317   1HD1  LEU  42          1HD1      LEU  42   0.387  -1.028   1.363
  318   2HD1  LEU  42          2HD1      LEU  42   0.188   0.701   1.101
  319   3HD1  LEU  42          3HD1      LEU  42   1.788  -0.025   0.983
  320   1HD2  LEU  42          1HD2      LEU  42   2.086   0.152  -1.998
  321   2HD2  LEU  42          2HD2      LEU  42   1.705  -1.569  -2.025
  322   3HD2  LEU  42          3HD2      LEU  42   2.591  -0.884  -0.663
  323    H    SER  43           H        SER  43  -2.129   0.762   1.012
  324    HA   SER  43           HA       SER  43  -3.317   2.059  -1.321
  325   1HB   SER  43          2HB       SER  43  -5.102   2.636  -0.211
  326   2HB   SER  43          1HB       SER  43  -4.543   1.668   1.151
  327    HG   SER  43           HG       SER  43  -4.899   4.236   1.125
  328    H    VAL  44           H        VAL  44  -3.076   4.343  -1.421
  329    HA   VAL  44           HA       VAL  44  -0.765   5.384   0.037
  330    HB   VAL  44           HB       VAL  44   0.071   4.151  -1.991
  331   1HG1  VAL  44          1HG1      VAL  44  -0.681   4.570  -4.045
  332   2HG1  VAL  44          2HG1      VAL  44  -0.571   6.313  -3.824
  333   3HG1  VAL  44          3HG1      VAL  44  -2.000   5.440  -3.272
  334   1HG2  VAL  44          1HG2      VAL  44   0.788   6.715  -0.993
  335   2HG2  VAL  44          2HG2      VAL  44   1.049   6.709  -2.733
  336   3HG2  VAL  44          3HG2      VAL  44   1.821   5.488  -1.722
  337    H    ARG  45           H        ARG  45  -0.664   7.625   0.104
  338    HA   ARG  45           HA       ARG  45  -3.070   9.036  -0.553
  339   1HB   ARG  45          2HB       ARG  45  -1.568   9.616   1.395
  340   2HB   ARG  45          1HB       ARG  45  -0.398  10.219   0.229
  341   1HG   ARG  45          2HG       ARG  45  -2.305  11.721  -0.606
  342   2HG   ARG  45          1HG       ARG  45  -3.096  11.318   0.918
  343   1HD   ARG  45          2HD       ARG  45  -0.803  12.009   1.954
  344   2HD   ARG  45          1HD       ARG  45  -0.583  12.858   0.426
  345    HE   ARG  45           HE       ARG  45  -2.400  13.547   2.560
  346   1HH1  ARG  45          2HH1      ARG  45  -1.633  13.944  -0.823
  347   2HH1  ARG  45          1HH1      ARG  45  -2.490  15.441  -0.969
  348   1HH2  ARG  45          1HH2      ARG  45  -3.527  15.515   2.368
  349   2HH2  ARG  45          2HH2      ARG  45  -3.563  16.334   0.842
  350    H    ASP  46           H        ASP  46  -0.425   7.986  -2.261
  351    HA   ASP  46           HA       ASP  46   0.570   8.550  -4.237
  352   1HB   ASP  46          2HB       ASP  46  -1.165   9.357  -5.996
  353   2HB   ASP  46          1HB       ASP  46  -1.332   7.750  -5.303
  354    H    THR  47           H        THR  47  -1.454  11.084  -5.248
  355    HA   THR  47           HA       THR  47   0.569  13.038  -4.395
  356    HB   THR  47           HB       THR  47   0.748  12.861  -6.747
  357    HG1  THR  47           HG1      THR  47   0.653  15.010  -6.154
  358   1HG2  THR  47          1HG2      THR  47  -1.656  13.523  -7.909
  359   2HG2  THR  47          2HG2      THR  47  -2.101  12.354  -6.666
  360   3HG2  THR  47          3HG2      THR  47  -0.905  11.928  -7.891
  361    H    GLN  48           H        GLN  48  -2.614  12.111  -4.040
  362    HA   GLN  48           HA       GLN  48  -3.271  14.369  -2.466
  363   1HB   GLN  48          2HB       GLN  48  -4.345  14.207  -5.238
  364   2HB   GLN  48          1HB       GLN  48  -5.404  14.796  -3.962
  365   1HG   GLN  48          2HG       GLN  48  -3.292  16.312  -3.436
  366   2HG   GLN  48          1HG       GLN  48  -2.989  16.029  -5.149
  367   1HE2  GLN  48          1HE2      GLN  48  -5.913  16.578  -3.213
  368   2HE2  GLN  48          2HE2      GLN  48  -6.506  17.890  -4.168
  369    H    ALA  49           H        ALA  49  -5.604  12.650  -4.378
  370    HA   ALA  49           HA       ALA  49  -7.104  11.760  -2.180
  371   1HB   ALA  49          1HB       ALA  49  -7.584  11.901  -4.824
  372   2HB   ALA  49          2HB       ALA  49  -8.560  10.948  -3.706
  373   3HB   ALA  49          3HB       ALA  49  -7.295  10.169  -4.657
  374    H    VAL  50           H        VAL  50  -7.648   9.112  -2.456
  375    HA   VAL  50           HA       VAL  50  -5.067   7.873  -1.763
  376    HB   VAL  50           HB       VAL  50  -7.817   7.096  -0.776
  377   1HG1  VAL  50          1HG1      VAL  50  -5.077   5.966  -0.213
  378   2HG1  VAL  50          2HG1      VAL  50  -6.461   5.132  -0.916
  379   3HG1  VAL  50          3HG1      VAL  50  -6.498   5.628   0.776
  380   1HG2  VAL  50          1HG2      VAL  50  -7.263   9.072   0.340
  381   2HG2  VAL  50          2HG2      VAL  50  -5.554   8.644   0.439
  382   3HG2  VAL  50          3HG2      VAL  50  -6.735   7.797   1.438
  383    H    ARG  51           H        ARG  51  -4.400   6.124  -2.787
  384    HA   ARG  51           HA       ARG  51  -6.228   4.849  -4.713
  385   1HB   ARG  51          2HB       ARG  51  -3.239   5.262  -4.895
  386   2HB   ARG  51          1HB       ARG  51  -4.187   4.329  -6.044
  387   1HG   ARG  51          2HG       ARG  51  -5.521   6.424  -6.463
  388   2HG   ARG  51          1HG       ARG  51  -4.303   7.283  -5.519
  389   1HD   ARG  51          2HD       ARG  51  -2.658   6.043  -7.165
  390   2HD   ARG  51          1HD       ARG  51  -4.087   6.006  -8.198
  391    HE   ARG  51           HE       ARG  51  -3.548   8.604  -7.114
  392   1HH1  ARG  51          2HH1      ARG  51  -2.752   6.378  -9.680
  393   2HH1  ARG  51          1HH1      ARG  51  -2.248   7.623 -10.774
  394   1HH2  ARG  51          1HH2      ARG  51  -2.888  10.244  -8.550
  395   2HH2  ARG  51          2HH2      ARG  51  -2.325   9.817 -10.131
  396    H    HIS  52           H        HIS  52  -6.889   3.052  -3.681
  397    HA   HIS  52           HA       HIS  52  -5.075   1.553  -1.998
  398   1HB   HIS  52          2HB       HIS  52  -7.937   0.927  -2.800
  399   2HB   HIS  52          1HB       HIS  52  -7.027   0.174  -1.488
  400    HD1  HIS  52           HD1      HIS  52  -6.511   1.630   0.577
  401    HD2  HIS  52           HD2      HIS  52  -8.996   3.439  -2.205
  402    HE1  HIS  52           HE1      HIS  52  -7.233   3.771   1.627
  403    HE2  HIS  52           HE2      HIS  52  -8.678   4.899  -0.095
  404    H    TYR  53           H        TYR  53  -4.645  -0.716  -2.294
  405    HA   TYR  53           HA       TYR  53  -4.967  -1.739  -5.013
  406   1HB   TYR  53          2HB       TYR  53  -2.261  -1.722  -3.692
  407   2HB   TYR  53          1HB       TYR  53  -2.650  -2.071  -5.373
  408    HD1  TYR  53           HD1      TYR  53  -3.979   0.001  -6.526
  409    HD2  TYR  53           HD2      TYR  53  -1.226   0.306  -3.298
  410    HE1  TYR  53           HE1      TYR  53  -3.528   2.334  -7.145
  411    HE2  TYR  53           HE2      TYR  53  -0.769   2.642  -3.907
  412    HH   TYR  53           HH       TYR  53  -1.819   4.013  -6.864
  413    H    LYS  54           H        LYS  54  -4.477  -3.982  -5.233
  414    HA   LYS  54           HA       LYS  54  -4.794  -5.482  -2.728
  415   1HB   LYS  54          2HB       LYS  54  -6.462  -5.602  -4.772
  416   2HB   LYS  54          1HB       LYS  54  -5.251  -6.696  -5.426
  417   1HG   LYS  54          2HG       LYS  54  -5.857  -7.375  -2.698
  418   2HG   LYS  54          1HG       LYS  54  -7.328  -7.312  -3.671
  419   1HD   LYS  54          2HD       LYS  54  -4.840  -8.901  -4.300
  420   2HD   LYS  54          1HD       LYS  54  -6.363  -9.550  -3.689
  421   1HE   LYS  54          2HE       LYS  54  -7.307  -9.533  -5.718
  422   2HE   LYS  54          1HE       LYS  54  -6.682  -7.928  -6.092
  423   1HZ   LYS  54          1HZ       LYS  54  -5.524 -10.550  -6.649
  424   2HZ   LYS  54          2HZ       LYS  54  -4.451  -9.294  -6.286
  425   3HZ   LYS  54          3HZ       LYS  54  -5.518  -9.143  -7.589
  426    H    ILE  55           H        ILE  55  -3.010  -6.445  -2.012
  427    HA   ILE  55           HA       ILE  55  -0.884  -7.120  -3.931
  428    HB   ILE  55           HB       ILE  55  -0.446  -7.252  -0.991
  429   1HG1  ILE  55          2HG1      ILE  55  -0.068  -4.590  -2.294
  430   2HG1  ILE  55          1HG1      ILE  55  -1.673  -5.020  -1.712
  431   1HG2  ILE  55          1HG2      ILE  55   1.562  -5.870  -2.490
  432   2HG2  ILE  55          2HG2      ILE  55   1.148  -7.391  -3.280
  433   3HG2  ILE  55          3HG2      ILE  55   1.673  -7.385  -1.597
  434   1HD1  ILE  55          1HD1      ILE  55  -0.198  -5.673   0.435
  435   2HD1  ILE  55          2HD1      ILE  55  -0.936  -4.091   0.181
  436   3HD1  ILE  55          3HD1      ILE  55   0.761  -4.348  -0.225
  437    H    TRP  56           H        TRP  56  -1.493  -9.118  -4.656
  438    HA   TRP  56           HA       TRP  56  -2.440 -11.135  -2.821
  439   1HB   TRP  56          2HB       TRP  56  -3.279 -10.776  -5.196
  440   2HB   TRP  56          1HB       TRP  56  -1.777 -11.515  -5.736
  441    HD1  TRP  56           HD1      TRP  56  -1.485 -14.146  -5.317
  442    HE1  TRP  56           HE1      TRP  56  -3.194 -16.008  -4.842
  443    HE3  TRP  56           HE3      TRP  56  -5.489 -11.254  -4.007
  444    HZ2  TRP  56           HZ2      TRP  56  -5.887 -16.223  -4.024
  445    HZ3  TRP  56           HZ3      TRP  56  -7.597 -12.365  -3.394
  446    HH2  TRP  56           HH2      TRP  56  -7.790 -14.799  -3.404
  447    H    ARG  57           H        ARG  57  -1.414 -12.950  -2.161
  448    HA   ARG  57           HA       ARG  57   1.485 -12.952  -2.373
  449   1HB   ARG  57          2HB       ARG  57   0.420 -13.247  -0.172
  450   2HB   ARG  57          1HB       ARG  57  -0.371 -14.705  -0.752
  451   1HG   ARG  57          2HG       ARG  57   1.890 -15.686  -1.140
  452   2HG   ARG  57          1HG       ARG  57   2.578 -14.266  -0.350
  453   1HD   ARG  57          2HD       ARG  57   1.001 -14.844   1.596
  454   2HD   ARG  57          1HD       ARG  57   0.845 -16.419   0.819
  455    HE   ARG  57           HE       ARG  57   3.532 -16.039   0.997
  456   1HH1  ARG  57          2HH1      ARG  57   0.910 -15.968   3.299
  457   2HH1  ARG  57          1HH1      ARG  57   1.891 -16.499   4.623
  458   1HH2  ARG  57          1HH2      ARG  57   4.825 -16.737   2.738
  459   2HH2  ARG  57          2HH2      ARG  57   4.114 -16.934   4.305
  460    H    ARG  58           H        ARG  58   2.682 -14.868  -2.926
  461    HA   ARG  58           HA       ARG  58   1.400 -16.343  -5.090
  462   1HB   ARG  58          2HB       ARG  58   4.199 -15.731  -4.297
  463   2HB   ARG  58          1HB       ARG  58   3.919 -17.199  -5.220
  464   1HG   ARG  58          2HG       ARG  58   2.547 -15.559  -6.761
  465   2HG   ARG  58          1HG       ARG  58   3.613 -14.360  -6.028
  466   1HD   ARG  58          2HD       ARG  58   5.504 -15.264  -6.972
  467   2HD   ARG  58          1HD       ARG  58   4.797 -16.874  -7.102
  468    HE   ARG  58           HE       ARG  58   3.520 -14.940  -8.790
  469   1HH1  ARG  58          2HH1      ARG  58   6.206 -17.153  -8.530
  470   2HH1  ARG  58          1HH1      ARG  58   6.388 -17.328 -10.242
  471   1HH2  ARG  58          1HH2      ARG  58   3.757 -15.170 -11.042
  472   2HH2  ARG  58          2HH2      ARG  58   4.997 -16.203 -11.669
  473    H    ALA  59           H        ALA  59   0.625 -17.024  -2.412
  474    HA   ALA  59           HA       ALA  59   0.412 -18.794  -0.982
  475   1HB   ALA  59          1HB       ALA  59   0.946 -20.696  -3.192
  476   2HB   ALA  59          2HB       ALA  59  -0.378 -19.551  -3.400
  477   3HB   ALA  59          3HB       ALA  59  -0.374 -20.655  -2.024
  478    H    GLY  60           H        GLY  60   2.723 -17.950  -0.329
  479   1HA   GLY  60          2HA       GLY  60   4.199 -19.923   0.757
  480   2HA   GLY  60          1HA       GLY  60   4.852 -19.839  -0.872
  481    H    GLY  61           H        GLY  61   4.915 -17.188  -1.415
  482   1HA   GLY  61          2HA       GLY  61   5.700 -15.364   0.464
  483   2HA   GLY  61          1HA       GLY  61   7.140 -16.331   0.183
  484    H    ARG  62           H        ARG  62   4.752 -14.247  -1.372
  485    HA   ARG  62           HA       ARG  62   6.593 -12.779  -2.832
  486   1HB   ARG  62          2HB       ARG  62   6.301 -15.300  -3.976
  487   2HB   ARG  62          1HB       ARG  62   5.287 -14.257  -4.965
  488   1HG   ARG  62          2HG       ARG  62   7.039 -13.221  -5.888
  489   2HG   ARG  62          1HG       ARG  62   7.921 -13.138  -4.362
  490   1HD   ARG  62          2HD       ARG  62   8.727 -15.355  -4.605
  491   2HD   ARG  62          1HD       ARG  62   7.622 -15.682  -5.941
  492    HE   ARG  62           HE       ARG  62   9.157 -14.767  -7.356
  493   1HH1  ARG  62          2HH1      ARG  62   9.836 -13.632  -4.125
  494   2HH1  ARG  62          1HH1      ARG  62  11.290 -12.811  -4.584
  495   1HH2  ARG  62          1HH2      ARG  62  11.068 -13.687  -7.961
  496   2HH2  ARG  62          2HH2      ARG  62  11.988 -12.841  -6.764
  497    H    LEU  63           H        LEU  63   5.481 -10.977  -2.694
  498    HA   LEU  63           HA       LEU  63   2.607 -10.954  -3.091
  499   1HB   LEU  63          2HB       LEU  63   4.601  -8.932  -2.126
  500   2HB   LEU  63          1HB       LEU  63   2.980  -8.447  -2.583
  501    HG   LEU  63           HG       LEU  63   3.199  -8.791  -0.157
  502   1HD1  LEU  63          1HD1      LEU  63   1.462 -10.986  -1.225
  503   2HD1  LEU  63          2HD1      LEU  63   1.088  -9.293  -1.544
  504   3HD1  LEU  63          3HD1      LEU  63   1.162  -9.881   0.117
  505   1HD2  LEU  63          1HD2      LEU  63   3.316 -11.722  -0.417
  506   2HD2  LEU  63          2HD2      LEU  63   4.027 -10.659   0.797
  507   3HD2  LEU  63          3HD2      LEU  63   4.818 -10.866  -0.765
  508    H    HIS  64           H        HIS  64   1.549  -9.775  -4.654
  509    HA   HIS  64           HA       HIS  64   3.030  -8.332  -6.654
  510   1HB   HIS  64          2HB       HIS  64   2.203  -9.741  -8.528
  511   2HB   HIS  64          1HB       HIS  64   3.352 -10.574  -7.487
  512    HD1  HIS  64           HD1      HIS  64  -0.002 -10.850  -8.899
  513    HD2  HIS  64           HD2      HIS  64   2.077 -12.478  -5.694
  514    HE1  HIS  64           HE1      HIS  64  -1.309 -12.885  -8.214
  515    HE2  HIS  64           HE2      HIS  64   0.075 -13.950  -6.399
  516    H    LEU  65           H        LEU  65   1.806  -6.543  -6.486
  517    HA   LEU  65           HA       LEU  65  -0.957  -6.553  -5.986
  518   1HB   LEU  65          2HB       LEU  65   0.851  -4.414  -7.084
  519   2HB   LEU  65          1HB       LEU  65  -0.840  -4.140  -6.709
  520    HG   LEU  65           HG       LEU  65  -0.246  -4.954  -4.338
  521   1HD1  LEU  65          1HD1      LEU  65   2.226  -4.239  -3.898
  522   2HD1  LEU  65          2HD1      LEU  65   2.438  -4.658  -5.598
  523   3HD1  LEU  65          3HD1      LEU  65   1.856  -5.869  -4.458
  524   1HD2  LEU  65          1HD2      LEU  65   1.013  -2.570  -4.075
  525   2HD2  LEU  65          2HD2      LEU  65  -0.732  -2.764  -4.222
  526   3HD2  LEU  65          3HD2      LEU  65   0.233  -2.366  -5.643
  527    H    ASN  66           H        ASN  66   0.870  -6.894  -8.842
  528    HA   ASN  66           HA       ASN  66  -1.551  -7.262 -10.399
  529   1HB   ASN  66          2HB       ASN  66   0.220  -4.945 -10.701
  530   2HB   ASN  66          1HB       ASN  66  -0.041  -5.826 -12.203
  531   1HD2  ASN  66          1HD2      ASN  66  -1.284  -4.288 -13.173
  532   2HD2  ASN  66          2HD2      ASN  66  -2.868  -3.863 -12.633
  533    H    GLU  67           H        GLU  67  -0.716  -7.768 -12.821
  534    HA   GLU  67           HA       GLU  67   0.912 -10.120 -12.511
  535   1HB   GLU  67          2HB       GLU  67  -0.261  -8.918 -15.023
  536   2HB   GLU  67          1HB       GLU  67   0.404 -10.538 -14.859
  537   1HG   GLU  67          2HG       GLU  67  -1.667 -11.206 -14.445
  538   2HG   GLU  67          1HG       GLU  67  -1.500 -10.427 -12.872
  539    H    ALA  68           H        ALA  68   1.752  -6.961 -12.822
  540    HA   ALA  68           HA       ALA  68   4.116  -7.570 -14.466
  541   1HB   ALA  68          1HB       ALA  68   2.499  -5.100 -14.105
  542   2HB   ALA  68          2HB       ALA  68   3.153  -5.818 -15.576
  543   3HB   ALA  68          3HB       ALA  68   4.216  -4.945 -14.473
  544    H    VAL  69           H        VAL  69   3.241  -7.374 -11.311
  545    HA   VAL  69           HA       VAL  69   5.950  -6.552 -10.516
  546    HB   VAL  69           HB       VAL  69   5.109  -5.393  -8.563
  547   1HG1  VAL  69          1HG1      VAL  69   3.364  -4.168 -10.599
  548   2HG1  VAL  69          2HG1      VAL  69   5.046  -4.419 -11.070
  549   3HG1  VAL  69          3HG1      VAL  69   4.664  -3.460  -9.640
  550   1HG2  VAL  69          1HG2      VAL  69   2.753  -5.055  -8.137
  551   2HG2  VAL  69          2HG2      VAL  69   3.088  -6.784  -8.226
  552   3HG2  VAL  69          3HG2      VAL  69   2.331  -5.961  -9.590
  553    H    SER  70           H        SER  70   6.902  -7.823  -8.979
  554    HA   SER  70           HA       SER  70   5.323  -9.610  -7.346
  555   1HB   SER  70          2HB       SER  70   7.403 -11.098  -8.828
  556   2HB   SER  70          1HB       SER  70   5.786 -11.602  -8.336
  557    HG   SER  70           HG       SER  70   4.939 -10.506 -10.096
  558    H    PHE  71           H        PHE  71   6.275  -9.892  -5.423
  559    HA   PHE  71           HA       PHE  71   9.156  -9.945  -5.161
  560   1HB   PHE  71          2HB       PHE  71   7.841  -7.468  -4.885
  561   2HB   PHE  71          1HB       PHE  71   8.268  -7.987  -3.256
  562    HD1  PHE  71           HD1      PHE  71   9.362  -5.808  -5.446
  563    HD2  PHE  71           HD2      PHE  71  10.770  -9.413  -3.682
  564    HE1  PHE  71           HE1      PHE  71  11.687  -5.086  -5.826
  565    HE2  PHE  71           HE2      PHE  71  13.092  -8.697  -4.053
  566    HZ   PHE  71           HZ       PHE  71  13.553  -6.530  -5.127
  567    H    LEU  72           H        LEU  72   9.671 -11.369  -3.792
  568    HA   LEU  72           HA       LEU  72   8.487 -13.211  -2.452
  569   1HB   LEU  72          2HB       LEU  72  10.154 -12.893  -0.539
  570   2HB   LEU  72          1HB       LEU  72  10.785 -13.087  -2.166
  571    HG   LEU  72           HG       LEU  72  10.639 -10.415  -2.110
  572   1HD1  LEU  72          1HD1      LEU  72  11.745 -10.332   0.478
  573   2HD1  LEU  72          2HD1      LEU  72  10.221 -11.207   0.619
  574   3HD1  LEU  72          3HD1      LEU  72  10.247  -9.592  -0.082
  575   1HD2  LEU  72          1HD2      LEU  72  12.955 -11.748  -0.748
  576   2HD2  LEU  72          2HD2      LEU  72  12.954 -10.405  -1.890
  577   3HD2  LEU  72          3HD2      LEU  72  12.608 -12.040  -2.453
  578    H    SER  73           H        SER  73   8.619  -9.947  -1.000
  579    HA   SER  73           HA       SER  73   6.248 -10.621   0.555
  580   1HB   SER  73          2HB       SER  73   8.472 -11.065   1.845
  581   2HB   SER  73          1HB       SER  73   8.521  -9.309   1.999
  582    HG   SER  73           HG       SER  73   7.046 -11.087   3.370
  583    H    LEU  74           H        LEU  74   5.953  -8.496   2.125
  584    HA   LEU  74           HA       LEU  74   5.116  -6.473   0.331
  585   1HB   LEU  74          2HB       LEU  74   5.132  -6.786   3.281
  586   2HB   LEU  74          1HB       LEU  74   4.815  -5.205   2.587
  587    HG   LEU  74           HG       LEU  74   3.255  -7.726   2.049
  588   1HD1  LEU  74          1HD1      LEU  74   2.570  -5.200   3.528
  589   2HD1  LEU  74          2HD1      LEU  74   2.872  -6.780   4.247
  590   3HD1  LEU  74          3HD1      LEU  74   1.469  -6.539   3.208
  591   1HD2  LEU  74          1HD2      LEU  74   3.139  -4.965   0.864
  592   2HD2  LEU  74          2HD2      LEU  74   1.726  -6.020   0.888
  593   3HD2  LEU  74          3HD2      LEU  74   3.186  -6.521   0.036
  594    HA   PRO  75           HA       PRO  75   8.536  -3.729   2.724
  595   1HB   PRO  75          2HB       PRO  75  10.669  -5.596   3.137
  596   2HB   PRO  75          1HB       PRO  75   9.791  -4.670   4.354
  597   1HG   PRO  75          2HG       PRO  75   9.418  -7.469   3.485
  598   2HG   PRO  75          1HG       PRO  75   9.017  -6.705   5.033
  599   1HD   PRO  75          2HD       PRO  75   7.120  -7.416   3.267
  600   2HD   PRO  75          1HD       PRO  75   6.958  -5.962   4.272
  601    H    GLU  76           H        GLU  76   9.215  -6.591   0.784
  602    HA   GLU  76           HA       GLU  76  11.132  -5.143  -0.852
  603   1HB   GLU  76          2HB       GLU  76  10.089  -7.964  -1.169
  604   2HB   GLU  76          1HB       GLU  76  11.458  -7.257  -2.015
  605   1HG   GLU  76          2HG       GLU  76  11.242  -7.955   0.895
  606   2HG   GLU  76          1HG       GLU  76  12.341  -8.623  -0.310
  607    H    LEU  77           H        LEU  77   7.820  -6.324  -0.946
  608    HA   LEU  77           HA       LEU  77   7.389  -5.957  -3.714
  609   1HB   LEU  77          2HB       LEU  77   5.772  -7.246  -2.659
  610   2HB   LEU  77          1HB       LEU  77   5.633  -6.147  -1.307
  611    HG   LEU  77           HG       LEU  77   3.669  -6.317  -2.949
  612   1HD1  LEU  77          1HD1      LEU  77   2.964  -4.378  -2.089
  613   2HD1  LEU  77          2HD1      LEU  77   4.317  -3.472  -2.765
  614   3HD1  LEU  77          3HD1      LEU  77   4.517  -4.359  -1.254
  615   1HD2  LEU  77          1HD2      LEU  77   5.726  -5.460  -4.737
  616   2HD2  LEU  77          2HD2      LEU  77   4.489  -4.208  -4.638
  617   3HD2  LEU  77          3HD2      LEU  77   4.045  -5.854  -5.085
  618    H    VAL  78           H        VAL  78   7.012  -3.813  -0.924
  619    HA   VAL  78           HA       VAL  78   5.980  -1.624  -2.439
  620    HB   VAL  78           HB       VAL  78   7.264  -1.665   0.300
  621   1HG1  VAL  78          1HG1      VAL  78   7.138   0.552   0.380
  622   2HG1  VAL  78          2HG1      VAL  78   5.456   0.527  -0.151
  623   3HG1  VAL  78          3HG1      VAL  78   6.757   0.550  -1.340
  624   1HG2  VAL  78          1HG2      VAL  78   4.674  -2.460  -0.646
  625   2HG2  VAL  78          2HG2      VAL  78   4.516  -1.087   0.448
  626   3HG2  VAL  78          3HG2      VAL  78   5.342  -2.551   0.983
  627    H    ASN  79           H        ASN  79   9.171  -2.708  -1.442
  628    HA   ASN  79           HA       ASN  79  10.692  -0.451  -1.955
  629   1HB   ASN  79          2HB       ASN  79  11.415  -2.768  -1.055
  630   2HB   ASN  79          1HB       ASN  79  11.634  -3.199  -2.748
  631   1HD2  ASN  79          1HD2      ASN  79  12.969  -1.595  -4.013
  632   2HD2  ASN  79          2HD2      ASN  79  14.382  -0.980  -3.231
  633    H    TYR  80           H        TYR  80   9.565  -2.947  -4.198
  634    HA   TYR  80           HA       TYR  80  10.824  -1.844  -6.499
  635   1HB   TYR  80          2HB       TYR  80  10.136  -4.191  -6.439
  636   2HB   TYR  80          1HB       TYR  80   8.453  -3.713  -6.255
  637    HD1  TYR  80           HD1      TYR  80  11.278  -3.936  -8.591
  638    HD2  TYR  80           HD2      TYR  80   7.166  -2.935  -8.145
  639    HE1  TYR  80           HE1      TYR  80  11.019  -3.933 -11.037
  640    HE2  TYR  80           HE2      TYR  80   6.896  -2.929 -10.589
  641    HH   TYR  80           HH       TYR  80   9.570  -3.038 -12.735
  642    H    HIS  81           H        HIS  81   7.752  -1.398  -4.897
  643    HA   HIS  81           HA       HIS  81   6.443   0.031  -6.957
  644   1HB   HIS  81          2HB       HIS  81   5.975  -0.553  -4.113
  645   2HB   HIS  81          1HB       HIS  81   5.317   0.989  -4.651
  646    HD1  HIS  81           HD1      HIS  81   4.332   0.248  -7.424
  647    HD2  HIS  81           HD2      HIS  81   3.739  -2.112  -4.062
  648    HE1  HIS  81           HE1      HIS  81   2.383  -1.230  -7.985
  649    HE2  HIS  81           HE2      HIS  81   2.183  -2.783  -6.022
  650    H    ARG  82           H        ARG  82   8.394   1.048  -4.176
  651    HA   ARG  82           HA       ARG  82   8.015   3.787  -4.489
  652   1HB   ARG  82          2HB       ARG  82   8.943   2.959  -2.437
  653   2HB   ARG  82          1HB       ARG  82  10.307   2.254  -3.290
  654   1HG   ARG  82          2HG       ARG  82  11.130   4.474  -3.851
  655   2HG   ARG  82          1HG       ARG  82   9.744   5.203  -3.036
  656   1HD   ARG  82          2HD       ARG  82  11.028   5.258  -1.212
  657   2HD   ARG  82          1HD       ARG  82  10.783   3.514  -1.124
  658    HE   ARG  82           HE       ARG  82  12.897   3.747  -2.789
  659   1HH1  ARG  82          2HH1      ARG  82  12.216   5.040   0.381
  660   2HH1  ARG  82          1HH1      ARG  82  13.881   5.074   0.860
  661   1HH2  ARG  82          1HH2      ARG  82  15.083   3.791  -2.161
  662   2HH2  ARG  82          2HH2      ARG  82  15.509   4.364  -0.582
  663    H    ALA  83           H        ALA  83  10.280   1.626  -5.934
  664    HA   ALA  83           HA       ALA  83  11.772   3.682  -7.250
  665   1HB   ALA  83          1HB       ALA  83  12.802   1.840  -8.506
  666   2HB   ALA  83          2HB       ALA  83  11.624   0.718  -7.824
  667   3HB   ALA  83          3HB       ALA  83  12.796   1.514  -6.773
  668    H    GLN  84           H        GLN  84   9.740   1.091  -8.528
  669    HA   GLN  84           HA       GLN  84   9.036   2.773 -10.817
  670   1HB   GLN  84          2HB       GLN  84   9.373  -0.106 -10.397
  671   2HB   GLN  84          1HB       GLN  84   7.932   0.304 -11.318
  672   1HG   GLN  84          2HG       GLN  84   9.138   1.221 -13.055
  673   2HG   GLN  84          1HG       GLN  84  10.556   1.519 -12.050
  674   1HE2  GLN  84          1HE2      GLN  84   9.137  -0.517 -14.302
  675   2HE2  GLN  84          2HE2      GLN  84  10.241  -1.840 -14.188
  676    H    SER  85           H        SER  85   7.001   3.471 -11.219
  677    HA   SER  85           HA       SER  85   4.978   2.907  -9.175
  678   1HB   SER  85          2HB       SER  85   4.058   4.797 -11.128
  679   2HB   SER  85          1HB       SER  85   4.405   5.061  -9.419
  680    HG   SER  85           HG       SER  85   5.800   6.375 -10.440
  681    H    LEU  86           H        LEU  86   5.580   0.832 -10.924
  682    HA   LEU  86           HA       LEU  86   4.146   0.581 -13.246
  683   1HB   LEU  86          2HB       LEU  86   5.794  -1.037 -12.205
  684   2HB   LEU  86          1HB       LEU  86   4.455  -1.652 -11.257
  685    HG   LEU  86           HG       LEU  86   4.048  -1.542 -14.188
  686   1HD1  LEU  86          1HD1      LEU  86   5.502  -3.171 -14.795
  687   2HD1  LEU  86          2HD1      LEU  86   5.515  -3.912 -13.195
  688   3HD1  LEU  86          3HD1      LEU  86   6.454  -2.451 -13.496
  689   1HD2  LEU  86          1HD2      LEU  86   3.541  -3.973 -12.612
  690   2HD2  LEU  86          2HD2      LEU  86   2.510  -3.131 -13.768
  691   3HD2  LEU  86          3HD2      LEU  86   2.639  -2.543 -12.111
  692    H    SER  87           H        SER  87   2.984  -0.945 -10.228
  693    HA   SER  87           HA       SER  87   0.247  -0.406 -11.175
  694   1HB   SER  87          2HB       SER  87   0.706  -2.777 -11.153
  695   2HB   SER  87          1HB       SER  87   1.293  -2.688  -9.493
  696    HG   SER  87           HG       SER  87  -1.349  -2.372 -10.445
  697    H    HIS  88           H        HIS  88   1.925   1.359  -9.468
  698    HA   HIS  88           HA       HIS  88   0.292   1.300  -7.033
  699   1HB   HIS  88          2HB       HIS  88   2.446   1.199  -6.229
  700   2HB   HIS  88          1HB       HIS  88   3.092   2.185  -7.534
  701    HD1  HIS  88           HD1      HIS  88   4.305   3.669  -5.753
  702    HD2  HIS  88           HD2      HIS  88   0.171   3.705  -5.501
  703    HE1  HIS  88           HE1      HIS  88   3.731   5.629  -4.279
  704    HE2  HIS  88           HE2      HIS  88   1.232   5.748  -4.340
  705    H    GLY  89           H        GLY  89   2.038   4.090  -8.166
  706   1HA   GLY  89          2HA       GLY  89   0.157   5.441  -9.616
  707   2HA   GLY  89          1HA       GLY  89  -0.339   5.682  -7.950
  708    H    LEU  90           H        LEU  90   2.160   5.952  -6.721
  709    HA   LEU  90           HA       LEU  90   3.480   8.146  -8.127
  710   1HB   LEU  90          2HB       LEU  90   1.525   8.932  -6.627
  711   2HB   LEU  90          1HB       LEU  90   2.602   8.562  -5.294
  712    HG   LEU  90           HG       LEU  90   4.195  10.110  -6.913
  713   1HD1  LEU  90          1HD1      LEU  90   1.344  11.003  -7.162
  714   2HD1  LEU  90          2HD1      LEU  90   2.562  10.816  -8.424
  715   3HD1  LEU  90          3HD1      LEU  90   2.686  12.142  -7.267
  716   1HD2  LEU  90          1HD2      LEU  90   3.239  10.148  -4.335
  717   2HD2  LEU  90          2HD2      LEU  90   2.651  11.672  -5.000
  718   3HD2  LEU  90          3HD2      LEU  90   4.375  11.302  -5.033
  719    H    ARG  91           H        ARG  91   4.241   5.418  -7.213
  720    HA   ARG  91           HA       ARG  91   6.032   4.360  -6.277
  721   1HB   ARG  91          2HB       ARG  91   7.062   7.139  -6.722
  722   2HB   ARG  91          1HB       ARG  91   8.075   5.938  -5.938
  723   1HG   ARG  91          2HG       ARG  91   7.922   4.498  -7.878
  724   2HG   ARG  91          1HG       ARG  91   6.822   5.636  -8.658
  725   1HD   ARG  91          2HD       ARG  91   9.699   6.138  -7.907
  726   2HD   ARG  91          1HD       ARG  91   9.065   5.905  -9.535
  727    HE   ARG  91           HE       ARG  91   7.753   8.070  -8.281
  728   1HH1  ARG  91          2HH1      ARG  91  10.809   7.196  -9.724
  729   2HH1  ARG  91          1HH1      ARG  91  11.195   8.818 -10.188
  730   1HH2  ARG  91          1HH2      ARG  91   8.262  10.204  -8.889
  731   2HH2  ARG  91          2HH2      ARG  91   9.752  10.526  -9.713
  732    H    LEU  92           H        LEU  92   5.510   3.645  -4.280
  733    HA   LEU  92           HA       LEU  92   4.725   4.961  -2.040
  734   1HB   LEU  92          2HB       LEU  92   6.323   2.481  -2.440
  735   2HB   LEU  92          1HB       LEU  92   6.072   3.075  -0.816
  736    HG   LEU  92           HG       LEU  92   4.056   2.131  -0.720
  737   1HD1  LEU  92          1HD1      LEU  92   3.249   4.154  -2.077
  738   2HD1  LEU  92          2HD1      LEU  92   2.215   2.735  -1.975
  739   3HD1  LEU  92          3HD1      LEU  92   3.174   3.019  -3.422
  740   1HD2  LEU  92          1HD2      LEU  92   5.422   0.765  -2.697
  741   2HD2  LEU  92          2HD2      LEU  92   3.778   0.946  -3.306
  742   3HD2  LEU  92          3HD2      LEU  92   4.062   0.192  -1.738
  743    H    ALA  93           H        ALA  93   5.600   6.789  -1.243
  744    HA   ALA  93           HA       ALA  93   8.515   7.016  -1.069
  745   1HB   ALA  93          1HB       ALA  93   6.337   9.078  -0.824
  746   2HB   ALA  93          2HB       ALA  93   7.473   8.864  -2.155
  747   3HB   ALA  93          3HB       ALA  93   8.051   9.417  -0.583
  748    H    ALA  94           H        ALA  94   6.066   8.468   1.057
  749    HA   ALA  94           HA       ALA  94   7.668   7.613   3.358
  750   1HB   ALA  94          1HB       ALA  94   6.326  10.011   2.694
  751   2HB   ALA  94          2HB       ALA  94   7.272   9.650   4.137
  752   3HB   ALA  94          3HB       ALA  94   5.536   9.342   4.121
  753    HA   PRO  95           HA       PRO  95   4.396   5.051   4.950
  754   1HB   PRO  95          2HB       PRO  95   4.491   5.394   7.585
  755   2HB   PRO  95          1HB       PRO  95   5.901   4.796   6.707
  756   1HG   PRO  95          2HG       PRO  95   5.372   7.509   7.811
  757   2HG   PRO  95          1HG       PRO  95   6.899   6.619   7.702
  758   1HD   PRO  95          2HD       PRO  95   5.997   8.617   5.935
  759   2HD   PRO  95          1HD       PRO  95   7.359   7.512   5.668
  760    H    CYS  96           H        CYS  96   2.308   4.854   5.990
  761    HA   CYS  96           HA       CYS  96   0.667   7.189   5.632
  762   1HB   CYS  96          2HB       CYS  96  -0.019   4.806   5.075
  763   2HB   CYS  96          1HB       CYS  96  -0.194   4.547   6.808
  764    HG   CYS  96           HG       CYS  96  -2.370   5.667   6.747
  765    H    ARG  97           H        ARG  97  -0.499   8.303   7.222
  766    HA   ARG  97           HA       ARG  97  -0.191   7.599  10.009
  767   1HB   ARG  97          2HB       ARG  97   0.853  10.285   9.118
  768   2HB   ARG  97          1HB       ARG  97   0.966   9.559  10.715
  769   1HG   ARG  97          2HG       ARG  97   2.450   7.817   9.764
  770   2HG   ARG  97          1HG       ARG  97   2.408   8.679   8.224
  771   1HD   ARG  97          2HD       ARG  97   3.566   9.586  10.845
  772   2HD   ARG  97          1HD       ARG  97   4.387   9.378   9.299
  773    HE   ARG  97           HE       ARG  97   2.556  11.288   8.761
  774   1HH1  ARG  97          2HH1      ARG  97   4.961  10.946  11.267
  775   2HH1  ARG  97          1HH1      ARG  97   5.204  12.651  11.441
  776   1HH2  ARG  97          1HH2      ARG  97   2.875  13.531   8.988
  777   2HH2  ARG  97          2HH2      ARG  97   4.019  14.120  10.148
  778    H    LYS  98           H        LYS  98  -0.928   9.939  11.205
  779    HA   LYS  98           HA       LYS  98  -3.080  11.263   9.906
  780   1HB   LYS  98          2HB       LYS  98  -3.659   8.772  11.296
  781   2HB   LYS  98          1HB       LYS  98  -4.562  10.123  11.966
  782   1HG   LYS  98          2HG       LYS  98  -5.376  10.655   9.694
  783   2HG   LYS  98          1HG       LYS  98  -4.545   9.217   9.097
  784   1HD   LYS  98          2HD       LYS  98  -6.504   8.187   9.490
  785   2HD   LYS  98          1HD       LYS  98  -5.976   8.193  11.173
  786   1HE   LYS  98          2HE       LYS  98  -8.200   9.041  11.122
  787   2HE   LYS  98          1HE       LYS  98  -7.123  10.402  11.435
  788   1HZ   LYS  98          1HZ       LYS  98  -7.268  10.475   8.777
  789   2HZ   LYS  98          2HZ       LYS  98  -8.309  11.339   9.791
  790   3HZ   LYS  98          3HZ       LYS  98  -8.805   9.861   9.134
  791    H    HIS  99           H        HIS  99  -2.068  10.162  13.143
  792    HA   HIS  99           HA       HIS  99  -1.635  11.290  15.069
  793   1HB   HIS  99          2HB       HIS  99  -0.294  12.661  13.198
  794   2HB   HIS  99          1HB       HIS  99  -1.421  13.919  13.695
  795    HD1  HIS  99           HD1      HIS  99   1.339  11.744  15.065
  796    HD2  HIS  99           HD2      HIS  99  -0.856  15.113  16.114
  797    HE1  HIS  99           HE1      HIS  99   2.471  12.676  17.107
  798    HE2  HIS  99           HE2      HIS  99   1.078  14.667  17.772
  799    H    GLU 100           HN       GLU 100  -2.507  12.909  16.570
  800    HA   GLU 100           HA       GLU 100  -5.064  14.079  15.766
  801   1HB   GLU 100          2HB       GLU 100  -4.657  11.949  17.810
  802   2HB   GLU 100          1HB       GLU 100  -5.843  13.202  18.150
  803   1HG   GLU 100          2HG       GLU 100  -6.447  12.469  15.574
  804   2HG   GLU 100          1HG       GLU 100  -5.976  10.945  16.324
  Start of MODEL   18
    1   1H    SER   1          1H        SER   1  10.363   0.438   7.661
    2   2H    SER   1          2H        SER   1  10.031  -0.506   9.054
    3   3H    SER   1          3H        SER   1  10.045   1.206   9.160
    4    HA   SER   1           HA       SER   1   8.137  -0.485   7.694
    5   1HB   SER   1          2HB       SER   1   6.732   1.096   9.420
    6   2HB   SER   1          1HB       SER   1   7.268  -0.543   9.791
    7    HG   SER   1           HG       SER   1   8.635   1.865  10.419
    8    H    GLU   2           H        GLU   2   8.872   0.754   5.774
    9    HA   GLU   2           HA       GLU   2   8.508   3.554   5.589
   10   1HB   GLU   2          2HB       GLU   2   9.628   1.635   3.996
   11   2HB   GLU   2          1HB       GLU   2   8.161   2.016   3.107
   12   1HG   GLU   2          2HG       GLU   2   8.774   4.330   2.972
   13   2HG   GLU   2          1HG       GLU   2  10.160   4.066   4.028
   14    HA   PRO   3           HA       PRO   3   4.180   2.528   3.745
   15   1HB   PRO   3          2HB       PRO   3   3.269   0.012   3.797
   16   2HB   PRO   3          1HB       PRO   3   4.455   0.489   2.587
   17   1HG   PRO   3          2HG       PRO   3   4.876  -0.987   5.148
   18   2HG   PRO   3          1HG       PRO   3   5.547  -1.324   3.540
   19   1HD   PRO   3          2HD       PRO   3   6.902   0.007   5.516
   20   2HD   PRO   3          1HD       PRO   3   7.218   0.224   3.783
   21    H    TRP   4           H        TRP   4   5.001   0.456   6.513
   22    HA   TRP   4           HA       TRP   4   4.166   0.356   8.632
   23   1HB   TRP   4          2HB       TRP   4   2.823   2.806   7.649
   24   2HB   TRP   4          1HB       TRP   4   1.978   1.951   8.932
   25    HD1  TRP   4           HD1      TRP   4   5.466   3.485   8.248
   26    HE1  TRP   4           HE1      TRP   4   6.433   4.295  10.490
   27    HE3  TRP   4           HE3      TRP   4   1.776   1.822  11.372
   28    HZ2  TRP   4           HZ2      TRP   4   5.727   4.238  13.221
   29    HZ3  TRP   4           HZ3      TRP   4   1.999   2.241  13.787
   30    HH2  TRP   4           HH2      TRP   4   3.935   3.424  14.690
   31    H    PHE   5           H        PHE   5   3.530  -1.731   8.236
   32    HA   PHE   5           HA       PHE   5   1.161  -2.432   6.843
   33   1HB   PHE   5          2HB       PHE   5   2.444  -4.219   8.891
   34   2HB   PHE   5          1HB       PHE   5   1.663  -4.655   7.375
   35    HD1  PHE   5           HD1      PHE   5   4.743  -4.135   9.005
   36    HD2  PHE   5           HD2      PHE   5   2.840  -3.826   5.212
   37    HE1  PHE   5           HE1      PHE   5   6.941  -4.203   7.902
   38    HE2  PHE   5           HE2      PHE   5   5.035  -3.892   4.101
   39    HZ   PHE   5           HZ       PHE   5   7.089  -4.082   5.446
   40    H    PHE   6           H        PHE   6  -0.854  -2.350   7.473
   41    HA   PHE   6           HA       PHE   6  -1.495  -2.592  10.331
   42   1HB   PHE   6          2HB       PHE   6  -1.873  -0.275   8.663
   43   2HB   PHE   6          1HB       PHE   6  -3.441  -0.903   9.159
   44    HD1  PHE   6           HD1      PHE   6  -0.507   0.907  10.159
   45    HD2  PHE   6           HD2      PHE   6  -3.910  -1.198  11.607
   46    HE1  PHE   6           HE1      PHE   6  -0.238   1.990  12.352
   47    HE2  PHE   6           HE2      PHE   6  -3.649  -0.117  13.803
   48    HZ   PHE   6           HZ       PHE   6  -1.811   1.479  14.176
   49    H    GLY   7           H        GLY   7  -2.238  -4.687  10.132
   50   1HA   GLY   7          2HA       GLY   7  -4.026  -5.429   8.005
   51   2HA   GLY   7          1HA       GLY   7  -3.490  -6.453   9.326
   52    H    CYS   8           H        CYS   8  -4.742  -3.421  10.308
   53    HA   CYS   8           HA       CYS   8  -7.301  -4.711  10.865
   54   1HB   CYS   8          2HB       CYS   8  -5.621  -4.318  12.825
   55   2HB   CYS   8          1HB       CYS   8  -6.184  -2.653  12.726
   56    HG   CYS   8           HG       CYS   8  -8.655  -3.769  13.117
   57    H    ILE   9           H        ILE   9  -5.823  -2.146   9.327
   58    HA   ILE   9           HA       ILE   9  -7.895  -0.185   9.757
   59    HB   ILE   9           HB       ILE   9  -6.766   1.133   8.012
   60   1HG1  ILE   9          2HG1      ILE   9  -5.077  -1.347   7.745
   61   2HG1  ILE   9          1HG1      ILE   9  -5.990  -0.516   6.492
   62   1HG2  ILE   9          1HG2      ILE   9  -4.628   1.464   9.189
   63   2HG2  ILE   9          2HG2      ILE   9  -4.925  -0.016  10.101
   64   3HG2  ILE   9          3HG2      ILE   9  -6.003   1.366  10.288
   65   1HD1  ILE   9          1HD1      ILE   9  -3.614  -0.117   6.271
   66   2HD1  ILE   9          2HD1      ILE   9  -3.566   0.555   7.900
   67   3HD1  ILE   9          3HD1      ILE   9  -4.484   1.369   6.642
   68    H    SER  10           H        SER  10  -9.658   0.180   8.552
   69    HA   SER  10           HA       SER  10 -10.205  -1.678   6.361
   70   1HB   SER  10          2HB       SER  10 -11.777  -0.837   8.449
   71   2HB   SER  10          1HB       SER  10 -12.333   0.199   7.135
   72    HG   SER  10           HG       SER  10 -12.479  -1.838   5.897
   73    H    ARG  11           H        ARG  11 -11.565  -0.676   4.523
   74    HA   ARG  11           HA       ARG  11  -9.990   1.131   3.120
   75   1HB   ARG  11          2HB       ARG  11 -11.623  -0.387   2.064
   76   2HB   ARG  11          1HB       ARG  11 -12.932   0.583   2.729
   77   1HG   ARG  11          2HG       ARG  11 -12.680   2.223   1.196
   78   2HG   ARG  11          1HG       ARG  11 -10.931   2.018   1.101
   79   1HD   ARG  11          2HD       ARG  11 -11.082   0.602  -0.626
   80   2HD   ARG  11          1HD       ARG  11 -12.423  -0.282   0.102
   81    HE   ARG  11           HE       ARG  11 -12.587   1.811  -1.849
   82   1HH1  ARG  11          2HH1      ARG  11 -14.278   0.225   0.759
   83   2HH1  ARG  11          1HH1      ARG  11 -15.847   0.669   0.179
   84   1HH2  ARG  11          1HH2      ARG  11 -14.652   2.397  -2.613
   85   2HH2  ARG  11          2HH2      ARG  11 -16.060   1.902  -1.735
   86    H    SER  12           H        SER  12 -12.376   1.693   5.493
   87    HA   SER  12           HA       SER  12 -13.041   4.365   4.796
   88   1HB   SER  12          2HB       SER  12 -14.299   2.729   6.363
   89   2HB   SER  12          1HB       SER  12 -13.179   3.294   7.603
   90    HG   SER  12           HG       SER  12 -14.006   5.312   7.447
   91    H    GLU  13           H        GLU  13 -10.665   2.938   7.008
   92    HA   GLU  13           HA       GLU  13  -9.752   5.494   7.943
   93   1HB   GLU  13          2HB       GLU  13  -8.171   2.960   8.209
   94   2HB   GLU  13          1HB       GLU  13  -8.244   4.336   9.299
   95   1HG   GLU  13          2HG       GLU  13 -10.703   3.659   9.646
   96   2HG   GLU  13          1HG       GLU  13 -10.222   2.122   8.931
   97    H    ALA  14           H        ALA  14  -8.318   2.974   5.863
   98    HA   ALA  14           HA       ALA  14  -5.957   4.322   5.279
   99   1HB   ALA  14          1HB       ALA  14  -5.809   2.853   3.306
  100   2HB   ALA  14          2HB       ALA  14  -7.476   2.347   3.585
  101   3HB   ALA  14          3HB       ALA  14  -6.231   1.980   4.779
  102    H    VAL  15           H        VAL  15  -9.162   4.930   4.144
  103    HA   VAL  15           HA       VAL  15  -8.301   6.357   1.786
  104    HB   VAL  15           HB       VAL  15 -10.703   5.250   2.548
  105   1HG1  VAL  15          1HG1      VAL  15 -11.262   7.145   3.973
  106   2HG1  VAL  15          2HG1      VAL  15 -12.356   7.031   2.596
  107   3HG1  VAL  15          3HG1      VAL  15 -11.069   8.236   2.602
  108   1HG2  VAL  15          1HG2      VAL  15 -11.243   5.566   0.387
  109   2HG2  VAL  15          2HG2      VAL  15  -9.567   6.101   0.272
  110   3HG2  VAL  15          3HG2      VAL  15 -10.862   7.288   0.433
  111    H    ARG  16           H        ARG  16  -9.570   7.224   4.984
  112    HA   ARG  16           HA       ARG  16  -9.127  10.044   4.489
  113   1HB   ARG  16          2HB       ARG  16 -10.148   8.508   6.874
  114   2HB   ARG  16          1HB       ARG  16  -9.875  10.245   6.914
  115   1HG   ARG  16          2HG       ARG  16 -11.423  10.326   4.864
  116   2HG   ARG  16          1HG       ARG  16 -11.895   8.695   5.342
  117   1HD   ARG  16          2HD       ARG  16 -13.194   9.471   6.975
  118   2HD   ARG  16          1HD       ARG  16 -11.894  10.479   7.610
  119    HE   ARG  16           HE       ARG  16 -14.061  11.307   5.914
  120   1HH1  ARG  16          2HH1      ARG  16 -10.809  12.026   6.956
  121   2HH1  ARG  16          1HH1      ARG  16 -10.925  13.710   6.568
  122   1HH2  ARG  16          1HH2      ARG  16 -14.215  13.521   5.404
  123   2HH2  ARG  16          2HH2      ARG  16 -12.858  14.559   5.689
  124    H    ARG  17           H        ARG  17  -7.365   7.419   5.653
  125    HA   ARG  17           HA       ARG  17  -5.632   8.841   7.441
  126   1HB   ARG  17          2HB       ARG  17  -6.023   6.442   7.744
  127   2HB   ARG  17          1HB       ARG  17  -5.357   6.114   6.150
  128   1HG   ARG  17          2HG       ARG  17  -3.210   6.370   6.839
  129   2HG   ARG  17          1HG       ARG  17  -3.628   7.566   8.067
  130   1HD   ARG  17          2HD       ARG  17  -4.885   5.359   9.028
  131   2HD   ARG  17          1HD       ARG  17  -3.479   4.636   8.247
  132    HE   ARG  17           HE       ARG  17  -2.822   6.868   9.924
  133   1HH1  ARG  17          2HH1      ARG  17  -3.444   3.436   9.876
  134   2HH1  ARG  17          1HH1      ARG  17  -2.537   3.124  11.317
  135   1HH2  ARG  17          1HH2      ARG  17  -1.627   6.461  11.819
  136   2HH2  ARG  17          2HH2      ARG  17  -1.505   4.841  12.421
  137    H    LEU  18           H        LEU  18  -5.402   7.577   4.143
  138    HA   LEU  18           HA       LEU  18  -2.777   8.522   3.665
  139   1HB   LEU  18          2HB       LEU  18  -4.975   7.447   1.996
  140   2HB   LEU  18          1HB       LEU  18  -3.644   8.264   1.202
  141    HG   LEU  18           HG       LEU  18  -3.323   5.853   1.238
  142   1HD1  LEU  18          1HD1      LEU  18  -1.445   7.646   1.601
  143   2HD1  LEU  18          2HD1      LEU  18  -1.082   5.925   1.724
  144   3HD1  LEU  18          3HD1      LEU  18  -1.318   6.882   3.183
  145   1HD2  LEU  18          1HD2      LEU  18  -2.680   5.565   4.033
  146   2HD2  LEU  18          2HD2      LEU  18  -3.722   4.576   3.010
  147   3HD2  LEU  18          3HD2      LEU  18  -4.370   6.005   3.808
  148    H    GLN  19           H        GLN  19  -5.958   9.743   3.086
  149    HA   GLN  19           HA       GLN  19  -5.173  12.045   1.604
  150   1HB   GLN  19          2HB       GLN  19  -7.646  10.858   2.526
  151   2HB   GLN  19          1HB       GLN  19  -7.662  12.601   2.757
  152   1HG   GLN  19          2HG       GLN  19  -7.087  12.909   0.396
  153   2HG   GLN  19          1HG       GLN  19  -7.114  11.160   0.172
  154   1HE2  GLN  19          1HE2      GLN  19  -9.119  10.058   0.406
  155   2HE2  GLN  19          2HE2      GLN  19 -10.612  10.889   0.153
  156    H    ALA  20           H        ALA  20  -5.228  11.308   4.966
  157    HA   ALA  20           HA       ALA  20  -5.727  13.697   6.216
  158   1HB   ALA  20          1HB       ALA  20  -5.004  11.406   7.184
  159   2HB   ALA  20          2HB       ALA  20  -4.575  12.879   8.055
  160   3HB   ALA  20          3HB       ALA  20  -3.370  12.059   7.063
  161    H    GLU  21           H        GLU  21  -3.974  15.152   7.285
  162    HA   GLU  21           HA       GLU  21  -2.334  16.138   5.111
  163   1HB   GLU  21          2HB       GLU  21  -2.748  17.431   7.800
  164   2HB   GLU  21          1HB       GLU  21  -2.113  18.193   6.349
  165   1HG   GLU  21          2HG       GLU  21  -4.191  18.299   5.337
  166   2HG   GLU  21          1HG       GLU  21  -4.866  17.036   6.365
  167    H    GLY  22           H        GLY  22  -1.789  13.819   6.899
  168   1HA   GLY  22          2HA       GLY  22   0.839  14.564   7.962
  169   2HA   GLY  22          1HA       GLY  22  -0.012  13.060   8.293
  170    H    ASN  23           H        ASN  23  -0.564  13.325   5.187
  171    HA   ASN  23           HA       ASN  23   1.834  11.809   4.421
  172   1HB   ASN  23          2HB       ASN  23  -0.998  11.784   3.389
  173   2HB   ASN  23          1HB       ASN  23   0.325  10.937   2.596
  174   1HD2  ASN  23          1HD2      ASN  23  -0.985   9.037   2.997
  175   2HD2  ASN  23          2HD2      ASN  23  -0.897   8.257   4.536
  176    H    ALA  24           H        ALA  24   3.221  12.708   3.090
  177    HA   ALA  24           HA       ALA  24   2.337  14.987   1.472
  178   1HB   ALA  24          1HB       ALA  24   5.221  14.386   1.719
  179   2HB   ALA  24          2HB       ALA  24   4.395  14.943   3.174
  180   3HB   ALA  24          3HB       ALA  24   4.382  15.937   1.717
  181    H    THR  25           H        THR  25   1.371  13.115   0.209
  182    HA   THR  25           HA       THR  25   1.272  11.852  -1.637
  183    HB   THR  25           HB       THR  25   2.760  12.535  -3.534
  184    HG1  THR  25           HG1      THR  25   4.458  13.205  -1.872
  185   1HG2  THR  25          1HG2      THR  25   1.797  14.636  -3.883
  186   2HG2  THR  25          2HG2      THR  25   1.689  14.971  -2.155
  187   3HG2  THR  25          3HG2      THR  25   0.634  13.761  -2.887
  188    H    GLY  26           H        GLY  26   1.871   9.893  -2.344
  189   1HA   GLY  26          2HA       GLY  26   3.279   8.056  -2.717
  190   2HA   GLY  26          1HA       GLY  26   4.585   8.916  -1.910
  191    H    ALA  27           H        ALA  27   2.655   9.564   0.342
  192    HA   ALA  27           HA       ALA  27   3.386   7.708   2.207
  193   1HB   ALA  27          1HB       ALA  27   2.224   9.829   2.703
  194   2HB   ALA  27          2HB       ALA  27   1.490   8.456   3.533
  195   3HB   ALA  27          3HB       ALA  27   0.726   9.127   2.093
  196    H    PHE  28           H        PHE  28   3.006   5.549   2.413
  197    HA   PHE  28           HA       PHE  28   0.508   4.496   1.225
  198   1HB   PHE  28          2HB       PHE  28   1.937   2.502   0.567
  199   2HB   PHE  28          1HB       PHE  28   2.190   3.986  -0.340
  200    HD1  PHE  28           HD1      PHE  28   3.772   1.374   1.329
  201    HD2  PHE  28           HD2      PHE  28   4.105   5.539   0.627
  202    HE1  PHE  28           HE1      PHE  28   6.166   1.278   1.895
  203    HE2  PHE  28           HE2      PHE  28   6.490   5.453   1.171
  204    HZ   PHE  28           HZ       PHE  28   7.531   3.322   1.810
  205    H    LEU  29           H        LEU  29   0.057   2.303   1.987
  206    HA   LEU  29           HA       LEU  29   1.126   1.491   4.532
  207   1HB   LEU  29          2HB       LEU  29  -1.098   1.550   5.649
  208   2HB   LEU  29          1HB       LEU  29  -0.386   3.120   5.359
  209    HG   LEU  29           HG       LEU  29  -2.355   3.749   4.509
  210   1HD1  LEU  29          1HD1      LEU  29  -3.061   2.836   2.291
  211   2HD1  LEU  29          2HD1      LEU  29  -1.647   1.806   2.360
  212   3HD1  LEU  29          3HD1      LEU  29  -1.457   3.553   2.365
  213   1HD2  LEU  29          1HD2      LEU  29  -3.999   1.737   3.844
  214   2HD2  LEU  29          2HD2      LEU  29  -3.800   2.338   5.488
  215   3HD2  LEU  29          3HD2      LEU  29  -2.922   0.901   4.961
  216    H    ILE  30           H        ILE  30   0.628  -0.667   5.031
  217    HA   ILE  30           HA       ILE  30  -0.956  -1.987   2.929
  218    HB   ILE  30           HB       ILE  30   1.027  -3.723   4.199
  219   1HG1  ILE  30          2HG1      ILE  30   1.859  -1.155   3.008
  220   2HG1  ILE  30          1HG1      ILE  30   2.763  -2.258   4.032
  221   1HG2  ILE  30          1HG2      ILE  30   0.770  -4.830   2.261
  222   2HG2  ILE  30          2HG2      ILE  30   0.928  -3.375   1.285
  223   3HG2  ILE  30          3HG2      ILE  30  -0.614  -3.772   2.032
  224   1HD1  ILE  30          1HD1      ILE  30   3.901  -2.112   1.974
  225   2HD1  ILE  30          2HD1      ILE  30   2.421  -2.365   1.051
  226   3HD1  ILE  30          3HD1      ILE  30   3.110  -3.686   1.995
  227    H    ARG  31           H        ARG  31  -2.727  -2.755   3.631
  228    HA   ARG  31           HA       ARG  31  -2.913  -3.747   6.385
  229   1HB   ARG  31          2HB       ARG  31  -5.304  -3.312   6.232
  230   2HB   ARG  31          1HB       ARG  31  -4.403  -1.862   5.815
  231   1HG   ARG  31          2HG       ARG  31  -4.688  -2.788   3.378
  232   2HG   ARG  31          1HG       ARG  31  -6.063  -3.621   4.103
  233   1HD   ARG  31          2HD       ARG  31  -7.131  -1.626   4.660
  234   2HD   ARG  31          1HD       ARG  31  -5.649  -0.685   4.534
  235    HE   ARG  31           HE       ARG  31  -5.810  -0.900   2.126
  236   1HH1  ARG  31          2HH1      ARG  31  -8.687  -1.729   3.936
  237   2HH1  ARG  31          1HH1      ARG  31  -9.747  -1.470   2.595
  238   1HH2  ARG  31          1HH2      ARG  31  -7.212  -0.565   0.372
  239   2HH2  ARG  31          2HH2      ARG  31  -8.914  -0.812   0.575
  240    H    VAL  32           H        VAL  32  -5.038  -5.326   6.374
  241    HA   VAL  32           HA       VAL  32  -4.123  -7.544   4.738
  242    HB   VAL  32           HB       VAL  32  -5.761  -8.897   6.016
  243   1HG1  VAL  32          1HG1      VAL  32  -3.650  -7.282   7.360
  244   2HG1  VAL  32          2HG1      VAL  32  -3.704  -9.012   7.023
  245   3HG1  VAL  32          3HG1      VAL  32  -4.666  -8.340   8.339
  246   1HG2  VAL  32          1HG2      VAL  32  -6.987  -7.947   7.861
  247   2HG2  VAL  32          2HG2      VAL  32  -7.396  -7.073   6.385
  248   3HG2  VAL  32          3HG2      VAL  32  -6.287  -6.358   7.556
  249    H    SER  33           H        SER  33  -5.829  -8.977   3.775
  250    HA   SER  33           HA       SER  33  -7.134  -7.585   1.727
  251   1HB   SER  33          2HB       SER  33  -8.340  -9.940   1.532
  252   2HB   SER  33          1HB       SER  33  -6.637  -9.753   1.119
  253    HG   SER  33           HG       SER  33  -7.325 -11.532   2.625
  254    H    GLU  34           H        GLU  34  -8.395  -6.008   2.978
  255    HA   GLU  34           HA       GLU  34 -10.523  -6.730   4.663
  256   1HB   GLU  34          2HB       GLU  34 -10.125  -4.298   2.919
  257   2HB   GLU  34          1HB       GLU  34 -11.452  -4.462   4.061
  258   1HG   GLU  34          2HG       GLU  34  -8.521  -4.479   4.747
  259   2HG   GLU  34          1HG       GLU  34  -9.636  -3.134   4.983
  260    H    LYS  35           H        LYS  35 -10.109  -6.877   1.305
  261    HA   LYS  35           HA       LYS  35 -12.921  -7.639   0.921
  262   1HB   LYS  35          2HB       LYS  35 -11.634  -6.941  -1.569
  263   2HB   LYS  35          1HB       LYS  35 -13.106  -6.297  -0.861
  264   1HG   LYS  35          2HG       LYS  35 -10.358  -5.364  -0.070
  265   2HG   LYS  35          1HG       LYS  35 -11.304  -4.622  -1.361
  266   1HD   LYS  35          2HD       LYS  35 -13.090  -4.728   0.728
  267   2HD   LYS  35          1HD       LYS  35 -11.562  -4.377   1.536
  268   1HE   LYS  35          2HE       LYS  35 -12.971  -2.795  -0.589
  269   2HE   LYS  35          1HE       LYS  35 -12.467  -2.275   1.018
  270   1HZ   LYS  35          1HZ       LYS  35 -10.133  -2.996  -0.130
  271   2HZ   LYS  35          2HZ       LYS  35 -10.723  -1.414  -0.048
  272   3HZ   LYS  35          3HZ       LYS  35 -10.974  -2.337  -1.443
  273    HA   PRO  36           HA       PRO  36 -10.210 -10.480  -2.062
  274   1HB   PRO  36          2HB       PRO  36  -7.536 -10.431  -1.211
  275   2HB   PRO  36          1HB       PRO  36  -8.171  -9.695  -2.683
  276   1HG   PRO  36          2HG       PRO  36  -7.579  -8.450  -0.047
  277   2HG   PRO  36          1HG       PRO  36  -7.390  -7.782  -1.672
  278   1HD   PRO  36          2HD       PRO  36  -9.404  -7.035  -0.101
  279   2HD   PRO  36          1HD       PRO  36  -9.638  -7.242  -1.846
  280    H    SER  37           H        SER  37  -8.542 -12.398  -1.356
  281    HA   SER  37           HA       SER  37  -9.240 -13.148   1.405
  282   1HB   SER  37          2HB       SER  37 -10.507 -14.279  -0.644
  283   2HB   SER  37          1HB       SER  37  -9.057 -15.282  -0.671
  284    HG   SER  37           HG       SER  37 -11.128 -15.243   1.117
  285    H    ALA  38           H        ALA  38  -7.518 -13.585   2.602
  286    HA   ALA  38           HA       ALA  38  -5.384 -14.069   3.233
  287   1HB   ALA  38          1HB       ALA  38  -6.198 -16.286   2.285
  288   2HB   ALA  38          2HB       ALA  38  -4.453 -16.070   2.419
  289   3HB   ALA  38          3HB       ALA  38  -5.247 -15.899   0.852
  290    H    ASP  39           H        ASP  39  -5.285 -11.734   2.157
  291    HA   ASP  39           HA       ASP  39  -2.785 -11.695   0.683
  292   1HB   ASP  39          2HB       ASP  39  -5.187 -10.217  -0.408
  293   2HB   ASP  39          1HB       ASP  39  -3.593 -10.347  -1.139
  294    H    TYR  40           H        TYR  40  -2.742  -9.003   0.004
  295    HA   TYR  40           HA       TYR  40  -3.398  -7.518   2.432
  296   1HB   TYR  40          2HB       TYR  40  -0.656  -8.243   1.643
  297   2HB   TYR  40          1HB       TYR  40  -0.874  -6.497   1.734
  298    HD1  TYR  40           HD1      TYR  40  -0.366  -5.521   3.753
  299    HD2  TYR  40           HD2      TYR  40  -1.854  -9.507   3.740
  300    HE1  TYR  40           HE1      TYR  40  -0.129  -5.613   6.199
  301    HE2  TYR  40           HE2      TYR  40  -1.621  -9.609   6.185
  302    HH   TYR  40           HH       TYR  40   0.202  -7.645   7.943
  303    H    VAL  41           H        VAL  41  -3.899  -5.443   2.062
  304    HA   VAL  41           HA       VAL  41  -3.793  -4.639  -0.774
  305    HB   VAL  41           HB       VAL  41  -5.740  -3.068  -0.064
  306   1HG1  VAL  41          1HG1      VAL  41  -6.380  -4.564  -1.652
  307   2HG1  VAL  41          2HG1      VAL  41  -7.269  -5.261  -0.297
  308   3HG1  VAL  41          3HG1      VAL  41  -5.718  -5.946  -0.780
  309   1HG2  VAL  41          1HG2      VAL  41  -6.760  -5.101   1.734
  310   2HG2  VAL  41          2HG2      VAL  41  -6.676  -3.354   1.949
  311   3HG2  VAL  41          3HG2      VAL  41  -5.295  -4.362   2.373
  312    H    LEU  42           H        LEU  42  -2.748  -2.844  -1.273
  313    HA   LEU  42           HA       LEU  42  -1.823  -1.194   0.962
  314   1HB   LEU  42          2HB       LEU  42  -0.013  -2.329  -0.114
  315   2HB   LEU  42          1HB       LEU  42  -0.541  -1.768  -1.691
  316    HG   LEU  42           HG       LEU  42  -0.170   0.608  -0.636
  317   1HD1  LEU  42          1HD1      LEU  42   0.615  -1.030   1.488
  318   2HD1  LEU  42          2HD1      LEU  42   0.876   0.707   1.326
  319   3HD1  LEU  42          3HD1      LEU  42   2.117  -0.424   0.792
  320   1HD2  LEU  42          1HD2      LEU  42   1.083  -0.757  -2.482
  321   2HD2  LEU  42          2HD2      LEU  42   2.334  -0.890  -1.245
  322   3HD2  LEU  42          3HD2      LEU  42   1.805   0.700  -1.799
  323    H    SER  43           H        SER  43  -2.153   0.953   0.941
  324    HA   SER  43           HA       SER  43  -3.268   2.121  -1.491
  325   1HB   SER  43          2HB       SER  43  -5.116   2.744  -0.499
  326   2HB   SER  43          1HB       SER  43  -4.612   1.846   0.930
  327    HG   SER  43           HG       SER  43  -5.087   4.250   1.060
  328    H    VAL  44           H        VAL  44  -3.120   4.470  -1.571
  329    HA   VAL  44           HA       VAL  44  -0.893   5.590  -0.067
  330    HB   VAL  44           HB       VAL  44   0.095   4.263  -1.959
  331   1HG1  VAL  44          1HG1      VAL  44  -0.573   6.459  -3.833
  332   2HG1  VAL  44          2HG1      VAL  44  -1.816   5.248  -3.518
  333   3HG1  VAL  44          3HG1      VAL  44  -0.245   4.756  -4.150
  334   1HG2  VAL  44          1HG2      VAL  44   1.425   6.439  -2.776
  335   2HG2  VAL  44          2HG2      VAL  44   1.673   5.682  -1.203
  336   3HG2  VAL  44          3HG2      VAL  44   0.633   7.097  -1.345
  337    H    ARG  45           H        ARG  45  -0.767   7.795  -0.083
  338    HA   ARG  45           HA       ARG  45  -3.109   9.223  -0.890
  339   1HB   ARG  45          2HB       ARG  45  -1.635   9.811   1.098
  340   2HB   ARG  45          1HB       ARG  45  -0.456  10.413  -0.059
  341   1HG   ARG  45          2HG       ARG  45  -2.287  11.928  -0.930
  342   2HG   ARG  45          1HG       ARG  45  -3.208  11.473   0.504
  343   1HD   ARG  45          2HD       ARG  45  -2.039  12.870   1.786
  344   2HD   ARG  45          1HD       ARG  45  -0.507  12.224   1.197
  345    HE   ARG  45           HE       ARG  45  -0.350  13.993  -0.251
  346   1HH1  ARG  45          2HH1      ARG  45  -3.603  13.833   1.002
  347   2HH1  ARG  45          1HH1      ARG  45  -4.073  15.355   0.322
  348   1HH2  ARG  45          1HH2      ARG  45  -0.966  15.994  -1.144
  349   2HH2  ARG  45          2HH2      ARG  45  -2.576  16.582  -0.896
  350    H    ASP  46           H        ASP  46  -0.409   8.099  -2.461
  351    HA   ASP  46           HA       ASP  46   0.689   8.625  -4.400
  352   1HB   ASP  46          2HB       ASP  46  -0.957   9.306  -6.269
  353   2HB   ASP  46          1HB       ASP  46  -1.183   7.750  -5.484
  354    H    THR  47           H        THR  47  -1.285  11.077  -5.648
  355    HA   THR  47           HA       THR  47   0.685  13.083  -4.797
  356    HB   THR  47           HB       THR  47   0.823  12.727  -7.171
  357    HG1  THR  47           HG1      THR  47   0.957  14.789  -7.409
  358   1HG2  THR  47          1HG2      THR  47  -1.235  11.733  -7.758
  359   2HG2  THR  47          2HG2      THR  47  -1.140  13.260  -8.635
  360   3HG2  THR  47          3HG2      THR  47  -2.151  13.132  -7.196
  361    H    GLN  48           H        GLN  48  -2.481  12.143  -4.396
  362    HA   GLN  48           HA       GLN  48  -3.159  14.491  -2.953
  363   1HB   GLN  48          2HB       GLN  48  -4.281  14.103  -5.687
  364   2HB   GLN  48          1HB       GLN  48  -5.315  14.782  -4.437
  365   1HG   GLN  48          2HG       GLN  48  -3.260  16.378  -4.065
  366   2HG   GLN  48          1HG       GLN  48  -2.897  15.925  -5.730
  367   1HE2  GLN  48          1HE2      GLN  48  -3.473  18.526  -5.020
  368   2HE2  GLN  48          2HE2      GLN  48  -4.988  18.984  -5.709
  369    H    ALA  49           H        ALA  49  -5.668  12.800  -4.604
  370    HA   ALA  49           HA       ALA  49  -6.959  11.949  -2.274
  371   1HB   ALA  49          1HB       ALA  49  -8.029  12.206  -4.509
  372   2HB   ALA  49          2HB       ALA  49  -8.420  10.687  -3.699
  373   3HB   ALA  49          3HB       ALA  49  -7.238  10.710  -5.009
  374    H    VAL  50           H        VAL  50  -7.612   9.316  -2.497
  375    HA   VAL  50           HA       VAL  50  -5.039   8.009  -1.919
  376    HB   VAL  50           HB       VAL  50  -7.800   7.255  -0.949
  377   1HG1  VAL  50          1HG1      VAL  50  -5.099   6.003  -0.467
  378   2HG1  VAL  50          2HG1      VAL  50  -6.531   5.249  -1.167
  379   3HG1  VAL  50          3HG1      VAL  50  -6.511   5.687   0.541
  380   1HG2  VAL  50          1HG2      VAL  50  -5.478   8.646   0.350
  381   2HG2  VAL  50          2HG2      VAL  50  -6.728   7.828   1.287
  382   3HG2  VAL  50          3HG2      VAL  50  -7.157   9.176   0.235
  383    H    ARG  51           H        ARG  51  -4.572   6.001  -2.697
  384    HA   ARG  51           HA       ARG  51  -6.396   4.840  -4.679
  385   1HB   ARG  51          2HB       ARG  51  -3.406   5.106  -5.056
  386   2HB   ARG  51          1HB       ARG  51  -4.547   4.402  -6.193
  387   1HG   ARG  51          2HG       ARG  51  -5.658   6.701  -6.224
  388   2HG   ARG  51          1HG       ARG  51  -4.187   7.277  -5.443
  389   1HD   ARG  51          2HD       ARG  51  -3.414   7.545  -7.527
  390   2HD   ARG  51          1HD       ARG  51  -3.182   5.799  -7.500
  391    HE   ARG  51           HE       ARG  51  -4.940   5.565  -8.960
  392   1HH1  ARG  51          2HH1      ARG  51  -4.894   8.830  -7.724
  393   2HH1  ARG  51          1HH1      ARG  51  -6.077   9.405  -8.850
  394   1HH2  ARG  51          1HH2      ARG  51  -6.494   6.322 -10.442
  395   2HH2  ARG  51          2HH2      ARG  51  -6.986   7.982 -10.392
  396    H    HIS  52           H        HIS  52  -6.952   2.965  -3.746
  397    HA   HIS  52           HA       HIS  52  -5.073   1.570  -2.040
  398   1HB   HIS  52          2HB       HIS  52  -7.920   0.897  -2.871
  399   2HB   HIS  52          1HB       HIS  52  -6.974  -0.018  -1.694
  400    HD1  HIS  52           HD1      HIS  52  -6.314   1.241   0.495
  401    HD2  HIS  52           HD2      HIS  52  -9.090   3.201  -1.881
  402    HE1  HIS  52           HE1      HIS  52  -7.085   3.186   1.846
  403    HE2  HIS  52           HE2      HIS  52  -8.939   4.232   0.489
  404    H    TYR  53           H        TYR  53  -4.727  -0.816  -2.352
  405    HA   TYR  53           HA       TYR  53  -4.917  -1.719  -5.108
  406   1HB   TYR  53          2HB       TYR  53  -2.226  -1.449  -3.767
  407   2HB   TYR  53          1HB       TYR  53  -2.542  -2.023  -5.402
  408    HD1  TYR  53           HD1      TYR  53  -1.842   0.845  -3.368
  409    HD2  TYR  53           HD2      TYR  53  -3.611  -0.381  -7.034
  410    HE1  TYR  53           HE1      TYR  53  -1.602   3.128  -4.245
  411    HE2  TYR  53           HE2      TYR  53  -3.373   1.897  -7.924
  412    HH   TYR  53           HH       TYR  53  -1.603   4.367  -6.195
  413    H    LYS  54           H        LYS  54  -5.032  -3.859  -5.292
  414    HA   LYS  54           HA       LYS  54  -5.062  -5.464  -2.884
  415   1HB   LYS  54          2HB       LYS  54  -6.635  -5.522  -5.055
  416   2HB   LYS  54          1HB       LYS  54  -5.420  -6.677  -5.580
  417   1HG   LYS  54          2HG       LYS  54  -5.852  -7.767  -3.257
  418   2HG   LYS  54          1HG       LYS  54  -7.367  -6.865  -3.337
  419   1HD   LYS  54          2HD       LYS  54  -8.090  -8.722  -4.400
  420   2HD   LYS  54          1HD       LYS  54  -7.344  -7.947  -5.798
  421   1HE   LYS  54          2HE       LYS  54  -5.437  -9.294  -5.675
  422   2HE   LYS  54          1HE       LYS  54  -5.779  -9.781  -4.015
  423   1HZ   LYS  54          1HZ       LYS  54  -6.931 -10.776  -6.518
  424   2HZ   LYS  54          2HZ       LYS  54  -7.906 -10.780  -5.135
  425   3HZ   LYS  54          3HZ       LYS  54  -6.443 -11.630  -5.141
  426    H    ILE  55           H        ILE  55  -3.281  -6.402  -2.167
  427    HA   ILE  55           HA       ILE  55  -1.135  -7.044  -4.076
  428    HB   ILE  55           HB       ILE  55  -0.657  -7.170  -1.159
  429   1HG1  ILE  55          2HG1      ILE  55  -0.587  -4.473  -2.494
  430   2HG1  ILE  55          1HG1      ILE  55  -2.015  -5.020  -1.624
  431   1HG2  ILE  55          1HG2      ILE  55   1.459  -7.141  -1.799
  432   2HG2  ILE  55          2HG2      ILE  55   1.221  -5.629  -2.673
  433   3HG2  ILE  55          3HG2      ILE  55   0.897  -7.169  -3.470
  434   1HD1  ILE  55          1HD1      ILE  55  -0.119  -5.518   0.206
  435   2HD1  ILE  55          2HD1      ILE  55  -1.021  -4.008   0.097
  436   3HD1  ILE  55          3HD1      ILE  55   0.585  -4.132  -0.621
  437    H    TRP  56           H        TRP  56  -1.660  -9.017  -4.793
  438    HA   TRP  56           HA       TRP  56  -2.756 -11.045  -3.069
  439   1HB   TRP  56          2HB       TRP  56  -3.273 -10.543  -5.565
  440   2HB   TRP  56          1HB       TRP  56  -1.830 -11.492  -5.890
  441    HD1  TRP  56           HD1      TRP  56  -2.613 -13.618  -3.404
  442    HE1  TRP  56           HE1      TRP  56  -4.373 -15.406  -3.956
  443    HE3  TRP  56           HE3      TRP  56  -4.766 -11.404  -7.476
  444    HZ2  TRP  56           HZ2      TRP  56  -6.405 -15.829  -5.867
  445    HZ3  TRP  56           HZ3      TRP  56  -6.612 -12.569  -8.611
  446    HH2  TRP  56           HH2      TRP  56  -7.413 -14.736  -7.822
  447    H    ARG  57           H        ARG  57  -1.738 -12.644  -2.088
  448    HA   ARG  57           HA       ARG  57   1.142 -12.846  -2.291
  449   1HB   ARG  57          2HB       ARG  57   0.282 -12.942  -0.071
  450   2HB   ARG  57          1HB       ARG  57  -0.917 -14.149  -0.512
  451   1HG   ARG  57          2HG       ARG  57   1.721 -15.133  -1.078
  452   2HG   ARG  57          1HG       ARG  57   1.620 -14.573   0.592
  453   1HD   ARG  57          2HD       ARG  57  -0.590 -15.913   0.659
  454   2HD   ARG  57          1HD       ARG  57   0.034 -16.710  -0.786
  455    HE   ARG  57           HE       ARG  57   1.971 -16.720   1.282
  456   1HH1  ARG  57          2HH1      ARG  57  -1.005 -18.254   0.296
  457   2HH1  ARG  57          1HH1      ARG  57  -0.665 -19.733   1.131
  458   1HH2  ARG  57          1HH2      ARG  57   2.420 -18.664   2.380
  459   2HH2  ARG  57          2HH2      ARG  57   1.278 -19.965   2.316
  460    H    ARG  58           H        ARG  58   2.226 -14.381  -3.355
  461    HA   ARG  58           HA       ARG  58   0.952 -16.021  -5.240
  462   1HB   ARG  58          2HB       ARG  58   3.719 -15.591  -4.298
  463   2HB   ARG  58          1HB       ARG  58   3.403 -17.100  -5.141
  464   1HG   ARG  58          2HG       ARG  58   2.208 -14.951  -6.594
  465   2HG   ARG  58          1HG       ARG  58   3.891 -14.555  -6.243
  466   1HD   ARG  58          2HD       ARG  58   4.673 -16.119  -7.646
  467   2HD   ARG  58          1HD       ARG  58   3.478 -17.310  -7.134
  468    HE   ARG  58           HE       ARG  58   1.994 -15.641  -8.610
  469   1HH1  ARG  58          2HH1      ARG  58   5.068 -17.172  -9.244
  470   2HH1  ARG  58          1HH1      ARG  58   4.824 -17.230 -10.957
  471   1HH2  ARG  58          1HH2      ARG  58   1.675 -15.720 -10.861
  472   2HH2  ARG  58          2HH2      ARG  58   2.899 -16.408 -11.875
  473    H    ALA  59           H        ALA  59   3.292 -17.539  -3.202
  474    HA   ALA  59           HA       ALA  59   1.509 -19.134  -1.679
  475   1HB   ALA  59          1HB       ALA  59   2.740 -20.423  -4.114
  476   2HB   ALA  59          2HB       ALA  59   1.021 -20.206  -3.781
  477   3HB   ALA  59          3HB       ALA  59   1.980 -21.303  -2.788
  478    H    GLY  60           H        GLY  60   2.848 -18.710   0.030
  479   1HA   GLY  60          2HA       GLY  60   4.528 -19.882   1.356
  480   2HA   GLY  60          1HA       GLY  60   5.515 -19.969  -0.097
  481    H    GLY  61           H        GLY  61   4.810 -17.181  -0.833
  482   1HA   GLY  61          2HA       GLY  61   5.257 -15.176   0.857
  483   2HA   GLY  61          1HA       GLY  61   6.853 -15.907   0.803
  484    H    ARG  62           H        ARG  62   4.405 -14.206  -1.043
  485    HA   ARG  62           HA       ARG  62   6.281 -12.761  -2.542
  486   1HB   ARG  62          2HB       ARG  62   5.689 -15.348  -3.604
  487   2HB   ARG  62          1HB       ARG  62   5.016 -14.132  -4.680
  488   1HG   ARG  62          2HG       ARG  62   7.314 -13.017  -4.554
  489   2HG   ARG  62          1HG       ARG  62   7.870 -14.546  -3.873
  490   1HD   ARG  62          2HD       ARG  62   7.263 -15.740  -5.834
  491   2HD   ARG  62          1HD       ARG  62   6.377 -14.357  -6.478
  492    HE   ARG  62           HE       ARG  62   9.032 -13.584  -6.116
  493   1HH1  ARG  62          2HH1      ARG  62   7.185 -15.793  -8.086
  494   2HH1  ARG  62          1HH1      ARG  62   8.293 -15.731  -9.416
  495   1HH2  ARG  62          1HH2      ARG  62  10.491 -13.500  -7.864
  496   2HH2  ARG  62          2HH2      ARG  62  10.170 -14.429  -9.290
  497    H    LEU  63           H        LEU  63   5.278 -10.900  -2.831
  498    HA   LEU  63           HA       LEU  63   2.357 -10.888  -3.084
  499   1HB   LEU  63          2HB       LEU  63   4.343  -8.836  -2.161
  500   2HB   LEU  63          1HB       LEU  63   2.724  -8.369  -2.647
  501    HG   LEU  63           HG       LEU  63   2.920  -8.631  -0.215
  502   1HD1  LEU  63          1HD1      LEU  63   0.836  -9.494  -0.013
  503   2HD1  LEU  63          2HD1      LEU  63   1.212 -10.918  -0.982
  504   3HD1  LEU  63          3HD1      LEU  63   0.880  -9.377  -1.772
  505   1HD2  LEU  63          1HD2      LEU  63   4.595 -10.653  -0.682
  506   2HD2  LEU  63          2HD2      LEU  63   3.110 -11.576  -0.453
  507   3HD2  LEU  63          3HD2      LEU  63   3.685 -10.501   0.821
  508    H    HIS  64           H        HIS  64   1.322  -9.757  -4.704
  509    HA   HIS  64           HA       HIS  64   2.844  -8.367  -6.717
  510   1HB   HIS  64          2HB       HIS  64   2.178  -9.805  -8.575
  511   2HB   HIS  64          1HB       HIS  64   3.113 -10.725  -7.403
  512    HD1  HIS  64           HD1      HIS  64  -0.206 -10.532  -9.024
  513    HD2  HIS  64           HD2      HIS  64   1.597 -12.641  -5.929
  514    HE1  HIS  64           HE1      HIS  64  -1.757 -12.448  -8.522
  515    HE2  HIS  64           HE2      HIS  64  -0.597 -13.763  -6.713
  516    H    LEU  65           H        LEU  65   1.607  -6.570  -6.572
  517    HA   LEU  65           HA       LEU  65  -1.193  -6.638  -6.211
  518   1HB   LEU  65          2HB       LEU  65   0.596  -4.404  -7.152
  519   2HB   LEU  65          1HB       LEU  65  -1.101  -4.208  -6.752
  520    HG   LEU  65           HG       LEU  65  -0.297  -5.281  -4.453
  521   1HD1  LEU  65          1HD1      LEU  65   2.164  -4.097  -5.692
  522   2HD1  LEU  65          2HD1      LEU  65   1.963  -5.652  -4.887
  523   3HD1  LEU  65          3HD1      LEU  65   1.946  -4.164  -3.943
  524   1HD2  LEU  65          1HD2      LEU  65  -1.283  -3.299  -4.076
  525   2HD2  LEU  65          2HD2      LEU  65  -0.518  -2.534  -5.469
  526   3HD2  LEU  65          3HD2      LEU  65   0.374  -2.706  -3.956
  527    H    ASN  66           H        ASN  66   0.886  -6.551  -8.957
  528    HA   ASN  66           HA       ASN  66  -1.454  -6.693 -10.736
  529   1HB   ASN  66          2HB       ASN  66   0.876  -4.923 -10.843
  530   2HB   ASN  66          1HB       ASN  66   0.583  -5.776 -12.355
  531   1HD2  ASN  66          1HD2      ASN  66  -0.644  -4.718 -13.715
  532   2HD2  ASN  66          2HD2      ASN  66  -1.908  -3.613 -13.308
  533    H    GLU  67           H        GLU  67  -0.867  -7.724 -12.892
  534    HA   GLU  67           HA       GLU  67   0.282 -10.288 -12.357
  535   1HB   GLU  67          2HB       GLU  67  -1.024  -8.987 -14.708
  536   2HB   GLU  67          1HB       GLU  67  -0.098 -10.461 -14.958
  537   1HG   GLU  67          2HG       GLU  67  -1.607 -11.759 -13.888
  538   2HG   GLU  67          1HG       GLU  67  -2.062 -10.489 -12.753
  539    H    ALA  68           H        ALA  68   1.652  -7.346 -13.223
  540    HA   ALA  68           HA       ALA  68   3.969  -8.703 -14.440
  541   1HB   ALA  68          1HB       ALA  68   2.930  -5.915 -14.905
  542   2HB   ALA  68          2HB       ALA  68   2.998  -7.246 -16.062
  543   3HB   ALA  68          3HB       ALA  68   4.488  -6.498 -15.489
  544    H    VAL  69           H        VAL  69   3.290  -8.117 -11.555
  545    HA   VAL  69           HA       VAL  69   5.903  -7.071 -10.850
  546    HB   VAL  69           HB       VAL  69   5.135  -5.340  -9.380
  547   1HG1  VAL  69          1HG1      VAL  69   4.302  -3.732 -10.934
  548   2HG1  VAL  69          2HG1      VAL  69   3.642  -4.998 -11.970
  549   3HG1  VAL  69          3HG1      VAL  69   5.388  -4.814 -11.804
  550   1HG2  VAL  69          1HG2      VAL  69   2.678  -4.725  -9.358
  551   2HG2  VAL  69          2HG2      VAL  69   3.111  -6.203  -8.501
  552   3HG2  VAL  69          3HG2      VAL  69   2.375  -6.294 -10.101
  553    H    SER  70           H        SER  70   6.698  -8.381  -9.304
  554    HA   SER  70           HA       SER  70   4.953  -9.263  -7.158
  555   1HB   SER  70          2HB       SER  70   4.827 -10.997  -8.998
  556   2HB   SER  70          1HB       SER  70   6.532 -11.326  -8.689
  557    HG   SER  70           HG       SER  70   5.892 -11.746  -6.477
  558    H    PHE  71           H        PHE  71   6.003  -9.871  -5.278
  559    HA   PHE  71           HA       PHE  71   8.886 -10.031  -5.170
  560   1HB   PHE  71          2HB       PHE  71   7.570  -7.520  -4.672
  561   2HB   PHE  71          1HB       PHE  71   8.347  -8.097  -3.199
  562    HD1  PHE  71           HD1      PHE  71   8.921  -7.176  -6.723
  563    HD2  PHE  71           HD2      PHE  71  10.698  -8.124  -2.978
  564    HE1  PHE  71           HE1      PHE  71  11.102  -6.412  -7.569
  565    HE2  PHE  71           HE2      PHE  71  12.881  -7.358  -3.812
  566    HZ   PHE  71           HZ       PHE  71  13.085  -6.500  -6.111
  567    H    LEU  72           H        LEU  72   9.445 -11.417  -3.769
  568    HA   LEU  72           HA       LEU  72   8.189 -13.217  -2.388
  569   1HB   LEU  72          2HB       LEU  72   9.998 -13.021  -0.595
  570   2HB   LEU  72          1HB       LEU  72  10.506 -13.242  -2.263
  571    HG   LEU  72           HG       LEU  72  10.610 -10.617  -2.273
  572   1HD1  LEU  72          1HD1      LEU  72  10.025 -11.211   0.471
  573   2HD1  LEU  72          2HD1      LEU  72  10.212  -9.647  -0.314
  574   3HD1  LEU  72          3HD1      LEU  72  11.619 -10.468   0.357
  575   1HD2  LEU  72          1HD2      LEU  72  12.595 -11.697  -2.722
  576   2HD2  LEU  72          2HD2      LEU  72  12.578 -12.598  -1.207
  577   3HD2  LEU  72          3HD2      LEU  72  12.979 -10.881  -1.207
  578    H    SER  73           H        SER  73   8.412  -9.896  -1.130
  579    HA   SER  73           HA       SER  73   6.201 -10.468   0.650
  580   1HB   SER  73          2HB       SER  73   8.321 -11.036   1.906
  581   2HB   SER  73          1HB       SER  73   8.743  -9.327   1.808
  582    HG   SER  73           HG       SER  73   7.685  -9.653   3.735
  583    H    LEU  74           H        LEU  74   5.913  -8.350   2.106
  584    HA   LEU  74           HA       LEU  74   5.175  -6.315   0.276
  585   1HB   LEU  74          2HB       LEU  74   5.070  -6.632   3.228
  586   2HB   LEU  74          1HB       LEU  74   4.806  -5.046   2.522
  587    HG   LEU  74           HG       LEU  74   3.224  -7.540   1.948
  588   1HD1  LEU  74          1HD1      LEU  74   2.413  -4.961   3.258
  589   2HD1  LEU  74          2HD1      LEU  74   2.856  -6.428   4.130
  590   3HD1  LEU  74          3HD1      LEU  74   1.447  -6.424   3.073
  591   1HD2  LEU  74          1HD2      LEU  74   1.831  -5.525   0.820
  592   2HD2  LEU  74          2HD2      LEU  74   2.977  -6.533  -0.062
  593   3HD2  LEU  74          3HD2      LEU  74   3.477  -4.956   0.545
  594    HA   PRO  75           HA       PRO  75   8.528  -3.630   2.797
  595   1HB   PRO  75          2HB       PRO  75  10.599  -5.482   3.424
  596   2HB   PRO  75          1HB       PRO  75   9.598  -4.571   4.556
  597   1HG   PRO  75          2HG       PRO  75   9.317  -7.367   3.611
  598   2HG   PRO  75          1HG       PRO  75   8.837  -6.645   5.157
  599   1HD   PRO  75          2HD       PRO  75   7.022  -7.300   3.303
  600   2HD   PRO  75          1HD       PRO  75   6.832  -5.842   4.299
  601    H    GLU  76           H        GLU  76   9.415  -6.604   1.082
  602    HA   GLU  76           HA       GLU  76  11.449  -5.247  -0.447
  603   1HB   GLU  76          2HB       GLU  76  10.277  -7.974  -0.975
  604   2HB   GLU  76          1HB       GLU  76  11.821  -7.349  -1.534
  605   1HG   GLU  76          2HG       GLU  76  11.039  -8.253   1.206
  606   2HG   GLU  76          1HG       GLU  76  12.391  -8.770   0.202
  607    H    LEU  77           H        LEU  77   8.068  -6.206  -0.815
  608    HA   LEU  77           HA       LEU  77   7.912  -5.784  -3.610
  609   1HB   LEU  77          2HB       LEU  77   6.096  -6.911  -2.619
  610   2HB   LEU  77          1HB       LEU  77   5.894  -5.675  -1.391
  611    HG   LEU  77           HG       LEU  77   5.495  -4.887  -4.226
  612   1HD1  LEU  77          1HD1      LEU  77   3.798  -6.222  -4.631
  613   2HD1  LEU  77          2HD1      LEU  77   3.018  -5.736  -3.128
  614   3HD1  LEU  77          3HD1      LEU  77   4.149  -7.086  -3.137
  615   1HD2  LEU  77          1HD2      LEU  77   4.754  -3.968  -1.535
  616   2HD2  LEU  77          2HD2      LEU  77   3.512  -3.784  -2.774
  617   3HD2  LEU  77          3HD2      LEU  77   5.098  -3.047  -2.999
  618    H    VAL  78           H        VAL  78   6.907  -3.685  -0.913
  619    HA   VAL  78           HA       VAL  78   6.389  -1.385  -2.349
  620    HB   VAL  78           HB       VAL  78   7.603  -1.566   0.414
  621   1HG1  VAL  78          1HG1      VAL  78   7.504   0.657   0.574
  622   2HG1  VAL  78          2HG1      VAL  78   5.882   0.699  -0.112
  623   3HG1  VAL  78          3HG1      VAL  78   7.283   0.692  -1.175
  624   1HG2  VAL  78          1HG2      VAL  78   5.623  -2.610   0.780
  625   2HG2  VAL  78          2HG2      VAL  78   4.866  -1.910  -0.650
  626   3HG2  VAL  78          3HG2      VAL  78   5.020  -0.953   0.823
  627    H    ASN  79           H        ASN  79   9.421  -2.850  -1.467
  628    HA   ASN  79           HA       ASN  79  11.164  -0.703  -1.818
  629   1HB   ASN  79          2HB       ASN  79  11.460  -3.367  -1.264
  630   2HB   ASN  79          1HB       ASN  79  12.112  -3.278  -2.896
  631   1HD2  ASN  79          1HD2      ASN  79  12.794  -2.937   0.335
  632   2HD2  ASN  79          2HD2      ASN  79  14.283  -2.071   0.209
  633    H    TYR  80           H        TYR  80   9.707  -2.928  -4.175
  634    HA   TYR  80           HA       TYR  80  11.051  -1.571  -6.371
  635   1HB   TYR  80          2HB       TYR  80  10.317  -3.273  -7.752
  636   2HB   TYR  80          1HB       TYR  80  10.408  -4.111  -6.209
  637    HD1  TYR  80           HD1      TYR  80   7.997  -2.334  -8.439
  638    HD2  TYR  80           HD2      TYR  80   8.557  -5.268  -5.412
  639    HE1  TYR  80           HE1      TYR  80   5.650  -3.020  -8.676
  640    HE2  TYR  80           HE2      TYR  80   6.215  -5.966  -5.645
  641    HH   TYR  80           HH       TYR  80   4.377  -5.832  -7.020
  642    H    HIS  81           H        HIS  81   7.984  -1.580  -4.752
  643    HA   HIS  81           HA       HIS  81   6.519  -0.152  -6.733
  644   1HB   HIS  81          2HB       HIS  81   6.039  -1.257  -4.120
  645   2HB   HIS  81          1HB       HIS  81   5.409   0.385  -4.187
  646    HD1  HIS  81           HD1      HIS  81   3.069  -0.989  -3.937
  647    HD2  HIS  81           HD2      HIS  81   5.073  -1.308  -7.562
  648    HE1  HIS  81           HE1      HIS  81   1.370  -1.848  -5.581
  649    HE2  HIS  81           HE2      HIS  81   2.581  -1.951  -7.782
  650    H    ARG  82           H        ARG  82   8.703   0.715  -4.179
  651    HA   ARG  82           HA       ARG  82   7.959   3.466  -4.098
  652   1HB   ARG  82          2HB       ARG  82   8.896   2.686  -2.088
  653   2HB   ARG  82          1HB       ARG  82  10.209   1.874  -2.925
  654   1HG   ARG  82          2HG       ARG  82  11.330   3.916  -3.344
  655   2HG   ARG  82          1HG       ARG  82   9.925   4.865  -2.856
  656   1HD   ARG  82          2HD       ARG  82  10.208   4.309  -0.586
  657   2HD   ARG  82          1HD       ARG  82  11.324   2.998  -0.965
  658    HE   ARG  82           HE       ARG  82  11.987   5.726  -0.565
  659   1HH1  ARG  82          2HH1      ARG  82  12.851   2.930  -2.465
  660   2HH1  ARG  82          1HH1      ARG  82  14.488   3.442  -2.705
  661   1HH2  ARG  82          1HH2      ARG  82  14.139   6.403  -0.879
  662   2HH2  ARG  82          2HH2      ARG  82  15.219   5.415  -1.805
  663    H    ALA  83           H        ALA  83  10.479   1.602  -5.577
  664    HA   ALA  83           HA       ALA  83  11.811   3.850  -6.725
  665   1HB   ALA  83          1HB       ALA  83  12.722   1.458  -6.294
  666   2HB   ALA  83          2HB       ALA  83  13.241   2.327  -7.739
  667   3HB   ALA  83          3HB       ALA  83  11.996   1.083  -7.857
  668    H    GLN  84           H        GLN  84   9.970   1.216  -8.216
  669    HA   GLN  84           HA       GLN  84   9.310   2.972 -10.460
  670   1HB   GLN  84          2HB       GLN  84   8.942  -0.014 -10.179
  671   2HB   GLN  84          1HB       GLN  84   8.632   0.926 -11.632
  672   1HG   GLN  84          2HG       GLN  84  10.892   1.320 -12.010
  673   2HG   GLN  84          1HG       GLN  84  11.335   0.918 -10.351
  674   1HE2  GLN  84          1HE2      GLN  84  11.725  -0.119 -13.333
  675   2HE2  GLN  84          2HE2      GLN  84  11.739  -1.830 -13.101
  676    H    SER  85           H        SER  85   7.288   3.629 -10.943
  677    HA   SER  85           HA       SER  85   5.167   2.963  -9.031
  678   1HB   SER  85          2HB       SER  85   4.402   4.905 -11.039
  679   2HB   SER  85          1HB       SER  85   4.476   5.082  -9.287
  680    HG   SER  85           HG       SER  85   6.547   5.481 -11.175
  681    H    LEU  86           H        LEU  86   6.163   1.233 -11.294
  682    HA   LEU  86           HA       LEU  86   4.604   1.067 -13.497
  683   1HB   LEU  86          2HB       LEU  86   6.463  -0.462 -12.892
  684   2HB   LEU  86          1HB       LEU  86   5.382  -1.296 -11.794
  685    HG   LEU  86           HG       LEU  86   4.724  -1.058 -14.712
  686   1HD1  LEU  86          1HD1      LEU  86   7.061  -2.171 -13.955
  687   2HD1  LEU  86          2HD1      LEU  86   6.110  -2.716 -15.337
  688   3HD1  LEU  86          3HD1      LEU  86   5.978  -3.553 -13.790
  689   1HD2  LEU  86          1HD2      LEU  86   3.822  -3.456 -13.847
  690   2HD2  LEU  86          2HD2      LEU  86   2.869  -1.972 -13.824
  691   3HD2  LEU  86          3HD2      LEU  86   3.705  -2.507 -12.365
  692    H    SER  87           H        SER  87   3.804  -0.961 -10.674
  693    HA   SER  87           HA       SER  87   0.991  -0.815 -11.498
  694   1HB   SER  87          2HB       SER  87   1.796  -3.075 -11.392
  695   2HB   SER  87          1HB       SER  87   2.476  -2.814  -9.785
  696    HG   SER  87           HG       SER  87   0.374  -2.594  -8.986
  697    H    HIS  88           H        HIS  88   1.991   1.419 -10.162
  698    HA   HIS  88           HA       HIS  88   0.192   1.477  -7.922
  699   1HB   HIS  88          2HB       HIS  88   2.484   0.559  -7.116
  700   2HB   HIS  88          1HB       HIS  88   3.026   2.226  -7.278
  701    HD1  HIS  88           HD1      HIS  88   0.806   0.030  -5.224
  702    HD2  HIS  88           HD2      HIS  88   2.015   3.993  -5.360
  703    HE1  HIS  88           HE1      HIS  88   0.094   1.024  -3.034
  704    HE2  HIS  88           HE2      HIS  88   0.994   3.371  -3.079
  705    H    GLY  89           H        GLY  89  -0.670   3.431  -7.676
  706   1HA   GLY  89          2HA       GLY  89  -0.558   5.400  -9.541
  707   2HA   GLY  89          1HA       GLY  89  -1.033   5.690  -7.879
  708    H    LEU  90           H        LEU  90   1.454   5.325  -6.598
  709    HA   LEU  90           HA       LEU  90   3.261   7.210  -7.904
  710   1HB   LEU  90          2HB       LEU  90   1.438   8.232  -6.232
  711   2HB   LEU  90          1HB       LEU  90   2.660   7.782  -5.058
  712    HG   LEU  90           HG       LEU  90   4.174   9.098  -6.899
  713   1HD1  LEU  90          1HD1      LEU  90   2.821  11.253  -7.239
  714   2HD1  LEU  90          2HD1      LEU  90   1.405  10.235  -6.975
  715   3HD1  LEU  90          3HD1      LEU  90   2.503   9.890  -8.312
  716   1HD2  LEU  90          1HD2      LEU  90   3.462   9.395  -4.256
  717   2HD2  LEU  90          2HD2      LEU  90   2.984  10.930  -4.980
  718   3HD2  LEU  90          3HD2      LEU  90   4.648  10.366  -5.126
  719    H    ARG  91           H        ARG  91   5.373   7.228  -7.090
  720    HA   ARG  91           HA       ARG  91   6.373   4.764  -6.221
  721   1HB   ARG  91          2HB       ARG  91   7.503   7.527  -6.454
  722   2HB   ARG  91          1HB       ARG  91   8.447   6.278  -5.660
  723   1HG   ARG  91          2HG       ARG  91   8.599   4.996  -7.617
  724   2HG   ARG  91          1HG       ARG  91   7.299   5.895  -8.403
  725   1HD   ARG  91          2HD       ARG  91   9.429   7.665  -7.609
  726   2HD   ARG  91          1HD       ARG  91  10.052   6.355  -8.608
  727    HE   ARG  91           HE       ARG  91   8.317   8.498  -9.435
  728   1HH1  ARG  91          2HH1      ARG  91   9.441   5.272 -10.152
  729   2HH1  ARG  91          1HH1      ARG  91   9.059   5.378 -11.837
  730   1HH2  ARG  91          1HH2      ARG  91   7.812   8.638 -11.650
  731   2HH2  ARG  91          2HH2      ARG  91   8.132   7.289 -12.688
  732    H    LEU  92           H        LEU  92   5.846   3.898  -4.296
  733    HA   LEU  92           HA       LEU  92   4.997   5.135  -2.009
  734   1HB   LEU  92          2HB       LEU  92   6.659   2.641  -2.163
  735   2HB   LEU  92          1HB       LEU  92   5.663   3.133  -0.801
  736    HG   LEU  92           HG       LEU  92   4.692   2.441  -3.560
  737   1HD1  LEU  92          1HD1      LEU  92   5.349   0.515  -2.130
  738   2HD1  LEU  92          2HD1      LEU  92   3.634   0.540  -2.537
  739   3HD1  LEU  92          3HD1      LEU  92   4.165   1.052  -0.937
  740   1HD2  LEU  92          1HD2      LEU  92   2.523   2.599  -1.832
  741   2HD2  LEU  92          2HD2      LEU  92   2.946   3.726  -3.120
  742   3HD2  LEU  92          3HD2      LEU  92   3.500   4.022  -1.477
  743    H    ALA  93           H        ALA  93   5.966   6.923  -1.392
  744    HA   ALA  93           HA       ALA  93   8.841   7.052  -1.019
  745   1HB   ALA  93          1HB       ALA  93   7.860   8.974  -1.994
  746   2HB   ALA  93          2HB       ALA  93   8.363   9.426  -0.365
  747   3HB   ALA  93          3HB       ALA  93   6.664   9.100  -0.706
  748    H    ALA  94           H        ALA  94   6.443   8.452   1.183
  749    HA   ALA  94           HA       ALA  94   7.944   7.260   3.417
  750   1HB   ALA  94          1HB       ALA  94   6.101   9.465   4.015
  751   2HB   ALA  94          2HB       ALA  94   7.436   9.881   2.941
  752   3HB   ALA  94          3HB       ALA  94   7.766   9.201   4.533
  753    HA   PRO  95           HA       PRO  95   4.282   5.300   4.976
  754   1HB   PRO  95          2HB       PRO  95   4.315   5.681   7.617
  755   2HB   PRO  95          1HB       PRO  95   5.620   4.807   6.810
  756   1HG   PRO  95          2HG       PRO  95   5.555   7.619   7.808
  757   2HG   PRO  95          1HG       PRO  95   6.878   6.441   7.859
  758   1HD   PRO  95          2HD       PRO  95   6.603   8.478   5.985
  759   2HD   PRO  95          1HD       PRO  95   7.618   7.035   5.791
  760    H    CYS  96           H        CYS  96   2.141   5.477   5.862
  761    HA   CYS  96           HA       CYS  96   0.885   7.964   5.308
  762   1HB   CYS  96          2HB       CYS  96  -1.178   6.865   5.945
  763   2HB   CYS  96          1HB       CYS  96  -0.211   5.760   4.977
  764    HG   CYS  96           HG       CYS  96  -1.180   4.482   7.035
  765    H    ARG  97           H        ARG  97  -0.847   8.735   7.021
  766    HA   ARG  97           HA       ARG  97  -0.039   8.650   9.761
  767   1HB   ARG  97          2HB       ARG  97   0.872  10.869   8.025
  768   2HB   ARG  97          1HB       ARG  97   0.196  11.335   9.580
  769   1HG   ARG  97          2HG       ARG  97   1.808   9.603  10.573
  770   2HG   ARG  97          1HG       ARG  97   2.618   9.672   9.006
  771   1HD   ARG  97          2HD       ARG  97   3.710  11.213  10.474
  772   2HD   ARG  97          1HD       ARG  97   2.797  12.143   9.287
  773    HE   ARG  97           HE       ARG  97   1.075  11.944  11.360
  774   1HH1  ARG  97          2HH1      ARG  97   4.404  12.970  11.125
  775   2HH1  ARG  97          1HH1      ARG  97   4.283  14.084  12.446
  776   1HH2  ARG  97          1HH2      ARG  97   0.917  13.409  13.096
  777   2HH2  ARG  97          2HH2      ARG  97   2.304  14.333  13.565
  778    H    LYS  98           H        LYS  98  -1.485   9.816  11.156
  779    HA   LYS  98           HA       LYS  98  -3.856  10.964   9.891
  780   1HB   LYS  98          2HB       LYS  98  -3.969   8.374  10.555
  781   2HB   LYS  98          1HB       LYS  98  -4.361   9.067  12.123
  782   1HG   LYS  98          2HG       LYS  98  -6.040  10.491  10.628
  783   2HG   LYS  98          1HG       LYS  98  -5.916   9.057   9.608
  784   1HD   LYS  98          2HD       LYS  98  -7.023   7.752  11.083
  785   2HD   LYS  98          1HD       LYS  98  -6.298   8.543  12.483
  786   1HE   LYS  98          2HE       LYS  98  -8.342   9.943  10.797
  787   2HE   LYS  98          1HE       LYS  98  -8.828   8.825  12.071
  788   1HZ   LYS  98          1HZ       LYS  98  -8.565  11.339  12.583
  789   2HZ   LYS  98          2HZ       LYS  98  -6.917  10.973  12.687
  790   3HZ   LYS  98          3HZ       LYS  98  -8.020  10.195  13.706
  791    H    HIS  99           H        HIS  99  -2.895   9.922  13.165
  792    HA   HIS  99           HA       HIS  99  -2.646  12.645  14.066
  793   1HB   HIS  99          2HB       HIS  99  -5.066  11.009  14.686
  794   2HB   HIS  99          1HB       HIS  99  -4.414  12.048  15.950
  795    HD1  HIS  99           HD1      HIS  99  -7.163  12.334  14.205
  796    HD2  HIS  99           HD2      HIS  99  -3.703  14.619  13.945
  797    HE1  HIS  99           HE1      HIS  99  -7.879  14.525  13.202
  798    HE2  HIS  99           HE2      HIS  99  -5.752  15.854  12.962
  799    H    GLU 100           HN       GLU 100  -0.580  12.007  14.688
  800    HA   GLU 100           HA       GLU 100  -0.376  10.903  17.304
  801   1HB   GLU 100          2HB       GLU 100   1.147   9.002  16.617
  802   2HB   GLU 100          1HB       GLU 100  -0.564   8.770  16.283
  803   1HG   GLU 100          2HG       GLU 100  -0.247   8.675  14.074
  804   2HG   GLU 100          1HG       GLU 100   0.926   9.991  14.084
  Start of MODEL   19
    1   1H    SER   1          1H        SER   1   8.633   5.302   8.399
    2   2H    SER   1          2H        SER   1   9.677   5.084   9.745
    3   3H    SER   1          3H        SER   1   8.530   3.872   9.341
    4    HA   SER   1           HA       SER   1  10.794   4.724   7.664
    5   1HB   SER   1          2HB       SER   1  11.493   3.580   9.731
    6   2HB   SER   1          1HB       SER   1  10.387   2.254   9.373
    7    HG   SER   1           HG       SER   1  12.880   2.544   8.560
    8    H    GLU   2           H        GLU   2   8.370   2.181   8.287
    9    HA   GLU   2           HA       GLU   2   8.301   1.660   5.391
   10   1HB   GLU   2          2HB       GLU   2   8.129  -0.089   7.767
   11   2HB   GLU   2          1HB       GLU   2   7.033  -0.484   6.451
   12   1HG   GLU   2          2HG       GLU   2   9.738   0.037   5.532
   13   2HG   GLU   2          1HG       GLU   2   9.652  -1.287   6.694
   14    HA   PRO   3           HA       PRO   3   4.090   2.796   4.765
   15   1HB   PRO   3          2HB       PRO   3   3.341  -0.054   4.360
   16   2HB   PRO   3          1HB       PRO   3   3.086   1.337   3.305
   17   1HG   PRO   3          2HG       PRO   3   4.971  -0.515   2.801
   18   2HG   PRO   3          1HG       PRO   3   5.188   1.190   2.383
   19   1HD   PRO   3          2HD       PRO   3   6.426  -0.397   4.553
   20   2HD   PRO   3          1HD       PRO   3   7.043   1.031   3.701
   21    H    TRP   4           H        TRP   4   4.804   0.192   6.973
   22    HA   TRP   4           HA       TRP   4   3.976  -0.276   9.043
   23   1HB   TRP   4          2HB       TRP   4   3.058   2.374   8.605
   24   2HB   TRP   4          1HB       TRP   4   1.701   1.459   9.255
   25    HD1  TRP   4           HD1      TRP   4   3.236  -0.404  11.294
   26    HE1  TRP   4           HE1      TRP   4   4.289   0.607  13.412
   27    HE3  TRP   4           HE3      TRP   4   3.623   4.459   9.766
   28    HZ2  TRP   4           HZ2      TRP   4   5.169   3.133  14.316
   29    HZ3  TRP   4           HZ3      TRP   4   4.582   6.110  11.318
   30    HH2  TRP   4           HH2      TRP   4   5.337   5.459  13.546
   31    H    PHE   5           H        PHE   5   3.146  -2.248   8.796
   32    HA   PHE   5           HA       PHE   5   0.895  -2.832   7.171
   33   1HB   PHE   5          2HB       PHE   5   1.016  -5.086   8.366
   34   2HB   PHE   5          1HB       PHE   5   2.441  -4.594   7.458
   35    HD1  PHE   5           HD1      PHE   5   1.018  -4.998  10.826
   36    HD2  PHE   5           HD2      PHE   5   4.518  -4.188   8.544
   37    HE1  PHE   5           HE1      PHE   5   2.399  -5.318  12.837
   38    HE2  PHE   5           HE2      PHE   5   5.905  -4.507  10.551
   39    HZ   PHE   5           HZ       PHE   5   4.846  -5.074  12.701
   40    H    PHE   6           H        PHE   6  -1.114  -2.309   7.610
   41    HA   PHE   6           HA       PHE   6  -2.074  -2.548  10.385
   42   1HB   PHE   6          2HB       PHE   6  -2.443  -0.333   8.407
   43   2HB   PHE   6          1HB       PHE   6  -3.754  -0.702   9.520
   44    HD1  PHE   6           HD1      PHE   6  -3.823   0.507  11.467
   45    HD2  PHE   6           HD2      PHE   6  -0.054  -0.223   9.629
   46    HE1  PHE   6           HE1      PHE   6  -2.719   1.846  13.209
   47    HE2  PHE   6           HE2      PHE   6   1.057   1.114  11.370
   48    HZ   PHE   6           HZ       PHE   6  -0.275   2.151  13.162
   49    H    GLY   7           H        GLY   7  -2.864  -4.620   9.982
   50   1HA   GLY   7          2HA       GLY   7  -4.588  -5.138   7.744
   51   2HA   GLY   7          1HA       GLY   7  -4.181  -6.253   9.038
   52    H    CYS   8           H        CYS   8  -5.251  -3.263  10.223
   53    HA   CYS   8           HA       CYS   8  -7.946  -4.357  10.492
   54   1HB   CYS   8          2HB       CYS   8  -6.196  -4.115  12.558
   55   2HB   CYS   8          1HB       CYS   8  -7.040  -2.574  12.654
   56    HG   CYS   8           HG       CYS   8  -8.123  -4.746  14.000
   57    H    ILE   9           H        ILE   9  -6.191  -1.870   9.206
   58    HA   ILE   9           HA       ILE   9  -7.937   0.323   9.810
   59    HB   ILE   9           HB       ILE   9  -6.742   1.496   7.971
   60   1HG1  ILE   9          2HG1      ILE   9  -4.577  -0.368   7.655
   61   2HG1  ILE   9          1HG1      ILE   9  -6.090  -1.139   7.183
   62   1HG2  ILE   9          1HG2      ILE   9  -4.387   1.139   9.106
   63   2HG2  ILE   9          2HG2      ILE   9  -5.364   0.265  10.287
   64   3HG2  ILE   9          3HG2      ILE   9  -5.708   1.959   9.939
   65   1HD1  ILE   9          1HD1      ILE   9  -6.517   0.484   5.546
   66   2HD1  ILE   9          2HD1      ILE   9  -4.816   0.056   5.378
   67   3HD1  ILE   9          3HD1      ILE   9  -5.271   1.559   6.177
   68    H    SER  10           H        SER  10 -10.004   0.178   9.149
   69    HA   SER  10           HA       SER  10 -10.950  -1.256   6.949
   70   1HB   SER  10          2HB       SER  10 -12.288  -0.288   8.904
   71   2HB   SER  10          1HB       SER  10 -12.278   1.235   8.017
   72    HG   SER  10           HG       SER  10 -13.271   0.097   6.269
   73    H    ARG  11           H        ARG  11 -11.884  -0.428   4.939
   74    HA   ARG  11           HA       ARG  11 -10.085   1.005   3.404
   75   1HB   ARG  11          2HB       ARG  11 -12.147  -0.472   2.742
   76   2HB   ARG  11          1HB       ARG  11 -12.990   1.069   2.713
   77   1HG   ARG  11          2HG       ARG  11 -11.951   1.760   0.836
   78   2HG   ARG  11          1HG       ARG  11 -10.431   0.968   1.255
   79   1HD   ARG  11          2HD       ARG  11 -10.931  -0.628  -0.205
   80   2HD   ARG  11          1HD       ARG  11 -12.271  -1.100   0.840
   81    HE   ARG  11           HE       ARG  11 -13.354   0.898  -0.576
   82   1HH1  ARG  11          2HH1      ARG  11 -11.518  -1.902  -1.565
   83   2HH1  ARG  11          1HH1      ARG  11 -12.293  -2.017  -3.108
   84   1HH2  ARG  11          1HH2      ARG  11 -14.376   0.742  -2.604
   85   2HH2  ARG  11          2HH2      ARG  11 -13.916  -0.521  -3.697
   86    H    SER  12           H        SER  12 -12.543   2.136   5.492
   87    HA   SER  12           HA       SER  12 -12.767   4.768   4.410
   88   1HB   SER  12          2HB       SER  12 -13.759   5.200   6.786
   89   2HB   SER  12          1HB       SER  12 -14.634   4.157   5.666
   90    HG   SER  12           HG       SER  12 -14.316   3.354   7.886
   91    H    GLU  13           H        GLU  13 -10.634   3.206   6.671
   92    HA   GLU  13           HA       GLU  13  -9.628   5.659   7.788
   93   1HB   GLU  13          2HB       GLU  13  -8.197   3.028   7.944
   94   2HB   GLU  13          1HB       GLU  13  -8.205   4.351   9.102
   95   1HG   GLU  13          2HG       GLU  13 -10.799   3.721   9.168
   96   2HG   GLU  13          1HG       GLU  13 -10.139   2.151   8.719
   97    H    ALA  14           H        ALA  14  -8.256   3.170   5.623
   98    HA   ALA  14           HA       ALA  14  -5.818   4.393   5.150
   99   1HB   ALA  14          1HB       ALA  14  -6.172   2.151   4.432
  100   2HB   ALA  14          2HB       ALA  14  -5.818   3.114   3.002
  101   3HB   ALA  14          3HB       ALA  14  -7.477   2.637   3.354
  102    H    VAL  15           H        VAL  15  -8.952   5.028   3.717
  103    HA   VAL  15           HA       VAL  15  -8.012   6.651   1.586
  104    HB   VAL  15           HB       VAL  15 -10.713   6.682   2.929
  105   1HG1  VAL  15          1HG1      VAL  15 -10.394   8.714   1.684
  106   2HG1  VAL  15          2HG1      VAL  15 -11.488   7.662   0.786
  107   3HG1  VAL  15          3HG1      VAL  15  -9.801   7.811   0.289
  108   1HG2  VAL  15          1HG2      VAL  15  -9.640   4.573   1.663
  109   2HG2  VAL  15          2HG2      VAL  15 -10.335   5.430   0.288
  110   3HG2  VAL  15          3HG2      VAL  15 -11.362   4.947   1.637
  111    H    ARG  16           H        ARG  16  -9.412   7.482   4.763
  112    HA   ARG  16           HA       ARG  16  -8.760  10.271   4.413
  113   1HB   ARG  16          2HB       ARG  16 -10.779   9.300   5.681
  114   2HB   ARG  16          1HB       ARG  16  -9.645   9.009   6.992
  115   1HG   ARG  16          2HG       ARG  16 -10.609  11.055   7.520
  116   2HG   ARG  16          1HG       ARG  16  -9.062  11.493   6.792
  117   1HD   ARG  16          2HD       ARG  16 -11.018  11.281   4.728
  118   2HD   ARG  16          1HD       ARG  16 -11.667  12.294   6.017
  119    HE   ARG  16           HE       ARG  16  -9.521  12.935   4.226
  120   1HH1  ARG  16          2HH1      ARG  16 -10.881  13.567   7.377
  121   2HH1  ARG  16          1HH1      ARG  16 -10.155  15.132   7.514
  122   1HH2  ARG  16          1HH2      ARG  16  -8.564  14.995   4.405
  123   2HH2  ARG  16          2HH2      ARG  16  -8.841  15.944   5.828
  124    H    ARG  17           H        ARG  17  -7.127   7.543   5.512
  125    HA   ARG  17           HA       ARG  17  -5.437   8.848   7.438
  126   1HB   ARG  17          2HB       ARG  17  -5.915   6.449   7.647
  127   2HB   ARG  17          1HB       ARG  17  -5.177   6.150   6.079
  128   1HG   ARG  17          2HG       ARG  17  -3.055   6.371   6.876
  129   2HG   ARG  17          1HG       ARG  17  -3.532   7.485   8.159
  130   1HD   ARG  17          2HD       ARG  17  -4.835   5.312   8.991
  131   2HD   ARG  17          1HD       ARG  17  -3.528   4.521   8.109
  132    HE   ARG  17           HE       ARG  17  -2.262   6.360   9.666
  133   1HH1  ARG  17          2HH1      ARG  17  -4.508   3.766  10.299
  134   2HH1  ARG  17          1HH1      ARG  17  -3.889   3.449  11.885
  135   1HH2  ARG  17          1HH2      ARG  17  -1.445   5.944  11.751
  136   2HH2  ARG  17          2HH2      ARG  17  -2.150   4.686  12.710
  137    H    LEU  18           H        LEU  18  -5.052   7.600   4.144
  138    HA   LEU  18           HA       LEU  18  -2.407   8.545   3.808
  139   1HB   LEU  18          2HB       LEU  18  -4.504   7.667   1.876
  140   2HB   LEU  18          1HB       LEU  18  -2.893   8.150   1.378
  141    HG   LEU  18           HG       LEU  18  -3.393   5.954   3.371
  142   1HD1  LEU  18          1HD1      LEU  18  -4.377   4.986   1.569
  143   2HD1  LEU  18          2HD1      LEU  18  -2.692   4.581   1.256
  144   3HD1  LEU  18          3HD1      LEU  18  -3.443   5.928   0.409
  145   1HD2  LEU  18          1HD2      LEU  18  -1.039   7.177   2.100
  146   2HD2  LEU  18          2HD2      LEU  18  -1.047   5.415   2.150
  147   3HD2  LEU  18          3HD2      LEU  18  -1.192   6.340   3.645
  148    H    GLN  19           H        GLN  19  -5.534   9.907   3.378
  149    HA   GLN  19           HA       GLN  19  -4.657  12.168   1.830
  150   1HB   GLN  19          2HB       GLN  19  -7.179  11.033   2.652
  151   2HB   GLN  19          1HB       GLN  19  -7.161  12.764   2.955
  152   1HG   GLN  19          2HG       GLN  19  -6.179  11.843   0.321
  153   2HG   GLN  19          1HG       GLN  19  -7.910  11.715   0.634
  154   1HE2  GLN  19          1HE2      GLN  19  -7.366  13.303  -1.336
  155   2HE2  GLN  19          2HE2      GLN  19  -7.455  14.972  -0.902
  156    H    ALA  20           H        ALA  20  -4.846  11.390   5.183
  157    HA   ALA  20           HA       ALA  20  -5.295  13.770   6.457
  158   1HB   ALA  20          1HB       ALA  20  -2.977  12.238   7.466
  159   2HB   ALA  20          2HB       ALA  20  -4.494  11.355   7.289
  160   3HB   ALA  20          3HB       ALA  20  -4.426  12.794   8.306
  161    H    GLU  21           H        GLU  21  -3.525  15.163   7.592
  162    HA   GLU  21           HA       GLU  21  -1.851  16.175   5.472
  163   1HB   GLU  21          2HB       GLU  21  -1.400  18.082   7.003
  164   2HB   GLU  21          1HB       GLU  21  -3.113  17.832   6.692
  165   1HG   GLU  21          2HG       GLU  21  -3.417  17.857   8.883
  166   2HG   GLU  21          1HG       GLU  21  -2.594  16.298   8.943
  167    H    GLY  22           H        GLY  22  -1.401  13.764   7.223
  168   1HA   GLY  22          2HA       GLY  22   1.317  14.330   8.165
  169   2HA   GLY  22          1HA       GLY  22   0.385  12.884   8.535
  170    H    ASN  23           H        ASN  23  -0.249  13.265   5.425
  171    HA   ASN  23           HA       ASN  23   1.993  11.562   4.575
  172   1HB   ASN  23          2HB       ASN  23  -0.787  11.771   3.414
  173   2HB   ASN  23          1HB       ASN  23   0.455  10.616   2.950
  174   1HD2  ASN  23          1HD2      ASN  23  -0.443   8.739   3.545
  175   2HD2  ASN  23          2HD2      ASN  23  -0.941   8.349   5.150
  176    H    ALA  24           H        ALA  24   3.377  12.341   3.162
  177    HA   ALA  24           HA       ALA  24   2.576  14.663   1.551
  178   1HB   ALA  24          1HB       ALA  24   4.655  15.545   1.771
  179   2HB   ALA  24          2HB       ALA  24   5.440  13.966   1.798
  180   3HB   ALA  24          3HB       ALA  24   4.639  14.577   3.247
  181    H    THR  25           H        THR  25   1.556  12.735   0.368
  182    HA   THR  25           HA       THR  25   1.411  11.443  -1.468
  183    HB   THR  25           HB       THR  25   2.756  12.077  -3.420
  184    HG1  THR  25           HG1      THR  25   4.118  13.920  -1.775
  185   1HG2  THR  25          1HG2      THR  25   0.843  13.520  -2.623
  186   2HG2  THR  25          2HG2      THR  25   2.021  14.286  -3.689
  187   3HG2  THR  25          3HG2      THR  25   2.067  14.598  -1.953
  188    H    GLY  26           H        GLY  26   2.021   9.471  -2.196
  189   1HA   GLY  26          2HA       GLY  26   3.380   7.598  -2.490
  190   2HA   GLY  26          1HA       GLY  26   4.723   8.489  -1.782
  191    H    ALA  27           H        ALA  27   2.674   9.188   0.453
  192    HA   ALA  27           HA       ALA  27   3.560   7.444   2.383
  193   1HB   ALA  27          1HB       ALA  27   1.539   8.147   3.675
  194   2HB   ALA  27          2HB       ALA  27   0.951   8.948   2.218
  195   3HB   ALA  27          3HB       ALA  27   2.444   9.493   2.981
  196    H    PHE  28           H        PHE  28   3.282   5.304   2.548
  197    HA   PHE  28           HA       PHE  28   0.857   4.110   1.330
  198   1HB   PHE  28          2HB       PHE  28   2.404   2.089   1.034
  199   2HB   PHE  28          1HB       PHE  28   2.653   3.474  -0.014
  200    HD1  PHE  28           HD1      PHE  28   4.874   2.506  -0.495
  201    HD2  PHE  28           HD2      PHE  28   3.832   3.829   3.388
  202    HE1  PHE  28           HE1      PHE  28   7.252   2.558   0.112
  203    HE2  PHE  28           HE2      PHE  28   6.202   3.881   4.020
  204    HZ   PHE  28           HZ       PHE  28   7.922   3.246   2.378
  205    H    LEU  29           H        LEU  29   0.270   2.031   2.179
  206    HA   LEU  29           HA       LEU  29   1.115   1.288   4.812
  207   1HB   LEU  29          2HB       LEU  29  -1.147   1.440   5.801
  208   2HB   LEU  29          1HB       LEU  29  -0.380   2.981   5.501
  209    HG   LEU  29           HG       LEU  29  -2.354   3.604   4.628
  210   1HD1  LEU  29          1HD1      LEU  29  -2.832   3.016   2.331
  211   2HD1  LEU  29          2HD1      LEU  29  -1.624   1.741   2.401
  212   3HD1  LEU  29          3HD1      LEU  29  -1.139   3.426   2.570
  213   1HD2  LEU  29          1HD2      LEU  29  -3.280   1.483   5.665
  214   2HD2  LEU  29          2HD2      LEU  29  -3.160   0.771   4.057
  215   3HD2  LEU  29          3HD2      LEU  29  -4.193   2.174   4.325
  216    H    ILE  30           H        ILE  30   0.730  -0.816   5.221
  217    HA   ILE  30           HA       ILE  30  -0.625  -2.292   3.066
  218    HB   ILE  30           HB       ILE  30   1.252  -3.459   5.094
  219   1HG1  ILE  30          2HG1      ILE  30   2.212  -1.548   3.605
  220   2HG1  ILE  30          1HG1      ILE  30   3.113  -3.047   3.763
  221   1HG2  ILE  30          1HG2      ILE  30  -0.341  -4.901   3.781
  222   2HG2  ILE  30          2HG2      ILE  30   1.367  -5.324   3.673
  223   3HG2  ILE  30          3HG2      ILE  30   0.586  -4.460   2.348
  224   1HD1  ILE  30          1HD1      ILE  30   2.626  -1.838   1.432
  225   2HD1  ILE  30          2HD1      ILE  30   1.229  -2.912   1.503
  226   3HD1  ILE  30          3HD1      ILE  30   2.860  -3.573   1.597
  227    H    ARG  31           H        ARG  31  -2.581  -3.057   3.523
  228    HA   ARG  31           HA       ARG  31  -3.202  -3.666   6.339
  229   1HB   ARG  31          2HB       ARG  31  -5.485  -3.025   5.905
  230   2HB   ARG  31          1HB       ARG  31  -4.439  -1.736   5.326
  231   1HG   ARG  31          2HG       ARG  31  -4.620  -2.938   3.051
  232   2HG   ARG  31          1HG       ARG  31  -6.027  -3.715   3.767
  233   1HD   ARG  31          2HD       ARG  31  -5.987  -0.833   4.161
  234   2HD   ARG  31          1HD       ARG  31  -5.995  -1.296   2.466
  235    HE   ARG  31           HE       ARG  31  -7.969  -2.474   4.280
  236   1HH1  ARG  31          2HH1      ARG  31  -7.244  -0.362   1.588
  237   2HH1  ARG  31          1HH1      ARG  31  -8.891  -0.262   1.069
  238   1HH2  ARG  31          1HH2      ARG  31 -10.131  -2.328   3.596
  239   2HH2  ARG  31          2HH2      ARG  31 -10.525  -1.376   2.204
  240    H    VAL  32           H        VAL  32  -5.566  -4.990   6.045
  241    HA   VAL  32           HA       VAL  32  -4.663  -7.481   4.796
  242    HB   VAL  32           HB       VAL  32  -6.530  -8.555   6.006
  243   1HG1  VAL  32          1HG1      VAL  32  -5.574  -7.531   8.378
  244   2HG1  VAL  32          2HG1      VAL  32  -4.270  -7.204   7.237
  245   3HG1  VAL  32          3HG1      VAL  32  -4.860  -8.851   7.452
  246   1HG2  VAL  32          1HG2      VAL  32  -8.100  -6.714   6.055
  247   2HG2  VAL  32          2HG2      VAL  32  -7.019  -5.784   7.093
  248   3HG2  VAL  32          3HG2      VAL  32  -7.769  -7.261   7.700
  249    H    SER  33           H        SER  33  -5.965  -8.699   3.400
  250    HA   SER  33           HA       SER  33  -7.375  -7.159   1.477
  251   1HB   SER  33          2HB       SER  33  -8.016  -9.687   0.791
  252   2HB   SER  33          1HB       SER  33  -6.461  -8.950   0.409
  253    HG   SER  33           HG       SER  33  -7.038 -10.553   2.682
  254    H    GLU  34           H        GLU  34  -9.079  -6.178   2.690
  255    HA   GLU  34           HA       GLU  34 -11.016  -7.656   4.105
  256   1HB   GLU  34          2HB       GLU  34 -12.365  -5.645   4.066
  257   2HB   GLU  34          1HB       GLU  34 -10.687  -5.218   4.373
  258   1HG   GLU  34          2HG       GLU  34 -10.586  -3.940   2.567
  259   2HG   GLU  34          1HG       GLU  34 -11.297  -5.189   1.550
  260    H    LYS  35           H        LYS  35 -10.429  -7.298   0.799
  261    HA   LYS  35           HA       LYS  35 -13.092  -8.349   0.136
  262   1HB   LYS  35          2HB       LYS  35 -11.758  -7.561  -2.251
  263   2HB   LYS  35          1HB       LYS  35 -13.215  -6.888  -1.543
  264   1HG   LYS  35          2HG       LYS  35 -10.653  -5.954  -0.403
  265   2HG   LYS  35          1HG       LYS  35 -11.023  -5.456  -2.051
  266   1HD   LYS  35          2HD       LYS  35 -12.844  -5.091   0.321
  267   2HD   LYS  35          1HD       LYS  35 -11.809  -3.838  -0.366
  268   1HE   LYS  35          2HE       LYS  35 -14.219  -5.163  -1.570
  269   2HE   LYS  35          1HE       LYS  35 -13.922  -3.446  -1.303
  270   1HZ   LYS  35          1HZ       LYS  35 -11.942  -3.957  -2.947
  271   2HZ   LYS  35          2HZ       LYS  35 -13.486  -3.562  -3.509
  272   3HZ   LYS  35          3HZ       LYS  35 -12.992  -5.179  -3.461
  273    HA   PRO  36           HA       PRO  36  -9.887 -10.952  -2.516
  274   1HB   PRO  36          2HB       PRO  36  -7.434 -10.439  -0.920
  275   2HB   PRO  36          1HB       PRO  36  -7.625 -10.598  -2.668
  276   1HG   PRO  36          2HG       PRO  36  -7.207  -8.219  -1.555
  277   2HG   PRO  36          1HG       PRO  36  -8.315  -8.405  -2.927
  278   1HD   PRO  36          2HD       PRO  36  -8.930  -8.072  -0.022
  279   2HD   PRO  36          1HD       PRO  36  -9.750  -7.387  -1.438
  280    H    SER  37           H        SER  37  -8.360 -12.889  -1.754
  281    HA   SER  37           HA       SER  37  -9.336 -13.797   0.875
  282   1HB   SER  37          2HB       SER  37  -9.748 -15.972   0.030
  283   2HB   SER  37          1HB       SER  37 -10.430 -14.879  -1.172
  284    HG   SER  37           HG       SER  37  -8.441 -15.135  -2.347
  285    H    ALA  38           H        ALA  38  -7.697 -14.023   2.239
  286    HA   ALA  38           HA       ALA  38  -5.636 -14.455   3.103
  287   1HB   ALA  38          1HB       ALA  38  -5.975 -16.491   0.980
  288   2HB   ALA  38          2HB       ALA  38  -5.689 -16.690   2.709
  289   3HB   ALA  38          3HB       ALA  38  -4.352 -16.278   1.635
  290    H    ASP  39           H        ASP  39  -5.597 -12.132   1.868
  291    HA   ASP  39           HA       ASP  39  -2.944 -12.056   0.650
  292   1HB   ASP  39          2HB       ASP  39  -5.242 -10.530  -0.578
  293   2HB   ASP  39          1HB       ASP  39  -3.614 -10.727  -1.215
  294    H    TYR  40           H        TYR  40  -2.907  -9.347   0.003
  295    HA   TYR  40           HA       TYR  40  -3.668  -7.863   2.409
  296   1HB   TYR  40          2HB       TYR  40  -0.927  -8.703   1.776
  297   2HB   TYR  40          1HB       TYR  40  -1.066  -6.953   1.821
  298    HD1  TYR  40           HD1      TYR  40  -3.338  -8.775   3.996
  299    HD2  TYR  40           HD2      TYR  40   0.537  -7.047   3.717
  300    HE1  TYR  40           HE1      TYR  40  -3.141  -8.831   6.441
  301    HE2  TYR  40           HE2      TYR  40   0.741  -7.094   6.164
  302    HH   TYR  40           HH       TYR  40  -0.324  -8.531   8.072
  303    H    VAL  41           H        VAL  41  -3.943  -5.696   2.018
  304    HA   VAL  41           HA       VAL  41  -3.681  -4.967  -0.827
  305    HB   VAL  41           HB       VAL  41  -5.595  -3.284  -0.213
  306   1HG1  VAL  41          1HG1      VAL  41  -7.184  -5.426  -0.602
  307   2HG1  VAL  41          2HG1      VAL  41  -5.625  -6.130  -1.031
  308   3HG1  VAL  41          3HG1      VAL  41  -6.210  -4.699  -1.880
  309   1HG2  VAL  41          1HG2      VAL  41  -5.389  -4.681   2.206
  310   2HG2  VAL  41          2HG2      VAL  41  -6.841  -5.307   1.435
  311   3HG2  VAL  41          3HG2      VAL  41  -6.673  -3.577   1.722
  312    H    LEU  42           H        LEU  42  -2.720  -3.106  -1.340
  313    HA   LEU  42           HA       LEU  42  -1.622  -1.566   0.903
  314   1HB   LEU  42          2HB       LEU  42   0.055  -2.633  -0.496
  315   2HB   LEU  42          1HB       LEU  42  -0.631  -1.880  -1.923
  316    HG   LEU  42           HG       LEU  42  -0.015   0.349  -1.048
  317   1HD1  LEU  42          1HD1      LEU  42   0.311   0.560   1.126
  318   2HD1  LEU  42          2HD1      LEU  42   1.839  -0.290   0.941
  319   3HD1  LEU  42          3HD1      LEU  42   0.376  -1.184   1.361
  320   1HD2  LEU  42          1HD2      LEU  42   1.507  -1.111  -2.459
  321   2HD2  LEU  42          2HD2      LEU  42   2.356  -1.513  -0.967
  322   3HD2  LEU  42          3HD2      LEU  42   2.291   0.157  -1.523
  323    H    SER  43           H        SER  43  -1.608   0.658   0.816
  324    HA   SER  43           HA       SER  43  -3.069   1.900  -1.358
  325   1HB   SER  43          2HB       SER  43  -4.078   3.261   0.756
  326   2HB   SER  43          1HB       SER  43  -4.899   2.020  -0.172
  327    HG   SER  43           HG       SER  43  -4.477   1.918   2.349
  328    H    VAL  44           H        VAL  44  -2.873   4.162  -1.493
  329    HA   VAL  44           HA       VAL  44  -0.730   5.370   0.064
  330    HB   VAL  44           HB       VAL  44   0.418   4.073  -1.733
  331   1HG1  VAL  44          1HG1      VAL  44   0.298   4.950  -4.041
  332   2HG1  VAL  44          2HG1      VAL  44  -1.013   6.016  -3.541
  333   3HG1  VAL  44          3HG1      VAL  44  -1.231   4.270  -3.485
  334   1HG2  VAL  44          1HG2      VAL  44   1.377   6.494  -2.697
  335   2HG2  VAL  44          2HG2      VAL  44   1.961   5.612  -1.287
  336   3HG2  VAL  44          3HG2      VAL  44   0.747   6.876  -1.095
  337    H    ARG  45           H        ARG  45  -0.740   7.587   0.055
  338    HA   ARG  45           HA       ARG  45  -3.078   8.922  -0.792
  339   1HB   ARG  45          2HB       ARG  45  -1.588   9.711   1.058
  340   2HB   ARG  45          1HB       ARG  45  -0.387  10.147  -0.147
  341   1HG   ARG  45          2HG       ARG  45  -2.442  11.514  -1.130
  342   2HG   ARG  45          1HG       ARG  45  -2.927  11.481   0.564
  343   1HD   ARG  45          2HD       ARG  45  -0.902  12.531   1.244
  344   2HD   ARG  45          1HD       ARG  45  -0.197  12.339  -0.361
  345    HE   ARG  45           HE       ARG  45  -1.252  14.258  -0.998
  346   1HH1  ARG  45          2HH1      ARG  45  -2.824  13.038   1.869
  347   2HH1  ARG  45          1HH1      ARG  45  -3.856  14.418   2.042
  348   1HH2  ARG  45          1HH2      ARG  45  -2.607  16.074  -0.772
  349   2HH2  ARG  45          2HH2      ARG  45  -3.733  16.142   0.543
  350    H    ASP  46           H        ASP  46  -0.298   7.908  -2.393
  351    HA   ASP  46           HA       ASP  46   0.480   8.180  -4.510
  352   1HB   ASP  46          2HB       ASP  46  -2.360   8.415  -4.702
  353   2HB   ASP  46          1HB       ASP  46  -1.620   9.502  -5.869
  354    H    THR  47           H        THR  47  -1.520  10.963  -5.017
  355    HA   THR  47           HA       THR  47   0.774  12.733  -4.576
  356    HB   THR  47           HB       THR  47   0.884  12.481  -6.898
  357    HG1  THR  47           HG1      THR  47   0.908  14.582  -6.906
  358   1HG2  THR  47          1HG2      THR  47  -1.158  11.260  -7.308
  359   2HG2  THR  47          2HG2      THR  47  -1.031  12.630  -8.411
  360   3HG2  THR  47          3HG2      THR  47  -2.112  12.715  -7.020
  361    H    GLN  48           H        GLN  48  -2.418  12.097  -3.938
  362    HA   GLN  48           HA       GLN  48  -2.889  14.302  -2.374
  363   1HB   GLN  48          2HB       GLN  48  -3.346  14.839  -5.193
  364   2HB   GLN  48          1HB       GLN  48  -4.793  15.106  -4.231
  365   1HG   GLN  48          2HG       GLN  48  -2.990  16.376  -2.703
  366   2HG   GLN  48          1HG       GLN  48  -2.252  16.591  -4.289
  367   1HE2  GLN  48          1HE2      GLN  48  -3.316  17.804  -5.849
  368   2HE2  GLN  48          2HE2      GLN  48  -4.627  18.861  -5.459
  369    H    ALA  49           H        ALA  49  -4.258  11.986  -4.538
  370    HA   ALA  49           HA       ALA  49  -6.519  11.573  -2.697
  371   1HB   ALA  49          1HB       ALA  49  -7.468  12.101  -4.759
  372   2HB   ALA  49          2HB       ALA  49  -7.501  10.338  -4.734
  373   3HB   ALA  49          3HB       ALA  49  -6.261  11.184  -5.659
  374    H    VAL  50           H        VAL  50  -6.990   9.480  -1.987
  375    HA   VAL  50           HA       VAL  50  -4.748   7.752  -1.766
  376    HB   VAL  50           HB       VAL  50  -7.634   7.247  -1.019
  377   1HG1  VAL  50          1HG1      VAL  50  -6.534   5.497   0.491
  378   2HG1  VAL  50          2HG1      VAL  50  -5.125   5.651  -0.558
  379   3HG1  VAL  50          3HG1      VAL  50  -6.664   5.111  -1.225
  380   1HG2  VAL  50          1HG2      VAL  50  -7.064   8.859   0.464
  381   2HG2  VAL  50          2HG2      VAL  50  -5.336   8.553   0.301
  382   3HG2  VAL  50          3HG2      VAL  50  -6.327   7.494   1.302
  383    H    ARG  51           H        ARG  51  -4.421   5.717  -2.546
  384    HA   ARG  51           HA       ARG  51  -6.163   4.724  -4.669
  385   1HB   ARG  51          2HB       ARG  51  -3.174   5.053  -4.985
  386   2HB   ARG  51          1HB       ARG  51  -4.274   4.361  -6.171
  387   1HG   ARG  51          2HG       ARG  51  -5.460   6.663  -6.031
  388   2HG   ARG  51          1HG       ARG  51  -3.929   7.208  -5.341
  389   1HD   ARG  51          2HD       ARG  51  -3.316   7.531  -7.467
  390   2HD   ARG  51          1HD       ARG  51  -3.090   5.784  -7.505
  391    HE   ARG  51           HE       ARG  51  -5.691   6.063  -8.157
  392   1HH1  ARG  51          2HH1      ARG  51  -2.778   7.541  -9.385
  393   2HH1  ARG  51          1HH1      ARG  51  -3.408   7.747 -10.984
  394   1HH2  ARG  51          1HH2      ARG  51  -6.522   6.334 -10.259
  395   2HH2  ARG  51          2HH2      ARG  51  -5.533   7.063 -11.480
  396    H    HIS  52           H        HIS  52  -6.754   2.868  -3.740
  397    HA   HIS  52           HA       HIS  52  -4.900   1.371  -2.110
  398   1HB   HIS  52          2HB       HIS  52  -7.748   0.702  -2.923
  399   2HB   HIS  52          1HB       HIS  52  -6.821  -0.061  -1.627
  400    HD1  HIS  52           HD1      HIS  52  -6.338   1.367   0.473
  401    HD2  HIS  52           HD2      HIS  52  -8.852   3.180  -2.282
  402    HE1  HIS  52           HE1      HIS  52  -7.092   3.481   1.554
  403    HE2  HIS  52           HE2      HIS  52  -8.564   4.606  -0.143
  404    H    TYR  53           H        TYR  53  -4.672  -1.001  -2.426
  405    HA   TYR  53           HA       TYR  53  -4.844  -1.934  -5.176
  406   1HB   TYR  53          2HB       TYR  53  -2.183  -2.051  -3.788
  407   2HB   TYR  53          1HB       TYR  53  -2.540  -2.246  -5.500
  408    HD1  TYR  53           HD1      TYR  53  -1.480   0.032  -2.951
  409    HD2  TYR  53           HD2      TYR  53  -3.369  -0.171  -6.757
  410    HE1  TYR  53           HE1      TYR  53  -0.903   2.384  -3.364
  411    HE2  TYR  53           HE2      TYR  53  -2.799   2.178  -7.179
  412    HH   TYR  53           HH       TYR  53  -2.037   4.084  -6.245
  413    H    LYS  54           H        LYS  54  -4.417  -4.178  -5.416
  414    HA   LYS  54           HA       LYS  54  -4.868  -5.724  -2.967
  415   1HB   LYS  54          2HB       LYS  54  -6.467  -5.914  -4.935
  416   2HB   LYS  54          1HB       LYS  54  -5.154  -6.680  -5.817
  417   1HG   LYS  54          2HG       LYS  54  -5.077  -8.483  -4.216
  418   2HG   LYS  54          1HG       LYS  54  -6.311  -7.695  -3.232
  419   1HD   LYS  54          2HD       LYS  54  -7.268  -9.486  -4.597
  420   2HD   LYS  54          1HD       LYS  54  -7.917  -7.912  -5.058
  421   1HE   LYS  54          2HE       LYS  54  -6.476  -7.819  -6.978
  422   2HE   LYS  54          1HE       LYS  54  -5.638  -9.285  -6.473
  423   1HZ   LYS  54          1HZ       LYS  54  -7.196  -9.819  -8.190
  424   2HZ   LYS  54          2HZ       LYS  54  -8.464  -9.074  -7.355
  425   3HZ   LYS  54          3HZ       LYS  54  -7.761 -10.483  -6.740
  426    H    ILE  55           H        ILE  55  -3.121  -6.641  -2.117
  427    HA   ILE  55           HA       ILE  55  -0.826  -7.252  -3.838
  428    HB   ILE  55           HB       ILE  55  -0.727  -7.638  -0.891
  429   1HG1  ILE  55          2HG1      ILE  55  -0.193  -4.878  -1.925
  430   2HG1  ILE  55          1HG1      ILE  55  -1.844  -5.330  -1.516
  431   1HG2  ILE  55          1HG2      ILE  55   1.413  -7.887  -1.360
  432   2HG2  ILE  55          2HG2      ILE  55   1.484  -6.209  -1.884
  433   3HG2  ILE  55          3HG2      ILE  55   1.114  -7.481  -3.046
  434   1HD1  ILE  55          1HD1      ILE  55   0.072  -6.050   0.542
  435   2HD1  ILE  55          2HD1      ILE  55  -1.451  -5.173   0.665
  436   3HD1  ILE  55          3HD1      ILE  55   0.021  -4.322   0.208
  437    H    TRP  56           H        TRP  56  -1.352  -9.156  -4.789
  438    HA   TRP  56           HA       TRP  56  -2.554 -11.303  -3.281
  439   1HB   TRP  56          2HB       TRP  56  -2.906 -10.602  -5.791
  440   2HB   TRP  56          1HB       TRP  56  -1.516 -11.644  -6.063
  441    HD1  TRP  56           HD1      TRP  56  -2.219 -14.019  -4.092
  442    HE1  TRP  56           HE1      TRP  56  -4.202 -15.571  -4.611
  443    HE3  TRP  56           HE3      TRP  56  -4.844 -10.956  -7.231
  444    HZ2  TRP  56           HZ2      TRP  56  -6.568 -15.507  -6.150
  445    HZ3  TRP  56           HZ3      TRP  56  -6.958 -11.779  -8.186
  446    HH2  TRP  56           HH2      TRP  56  -7.800 -14.008  -7.655
  447    H    ARG  57           H        ARG  57  -1.603 -13.052  -2.475
  448    HA   ARG  57           HA       ARG  57   1.287 -13.150  -2.428
  449   1HB   ARG  57          2HB       ARG  57  -0.315 -13.576  -0.447
  450   2HB   ARG  57          1HB       ARG  57  -0.552 -15.166  -1.161
  451   1HG   ARG  57          2HG       ARG  57   2.096 -15.170  -1.120
  452   2HG   ARG  57          1HG       ARG  57   1.823 -14.027   0.196
  453   1HD   ARG  57          2HD       ARG  57   0.242 -15.725   1.183
  454   2HD   ARG  57          1HD       ARG  57   0.835 -16.862  -0.026
  455    HE   ARG  57           HE       ARG  57   2.778 -17.079   1.172
  456   1HH1  ARG  57          2HH1      ARG  57   1.010 -14.312   2.357
  457   2HH1  ARG  57          1HH1      ARG  57   2.047 -14.080   3.724
  458   1HH2  ARG  57          1HH2      ARG  57   4.143 -16.773   2.969
  459   2HH2  ARG  57          2HH2      ARG  57   3.826 -15.476   4.071
  460    H    ARG  58           H        ARG  58   2.525 -15.002  -3.023
  461    HA   ARG  58           HA       ARG  58   1.406 -16.393  -5.327
  462   1HB   ARG  58          2HB       ARG  58   4.197 -16.024  -4.272
  463   2HB   ARG  58          1HB       ARG  58   3.842 -17.185  -5.541
  464   1HG   ARG  58          2HG       ARG  58   3.017 -14.321  -5.808
  465   2HG   ARG  58          1HG       ARG  58   4.655 -14.841  -6.205
  466   1HD   ARG  58          2HD       ARG  58   2.208 -16.149  -7.363
  467   2HD   ARG  58          1HD       ARG  58   2.994 -14.762  -8.118
  468    HE   ARG  58           HE       ARG  58   3.907 -17.479  -8.121
  469   1HH1  ARG  58          2HH1      ARG  58   4.917 -14.144  -8.323
  470   2HH1  ARG  58          1HH1      ARG  58   6.373 -14.508  -9.186
  471   1HH2  ARG  58          1HH2      ARG  58   5.823 -17.959  -9.256
  472   2HH2  ARG  58          2HH2      ARG  58   6.888 -16.673  -9.716
  473    H    ALA  59           H        ALA  59   0.869 -17.055  -2.383
  474    HA   ALA  59           HA       ALA  59   0.586 -18.898  -1.079
  475   1HB   ALA  59          1HB       ALA  59  -0.156 -20.844  -2.156
  476   2HB   ALA  59          2HB       ALA  59   0.836 -20.537  -3.582
  477   3HB   ALA  59          3HB       ALA  59  -0.577 -19.532  -3.258
  478    H    GLY  60           H        GLY  60   2.912 -18.250  -0.451
  479   1HA   GLY  60          2HA       GLY  60   4.377 -20.399   0.310
  480   2HA   GLY  60          1HA       GLY  60   4.991 -20.062  -1.302
  481    H    GLY  61           H        GLY  61   4.884 -17.274  -1.297
  482   1HA   GLY  61          2HA       GLY  61   5.775 -15.792   0.766
  483   2HA   GLY  61          1HA       GLY  61   7.209 -16.713   0.339
  484    H    ARG  62           H        ARG  62   4.708 -14.650  -1.132
  485    HA   ARG  62           HA       ARG  62   6.566 -12.884  -2.285
  486   1HB   ARG  62          2HB       ARG  62   6.806 -15.039  -3.706
  487   2HB   ARG  62          1HB       ARG  62   5.254 -14.574  -4.382
  488   1HG   ARG  62          2HG       ARG  62   6.240 -12.392  -5.023
  489   2HG   ARG  62          1HG       ARG  62   7.805 -12.989  -4.469
  490   1HD   ARG  62          2HD       ARG  62   6.956 -15.004  -6.119
  491   2HD   ARG  62          1HD       ARG  62   6.332 -13.567  -6.927
  492    HE   ARG  62           HE       ARG  62   8.481 -12.965  -7.453
  493   1HH1  ARG  62          2HH1      ARG  62   8.561 -15.479  -5.035
  494   2HH1  ARG  62          1HH1      ARG  62  10.273 -15.711  -5.154
  495   1HH2  ARG  62          1HH2      ARG  62  10.732 -13.268  -7.610
  496   2HH2  ARG  62          2HH2      ARG  62  11.506 -14.456  -6.615
  497    H    LEU  63           H        LEU  63   5.582 -11.073  -3.078
  498    HA   LEU  63           HA       LEU  63   2.638 -11.104  -3.160
  499   1HB   LEU  63          2HB       LEU  63   4.516  -9.077  -1.975
  500   2HB   LEU  63          1HB       LEU  63   2.877  -8.653  -2.431
  501    HG   LEU  63           HG       LEU  63   3.114  -9.178  -0.024
  502   1HD1  LEU  63          1HD1      LEU  63   1.431 -11.390  -0.988
  503   2HD1  LEU  63          2HD1      LEU  63   1.089  -9.811  -1.696
  504   3HD1  LEU  63          3HD1      LEU  63   1.028 -10.026   0.054
  505   1HD2  LEU  63          1HD2      LEU  63   3.873 -11.168   0.779
  506   2HD2  LEU  63          2HD2      LEU  63   4.822 -11.089  -0.705
  507   3HD2  LEU  63          3HD2      LEU  63   3.356 -12.068  -0.646
  508    H    HIS  64           H        HIS  64   1.631  -9.741  -4.654
  509    HA   HIS  64           HA       HIS  64   3.220  -8.172  -6.461
  510   1HB   HIS  64          2HB       HIS  64   2.596  -9.369  -8.489
  511   2HB   HIS  64          1HB       HIS  64   3.484 -10.432  -7.407
  512    HD1  HIS  64           HD1      HIS  64   0.184  -9.980  -9.037
  513    HD2  HIS  64           HD2      HIS  64   1.945 -12.515  -6.255
  514    HE1  HIS  64           HE1      HIS  64  -1.383 -11.935  -8.822
  515    HE2  HIS  64           HE2      HIS  64  -0.328 -13.427  -7.088
  516    H    LEU  65           H        LEU  65   2.023  -6.375  -6.180
  517    HA   LEU  65           HA       LEU  65  -0.749  -6.323  -5.817
  518   1HB   LEU  65          2HB       LEU  65   1.262  -4.269  -6.651
  519   2HB   LEU  65          1HB       LEU  65  -0.448  -3.881  -6.680
  520    HG   LEU  65           HG       LEU  65  -0.596  -4.417  -4.276
  521   1HD1  LEU  65          1HD1      LEU  65   1.414  -4.760  -2.979
  522   2HD1  LEU  65          2HD1      LEU  65   2.401  -4.698  -4.434
  523   3HD1  LEU  65          3HD1      LEU  65   1.260  -6.018  -4.201
  524   1HD2  LEU  65          1HD2      LEU  65  -0.216  -2.260  -3.922
  525   2HD2  LEU  65          2HD2      LEU  65   0.590  -2.171  -5.488
  526   3HD2  LEU  65          3HD2      LEU  65   1.525  -2.510  -4.033
  527    H    ASN  66           H        ASN  66   1.190  -6.670  -8.585
  528    HA   ASN  66           HA       ASN  66  -1.157  -6.854 -10.293
  529   1HB   ASN  66          2HB       ASN  66   0.391  -4.579 -10.367
  530   2HB   ASN  66          1HB       ASN  66   1.099  -5.558 -11.648
  531   1HD2  ASN  66          1HD2      ASN  66   0.001  -5.862 -13.514
  532   2HD2  ASN  66          2HD2      ASN  66  -1.521  -5.127 -13.870
  533    H    GLU  67           H        GLU  67  -0.340  -7.650 -12.576
  534    HA   GLU  67           HA       GLU  67   1.078 -10.099 -12.055
  535   1HB   GLU  67          2HB       GLU  67   0.656 -10.504 -14.512
  536   2HB   GLU  67          1HB       GLU  67  -0.776 -10.278 -13.518
  537   1HG   GLU  67          2HG       GLU  67  -1.372  -8.388 -14.570
  538   2HG   GLU  67          1HG       GLU  67   0.293  -7.831 -14.739
  539    H    ALA  68           H        ALA  68   2.529  -7.423 -11.995
  540    HA   ALA  68           HA       ALA  68   4.819  -8.340 -13.530
  541   1HB   ALA  68          1HB       ALA  68   5.045  -6.541 -14.921
  542   2HB   ALA  68          2HB       ALA  68   4.134  -5.465 -13.861
  543   3HB   ALA  68          3HB       ALA  68   3.287  -6.659 -14.845
  544    H    VAL  69           H        VAL  69   3.816  -7.587 -10.623
  545    HA   VAL  69           HA       VAL  69   6.369  -6.314  -9.909
  546    HB   VAL  69           HB       VAL  69   5.300  -4.879  -8.259
  547   1HG1  VAL  69          1HG1      VAL  69   4.640  -3.225  -9.718
  548   2HG1  VAL  69          2HG1      VAL  69   3.769  -4.346 -10.764
  549   3HG1  VAL  69          3HG1      VAL  69   5.531  -4.301 -10.793
  550   1HG2  VAL  69          1HG2      VAL  69   2.569  -5.112  -9.209
  551   2HG2  VAL  69          2HG2      VAL  69   3.194  -5.109  -7.561
  552   3HG2  VAL  69          3HG2      VAL  69   3.147  -6.611  -8.481
  553    H    SER  70           H        SER  70   6.458  -8.848  -9.627
  554    HA   SER  70           HA       SER  70   5.301  -9.775  -7.144
  555   1HB   SER  70          2HB       SER  70   7.371 -11.414  -8.482
  556   2HB   SER  70          1HB       SER  70   5.787 -11.879  -7.861
  557    HG   SER  70           HG       SER  70   4.847 -10.997  -9.703
  558    H    PHE  71           H        PHE  71   6.298 -10.047  -5.226
  559    HA   PHE  71           HA       PHE  71   9.172  -9.917  -4.965
  560   1HB   PHE  71          2HB       PHE  71   7.514  -7.571  -4.509
  561   2HB   PHE  71          1HB       PHE  71   8.424  -8.025  -3.069
  562    HD1  PHE  71           HD1      PHE  71  10.890  -8.148  -3.159
  563    HD2  PHE  71           HD2      PHE  71   8.590  -6.647  -6.408
  564    HE1  PHE  71           HE1      PHE  71  12.910  -7.102  -4.099
  565    HE2  PHE  71           HE2      PHE  71  10.605  -5.598  -7.355
  566    HZ   PHE  71           HZ       PHE  71  12.768  -5.826  -6.201
  567    H    LEU  72           H        LEU  72   9.745 -11.302  -3.539
  568    HA   LEU  72           HA       LEU  72   8.557 -13.159  -2.185
  569   1HB   LEU  72          2HB       LEU  72  10.233 -12.757  -0.260
  570   2HB   LEU  72          1HB       LEU  72  10.833 -13.090  -1.875
  571    HG   LEU  72           HG       LEU  72  10.870 -10.472  -2.090
  572   1HD1  LEU  72          1HD1      LEU  72  10.167 -10.865   0.670
  573   2HD1  LEU  72          2HD1      LEU  72  10.313  -9.367  -0.246
  574   3HD1  LEU  72          3HD1      LEU  72  11.727 -10.052   0.552
  575   1HD2  LEU  72          1HD2      LEU  72  12.759 -12.354  -1.781
  576   2HD2  LEU  72          2HD2      LEU  72  13.032 -11.421  -0.310
  577   3HD2  LEU  72          3HD2      LEU  72  13.116 -10.631  -1.886
  578    H    SER  73           H        SER  73   8.540  -9.836  -0.906
  579    HA   SER  73           HA       SER  73   6.241 -10.540   0.724
  580   1HB   SER  73          2HB       SER  73   8.297 -10.927   2.128
  581   2HB   SER  73          1HB       SER  73   8.634  -9.201   1.990
  582    HG   SER  73           HG       SER  73   6.644 -10.525   3.420
  583    H    LEU  74           H        LEU  74   5.379  -8.527   1.884
  584    HA   LEU  74           HA       LEU  74   4.766  -6.590  -0.015
  585   1HB   LEU  74          2HB       LEU  74   4.151  -7.060   2.742
  586   2HB   LEU  74          1HB       LEU  74   4.496  -5.359   2.503
  587    HG   LEU  74           HG       LEU  74   2.256  -5.367   2.118
  588   1HD1  LEU  74          1HD1      LEU  74   2.958  -6.196  -0.657
  589   2HD1  LEU  74          2HD1      LEU  74   3.602  -4.706   0.029
  590   3HD1  LEU  74          3HD1      LEU  74   1.861  -4.929  -0.113
  591   1HD2  LEU  74          1HD2      LEU  74   1.924  -7.725   0.444
  592   2HD2  LEU  74          2HD2      LEU  74   0.997  -7.189   1.844
  593   3HD2  LEU  74          3HD2      LEU  74   2.499  -8.086   2.071
  594    HA   PRO  75           HA       PRO  75   7.835  -3.624   2.667
  595   1HB   PRO  75          2HB       PRO  75   9.973  -5.505   3.154
  596   2HB   PRO  75          1HB       PRO  75   9.087  -4.519   4.317
  597   1HG   PRO  75          2HG       PRO  75   8.696  -7.335   3.574
  598   2HG   PRO  75          1HG       PRO  75   8.175  -6.475   5.031
  599   1HD   PRO  75          2HD       PRO  75   6.433  -7.286   3.141
  600   2HD   PRO  75          1HD       PRO  75   6.189  -5.790   4.063
  601    H    GLU  76           H        GLU  76   9.132  -6.439   0.891
  602    HA   GLU  76           HA       GLU  76  11.013  -4.822  -0.553
  603   1HB   GLU  76          2HB       GLU  76  10.090  -7.651  -1.102
  604   2HB   GLU  76          1HB       GLU  76  11.500  -6.869  -1.804
  605   1HG   GLU  76          2HG       GLU  76  11.073  -7.688   1.052
  606   2HG   GLU  76          1HG       GLU  76  12.282  -8.283  -0.085
  607    H    LEU  77           H        LEU  77   7.884  -6.299  -1.205
  608    HA   LEU  77           HA       LEU  77   7.673  -5.684  -3.928
  609   1HB   LEU  77          2HB       LEU  77   6.039  -7.141  -3.239
  610   2HB   LEU  77          1HB       LEU  77   5.783  -6.311  -1.720
  611    HG   LEU  77           HG       LEU  77   3.864  -6.292  -3.379
  612   1HD1  LEU  77          1HD1      LEU  77   4.724  -4.420  -1.521
  613   2HD1  LEU  77          2HD1      LEU  77   3.107  -4.567  -2.208
  614   3HD1  LEU  77          3HD1      LEU  77   4.278  -3.469  -2.935
  615   1HD2  LEU  77          1HD2      LEU  77   4.938  -3.952  -4.750
  616   2HD2  LEU  77          2HD2      LEU  77   4.027  -5.323  -5.384
  617   3HD2  LEU  77          3HD2      LEU  77   5.771  -5.452  -5.158
  618    H    VAL  78           H        VAL  78   6.756  -3.831  -1.051
  619    HA   VAL  78           HA       VAL  78   5.669  -1.609  -2.411
  620    HB   VAL  78           HB       VAL  78   6.710  -2.041   0.377
  621   1HG1  VAL  78          1HG1      VAL  78   7.114   0.124   0.687
  622   2HG1  VAL  78          2HG1      VAL  78   5.398   0.418   0.419
  623   3HG1  VAL  78          3HG1      VAL  78   6.530   0.532  -0.924
  624   1HG2  VAL  78          1HG2      VAL  78   4.566  -2.367   0.914
  625   2HG2  VAL  78          2HG2      VAL  78   4.292  -2.523  -0.822
  626   3HG2  VAL  78          3HG2      VAL  78   4.025  -0.974  -0.024
  627    H    ASN  79           H        ASN  79   8.924  -2.543  -1.531
  628    HA   ASN  79           HA       ASN  79  10.200  -0.059  -1.883
  629   1HB   ASN  79          2HB       ASN  79  11.259  -2.052  -0.826
  630   2HB   ASN  79          1HB       ASN  79  11.345  -2.812  -2.413
  631   1HD2  ASN  79          1HD2      ASN  79  12.016   0.474  -1.258
  632   2HD2  ASN  79          2HD2      ASN  79  13.631   0.540  -1.867
  633    H    TYR  80           H        TYR  80   9.265  -2.602  -4.118
  634    HA   TYR  80           HA       TYR  80  10.613  -1.572  -6.394
  635   1HB   TYR  80          2HB       TYR  80   9.737  -3.915  -6.162
  636   2HB   TYR  80          1HB       TYR  80   8.111  -3.272  -6.348
  637    HD1  TYR  80           HD1      TYR  80   7.206  -2.904  -8.483
  638    HD2  TYR  80           HD2      TYR  80  11.386  -3.579  -8.071
  639    HE1  TYR  80           HE1      TYR  80   7.413  -3.075 -10.927
  640    HE2  TYR  80           HE2      TYR  80  11.606  -3.751 -10.515
  641    HH   TYR  80           HH       TYR  80   9.265  -4.351 -12.533
  642    H    HIS  81           H        HIS  81   7.359  -1.198  -5.085
  643    HA   HIS  81           HA       HIS  81   6.260   0.338  -7.161
  644   1HB   HIS  81          2HB       HIS  81   5.644   0.100  -4.227
  645   2HB   HIS  81          1HB       HIS  81   4.765   1.226  -5.252
  646    HD1  HIS  81           HD1      HIS  81   4.323  -0.474  -7.720
  647    HD2  HIS  81           HD2      HIS  81   3.796  -1.860  -3.844
  648    HE1  HIS  81           HE1      HIS  81   2.799  -2.459  -7.927
  649    HE2  HIS  81           HE2      HIS  81   2.654  -3.388  -5.596
  650    H    ARG  82           H        ARG  82   8.360   1.135  -4.494
  651    HA   ARG  82           HA       ARG  82   7.967   3.897  -4.485
  652   1HB   ARG  82          2HB       ARG  82   9.052   2.965  -2.601
  653   2HB   ARG  82          1HB       ARG  82  10.254   2.170  -3.604
  654   1HG   ARG  82          2HG       ARG  82  10.742   4.764  -4.210
  655   2HG   ARG  82          1HG       ARG  82  10.182   4.909  -2.545
  656   1HD   ARG  82          2HD       ARG  82  11.970   3.798  -1.699
  657   2HD   ARG  82          1HD       ARG  82  12.133   2.761  -3.115
  658    HE   ARG  82           HE       ARG  82  13.394   5.315  -2.669
  659   1HH1  ARG  82          2HH1      ARG  82  12.420   2.961  -5.056
  660   2HH1  ARG  82          1HH1      ARG  82  13.579   3.486  -6.229
  661   1HH2  ARG  82          1HH2      ARG  82  14.919   6.006  -4.213
  662   2HH2  ARG  82          2HH2      ARG  82  14.997   5.215  -5.752
  663    H    ALA  83           H        ALA  83  10.387   1.966  -6.079
  664    HA   ALA  83           HA       ALA  83  11.585   4.151  -7.435
  665   1HB   ALA  83          1HB       ALA  83  12.835   2.532  -8.649
  666   2HB   ALA  83          2HB       ALA  83  11.649   1.269  -8.316
  667   3HB   ALA  83          3HB       ALA  83  12.654   1.902  -7.012
  668    H    GLN  84           H        GLN  84   9.643   1.468  -8.663
  669    HA   GLN  84           HA       GLN  84   8.784   3.118 -10.923
  670   1HB   GLN  84          2HB       GLN  84   9.027   0.195 -10.439
  671   2HB   GLN  84          1HB       GLN  84   7.766   0.730 -11.542
  672   1HG   GLN  84          2HG       GLN  84   9.258   0.882 -13.159
  673   2HG   GLN  84          1HG       GLN  84  10.119   2.117 -12.243
  674   1HE2  GLN  84          1HE2      GLN  84  11.705   1.354 -10.667
  675   2HE2  GLN  84          2HE2      GLN  84  12.598  -0.082 -11.016
  676    H    SER  85           H        SER  85   6.672   3.580 -11.381
  677    HA   SER  85           HA       SER  85   4.743   3.138  -9.209
  678   1HB   SER  85          2HB       SER  85   3.819   4.732 -11.481
  679   2HB   SER  85          1HB       SER  85   3.847   5.129  -9.764
  680    HG   SER  85           HG       SER  85   5.393   6.434 -10.344
  681    H    LEU  86           H        LEU  86   5.715   1.300 -11.564
  682    HA   LEU  86           HA       LEU  86   3.671   0.791 -13.343
  683   1HB   LEU  86          2HB       LEU  86   5.856  -0.260 -13.501
  684   2HB   LEU  86          1HB       LEU  86   5.554  -1.167 -12.031
  685    HG   LEU  86           HG       LEU  86   3.443  -1.952 -13.563
  686   1HD1  LEU  86          1HD1      LEU  86   4.006  -2.224 -15.792
  687   2HD1  LEU  86          2HD1      LEU  86   5.723  -1.954 -15.498
  688   3HD1  LEU  86          3HD1      LEU  86   4.595  -0.599 -15.437
  689   1HD2  LEU  86          1HD2      LEU  86   4.467  -3.722 -12.622
  690   2HD2  LEU  86          2HD2      LEU  86   6.080  -3.045 -12.851
  691   3HD2  LEU  86          3HD2      LEU  86   5.263  -3.848 -14.191
  692    H    SER  87           H        SER  87   1.651   0.146 -13.136
  693    HA   SER  87           HA       SER  87  -0.282  -0.657 -12.255
  694   1HB   SER  87          2HB       SER  87   1.616  -2.660 -11.014
  695   2HB   SER  87          1HB       SER  87  -0.138  -2.830 -11.062
  696    HG   SER  87           HG       SER  87   1.417  -2.466 -13.397
  697    H    HIS  88           H        HIS  88   1.490   1.273 -10.662
  698    HA   HIS  88           HA       HIS  88  -0.118   1.115  -8.236
  699   1HB   HIS  88          2HB       HIS  88   2.113   0.045  -7.779
  700   2HB   HIS  88          1HB       HIS  88   2.865   1.601  -8.118
  701    HD1  HIS  88           HD1      HIS  88   1.743  -0.355  -5.385
  702    HD2  HIS  88           HD2      HIS  88   1.623   3.689  -6.305
  703    HE1  HIS  88           HE1      HIS  88   1.359   0.824  -3.198
  704    HE2  HIS  88           HE2      HIS  88   1.139   3.252  -3.805
  705    H    GLY  89           H        GLY  89  -1.046   2.973  -7.860
  706   1HA   GLY  89          2HA       GLY  89  -1.222   5.149  -9.340
  707   2HA   GLY  89          1HA       GLY  89  -1.293   5.264  -7.597
  708    H    LEU  90           H        LEU  90   1.007   5.357  -6.565
  709    HA   LEU  90           HA       LEU  90   2.689   7.140  -8.190
  710   1HB   LEU  90          2HB       LEU  90   1.122   8.148  -6.343
  711   2HB   LEU  90          1HB       LEU  90   2.360   7.565  -5.250
  712    HG   LEU  90           HG       LEU  90   3.691   9.004  -7.288
  713   1HD1  LEU  90          1HD1      LEU  90   2.254  10.552  -7.970
  714   2HD1  LEU  90          2HD1      LEU  90   2.281  11.198  -6.330
  715   3HD1  LEU  90          3HD1      LEU  90   1.040  10.036  -6.800
  716   1HD2  LEU  90          1HD2      LEU  90   3.242   9.183  -4.372
  717   2HD2  LEU  90          2HD2      LEU  90   3.833  10.636  -5.178
  718   3HD2  LEU  90          3HD2      LEU  90   4.748   9.132  -5.288
  719    H    ARG  91           H        ARG  91   4.881   7.433  -7.265
  720    HA   ARG  91           HA       ARG  91   6.097   4.913  -6.829
  721   1HB   ARG  91          2HB       ARG  91   7.005   7.734  -7.031
  722   2HB   ARG  91          1HB       ARG  91   8.091   6.601  -6.241
  723   1HG   ARG  91          2HG       ARG  91   8.239   5.256  -8.191
  724   2HG   ARG  91          1HG       ARG  91   6.919   6.130  -8.968
  725   1HD   ARG  91          2HD       ARG  91   9.277   7.705  -8.106
  726   2HD   ARG  91          1HD       ARG  91   9.483   6.635  -9.491
  727    HE   ARG  91           HE       ARG  91   7.975   9.076  -9.396
  728   1HH1  ARG  91          2HH1      ARG  91   8.332   6.005 -11.012
  729   2HH1  ARG  91          1HH1      ARG  91   7.594   6.551 -12.481
  730   1HH2  ARG  91          1HH2      ARG  91   7.004   9.796 -11.326
  731   2HH2  ARG  91          2HH2      ARG  91   6.841   8.703 -12.659
  732    H    LEU  92           H        LEU  92   5.486   3.928  -4.967
  733    HA   LEU  92           HA       LEU  92   4.880   4.800  -2.494
  734   1HB   LEU  92          2HB       LEU  92   6.486   2.442  -3.384
  735   2HB   LEU  92          1HB       LEU  92   6.157   2.700  -1.685
  736    HG   LEU  92           HG       LEU  92   4.217   2.106  -3.897
  737   1HD1  LEU  92          1HD1      LEU  92   5.440   0.389  -2.329
  738   2HD1  LEU  92          2HD1      LEU  92   3.751   0.176  -2.778
  739   3HD1  LEU  92          3HD1      LEU  92   4.164   0.855  -1.205
  740   1HD2  LEU  92          1HD2      LEU  92   2.578   2.381  -1.782
  741   2HD2  LEU  92          2HD2      LEU  92   2.853   3.643  -2.982
  742   3HD2  LEU  92          3HD2      LEU  92   3.733   3.673  -1.458
  743    H    ALA  93           H        ALA  93   5.931   5.519  -0.609
  744    HA   ALA  93           HA       ALA  93   8.811   5.683  -0.562
  745   1HB   ALA  93          1HB       ALA  93   8.535   8.296  -0.213
  746   2HB   ALA  93          2HB       ALA  93   7.168   8.031  -1.295
  747   3HB   ALA  93          3HB       ALA  93   8.794   7.574  -1.801
  748    H    ALA  94           H        ALA  94   6.568   7.978   0.956
  749    HA   ALA  94           HA       ALA  94   7.693   7.330   3.533
  750   1HB   ALA  94          1HB       ALA  94   5.420   9.201   3.377
  751   2HB   ALA  94          2HB       ALA  94   6.865   9.646   2.471
  752   3HB   ALA  94          3HB       ALA  94   6.968   9.354   4.206
  753    HA   PRO  95           HA       PRO  95   4.283   4.970   5.076
  754   1HB   PRO  95          2HB       PRO  95   4.471   5.367   7.690
  755   2HB   PRO  95          1HB       PRO  95   5.829   4.671   6.798
  756   1HG   PRO  95          2HG       PRO  95   5.458   7.456   7.803
  757   2HG   PRO  95          1HG       PRO  95   6.925   6.464   7.763
  758   1HD   PRO  95          2HD       PRO  95   6.209   8.423   5.890
  759   2HD   PRO  95          1HD       PRO  95   7.453   7.177   5.671
  760    H    CYS  96           H        CYS  96   2.146   5.011   5.854
  761    HA   CYS  96           HA       CYS  96   0.676   7.341   5.399
  762   1HB   CYS  96          2HB       CYS  96  -1.235   6.136   6.203
  763   2HB   CYS  96          1HB       CYS  96  -0.217   4.998   5.330
  764    HG   CYS  96           HG       CYS  96  -1.192   4.241   7.815
  765    H    ARG  97           H        ARG  97  -0.860   8.301   7.087
  766    HA   ARG  97           HA       ARG  97   0.018   8.363   9.807
  767   1HB   ARG  97          2HB       ARG  97   0.814  10.551   7.927
  768   2HB   ARG  97          1HB       ARG  97   0.412  10.956   9.590
  769   1HG   ARG  97          2HG       ARG  97   2.111   8.900   9.991
  770   2HG   ARG  97          1HG       ARG  97   2.759   9.571   8.492
  771   1HD   ARG  97          2HD       ARG  97   2.587  11.843   9.706
  772   2HD   ARG  97          1HD       ARG  97   2.462  10.876  11.175
  773    HE   ARG  97           HE       ARG  97   4.696  10.149   9.531
  774   1HH1  ARG  97          2HH1      ARG  97   3.578  12.360  11.988
  775   2HH1  ARG  97          1HH1      ARG  97   5.168  12.687  12.594
  776   1HH2  ARG  97          1HH2      ARG  97   6.788  10.578  10.327
  777   2HH2  ARG  97          2HH2      ARG  97   6.990  11.676  11.651
  778    H    LYS  98           H        LYS  98  -1.486   9.289  11.163
  779    HA   LYS  98           HA       LYS  98  -3.995  10.094   9.871
  780   1HB   LYS  98          2HB       LYS  98  -3.312   8.656  12.369
  781   2HB   LYS  98          1HB       LYS  98  -4.692   9.743  12.457
  782   1HG   LYS  98          2HG       LYS  98  -4.407   7.610  10.357
  783   2HG   LYS  98          1HG       LYS  98  -5.220   7.355  11.903
  784   1HD   LYS  98          2HD       LYS  98  -6.014   9.672  10.197
  785   2HD   LYS  98          1HD       LYS  98  -6.587   8.056   9.780
  786   1HE   LYS  98          2HE       LYS  98  -7.117   8.085  12.421
  787   2HE   LYS  98          1HE       LYS  98  -7.296   9.800  12.052
  788   1HZ   LYS  98          1HZ       LYS  98  -8.675   8.723  10.053
  789   2HZ   LYS  98          2HZ       LYS  98  -9.374   9.156  11.531
  790   3HZ   LYS  98          3HZ       LYS  98  -8.940   7.547  11.241
  791    H    HIS  99           H        HIS  99  -5.337  11.630  11.335
  792    HA   HIS  99           HA       HIS  99  -3.969  14.096  11.451
  793   1HB   HIS  99          2HB       HIS  99  -6.634  13.333  12.665
  794   2HB   HIS  99          1HB       HIS  99  -6.050  14.978  12.428
  795    HD1  HIS  99           HD1      HIS  99  -5.193  15.126   9.625
  796    HD2  HIS  99           HD2      HIS  99  -8.470  12.838  10.759
  797    HE1  HIS  99           HE1      HIS  99  -6.576  14.857   7.542
  798    HE2  HIS  99           HE2      HIS  99  -8.510  13.396   8.234
  799    H    GLU 100           HN       GLU 100  -4.718  11.669  13.861
  800    HA   GLU 100           HA       GLU 100  -4.101  13.259  16.135
  801   1HB   GLU 100          2HB       GLU 100  -3.996  11.086  17.332
  802   2HB   GLU 100          1HB       GLU 100  -5.466  11.283  16.386
  803   1HG   GLU 100          2HG       GLU 100  -5.031   9.257  15.587
  804   2HG   GLU 100          1HG       GLU 100  -3.783  10.040  14.620
  Start of MODEL   20
    1   1H    SER   1          1H        SER   1   8.655   1.206   1.125
    2   2H    SER   1          2H        SER   1  10.181   0.882   0.409
    3   3H    SER   1          3H        SER   1  10.078   1.892   1.793
    4    HA   SER   1           HA       SER   1   9.209  -0.910   1.799
    5   1HB   SER   1          2HB       SER   1  11.602  -0.677   1.102
    6   2HB   SER   1          1HB       SER   1  11.912   0.192   2.604
    7    HG   SER   1           HG       SER   1  11.079  -2.498   2.294
    8    H    GLU   2           H        GLU   2   7.886   1.297   2.963
    9    HA   GLU   2           HA       GLU   2   7.845   0.460   5.687
   10   1HB   GLU   2          2HB       GLU   2   9.778   2.268   5.292
   11   2HB   GLU   2          1HB       GLU   2   8.423   3.368   5.505
   12   1HG   GLU   2          2HG       GLU   2   7.926   2.297   7.663
   13   2HG   GLU   2          1HG       GLU   2   9.335   1.260   7.451
   14    HA   PRO   3           HA       PRO   3   3.934   2.448   4.064
   15   1HB   PRO   3          2HB       PRO   3   2.645  -0.116   4.180
   16   2HB   PRO   3          1HB       PRO   3   3.004   0.845   2.754
   17   1HG   PRO   3          2HG       PRO   3   4.177  -1.576   3.337
   18   2HG   PRO   3          1HG       PRO   3   4.901  -0.347   2.292
   19   1HD   PRO   3          2HD       PRO   3   5.471  -0.975   5.159
   20   2HD   PRO   3          1HD       PRO   3   6.593  -0.523   3.858
   21    H    TRP   4           H        TRP   4   4.582   0.034   6.525
   22    HA   TRP   4           HA       TRP   4   3.933  -0.052   8.725
   23   1HB   TRP   4          2HB       TRP   4   3.019   2.541   8.035
   24   2HB   TRP   4          1HB       TRP   4   1.654   1.719   8.783
   25    HD1  TRP   4           HD1      TRP   4   3.510   0.017  10.879
   26    HE1  TRP   4           HE1      TRP   4   4.466   1.269  12.915
   27    HE3  TRP   4           HE3      TRP   4   3.160   4.806   9.124
   28    HZ2  TRP   4           HZ2      TRP   4   5.001   3.935  13.676
   29    HZ3  TRP   4           HZ3      TRP   4   3.915   6.650  10.568
   30    HH2  TRP   4           HH2      TRP   4   4.815   6.221  12.797
   31    H    PHE   5           H        PHE   5   3.206  -2.098   8.412
   32    HA   PHE   5           HA       PHE   5   0.862  -2.785   7.013
   33   1HB   PHE   5          2HB       PHE   5   1.152  -5.012   8.202
   34   2HB   PHE   5          1HB       PHE   5   2.520  -4.460   7.241
   35    HD1  PHE   5           HD1      PHE   5   1.236  -4.880  10.666
   36    HD2  PHE   5           HD2      PHE   5   4.617  -3.977   8.242
   37    HE1  PHE   5           HE1      PHE   5   2.702  -5.119  12.626
   38    HE2  PHE   5           HE2      PHE   5   6.087  -4.215  10.200
   39    HZ   PHE   5           HZ       PHE   5   5.131  -4.786  12.395
   40    H    PHE   6           H        PHE   6  -1.163  -2.536   7.549
   41    HA   PHE   6           HA       PHE   6  -1.935  -2.696  10.385
   42   1HB   PHE   6          2HB       PHE   6  -2.566  -0.573   8.380
   43   2HB   PHE   6          1HB       PHE   6  -3.817  -1.017   9.538
   44    HD1  PHE   6           HD1      PHE   6  -0.176  -0.199   9.495
   45    HD2  PHE   6           HD2      PHE   6  -3.913   0.172  11.495
   46    HE1  PHE   6           HE1      PHE   6   0.873   1.260  11.176
   47    HE2  PHE   6           HE2      PHE   6  -2.872   1.633  13.178
   48    HZ   PHE   6           HZ       PHE   6  -0.476   2.178  13.021
   49    H    GLY   7           H        GLY   7  -2.689  -4.789  10.211
   50   1HA   GLY   7          2HA       GLY   7  -4.437  -5.546   8.049
   51   2HA   GLY   7          1HA       GLY   7  -3.927  -6.563   9.386
   52    H    CYS   8           H        CYS   8  -5.147  -3.539  10.380
   53    HA   CYS   8           HA       CYS   8  -7.747  -4.780  10.861
   54   1HB   CYS   8          2HB       CYS   8  -5.909  -3.407  12.742
   55   2HB   CYS   8          1HB       CYS   8  -7.634  -3.134  12.962
   56    HG   CYS   8           HG       CYS   8  -6.423  -5.334  14.207
   57    H    ILE   9           H        ILE   9  -6.182  -2.224   9.400
   58    HA   ILE   9           HA       ILE   9  -8.154  -0.187   9.852
   59    HB   ILE   9           HB       ILE   9  -7.035   1.042   8.028
   60   1HG1  ILE   9          2HG1      ILE   9  -5.261  -1.395   7.846
   61   2HG1  ILE   9          1HG1      ILE   9  -6.449  -0.913   6.643
   62   1HG2  ILE   9          1HG2      ILE   9  -4.674   0.973   9.125
   63   2HG2  ILE   9          2HG2      ILE   9  -5.457  -0.095  10.290
   64   3HG2  ILE   9          3HG2      ILE   9  -6.061   1.545  10.051
   65   1HD1  ILE   9          1HD1      ILE   9  -3.799  -0.246   6.650
   66   2HD1  ILE   9          2HD1      ILE   9  -4.572   1.201   7.295
   67   3HD1  ILE   9          3HD1      ILE   9  -5.069   0.560   5.730
   68    H    SER  10           H        SER  10  -9.469   0.748   8.126
   69    HA   SER  10           HA       SER  10 -10.420  -1.311   6.242
   70   1HB   SER  10          2HB       SER  10 -11.990  -0.621   8.137
   71   2HB   SER  10          1HB       SER  10 -12.104   0.945   7.334
   72    HG   SER  10           HG       SER  10 -13.737  -0.714   6.783
   73    H    ARG  11           H        ARG  11 -11.482  -0.396   4.270
   74    HA   ARG  11           HA       ARG  11  -9.736   1.250   2.870
   75   1HB   ARG  11          2HB       ARG  11 -11.819  -0.323   2.169
   76   2HB   ARG  11          1HB       ARG  11 -12.547   1.263   1.966
   77   1HG   ARG  11          2HG       ARG  11 -11.164   1.834   0.234
   78   2HG   ARG  11          1HG       ARG  11  -9.872   0.755   0.766
   79   1HD   ARG  11          2HD       ARG  11 -10.674  -0.971  -0.418
   80   2HD   ARG  11          1HD       ARG  11 -12.339  -0.636   0.052
   81    HE   ARG  11           HE       ARG  11 -11.010   0.208  -2.353
   82   1HH1  ARG  11          2HH1      ARG  11 -13.620   0.885  -0.138
   83   2HH1  ARG  11          1HH1      ARG  11 -14.560   1.745  -1.311
   84   1HH2  ARG  11          1HH2      ARG  11 -12.245   1.339  -3.898
   85   2HH2  ARG  11          2HH2      ARG  11 -13.780   2.001  -3.446
   86    H    SER  12           H        SER  12 -12.258   2.048   5.015
   87    HA   SER  12           HA       SER  12 -12.667   4.730   4.069
   88   1HB   SER  12          2HB       SER  12 -13.435   3.858   6.830
   89   2HB   SER  12          1HB       SER  12 -14.293   4.919   5.713
   90    HG   SER  12           HG       SER  12 -15.091   2.655   6.064
   91    H    GLU  13           H        GLU  13 -10.856   3.186   6.691
   92    HA   GLU  13           HA       GLU  13  -9.957   5.686   7.782
   93   1HB   GLU  13          2HB       GLU  13  -8.611   3.057   8.301
   94   2HB   GLU  13          1HB       GLU  13  -8.769   4.446   9.367
   95   1HG   GLU  13          2HG       GLU  13 -11.374   3.770   8.984
   96   2HG   GLU  13          1HG       GLU  13 -10.586   2.192   8.920
   97    H    ALA  14           H        ALA  14  -8.492   3.136   5.791
   98    HA   ALA  14           HA       ALA  14  -5.913   4.186   5.674
   99   1HB   ALA  14          1HB       ALA  14  -7.493   2.377   3.909
  100   2HB   ALA  14          2HB       ALA  14  -6.054   2.038   4.870
  101   3HB   ALA  14          3HB       ALA  14  -5.917   2.962   3.373
  102    H    VAL  15           H        VAL  15  -8.758   4.866   3.697
  103    HA   VAL  15           HA       VAL  15  -7.468   6.469   1.770
  104    HB   VAL  15           HB       VAL  15 -10.294   6.107   2.655
  105   1HG1  VAL  15          1HG1      VAL  15 -10.574   8.369   2.373
  106   2HG1  VAL  15          2HG1      VAL  15 -10.814   7.809   0.717
  107   3HG1  VAL  15          3HG1      VAL  15  -9.263   8.496   1.199
  108   1HG2  VAL  15          1HG2      VAL  15  -9.720   6.156  -0.187
  109   2HG2  VAL  15          2HG2      VAL  15 -10.433   4.882   0.802
  110   3HG2  VAL  15          3HG2      VAL  15  -8.680   5.031   0.685
  111    H    ARG  16           H        ARG  16  -9.167   7.331   4.776
  112    HA   ARG  16           HA       ARG  16  -8.503  10.113   4.512
  113   1HB   ARG  16          2HB       ARG  16  -9.567  10.391   6.679
  114   2HB   ARG  16          1HB       ARG  16 -10.570   9.381   5.646
  115   1HG   ARG  16          2HG       ARG  16  -9.795   7.391   6.788
  116   2HG   ARG  16          1HG       ARG  16  -8.709   8.362   7.783
  117   1HD   ARG  16          2HD       ARG  16 -10.636   7.900   9.095
  118   2HD   ARG  16          1HD       ARG  16 -10.729   9.593   8.618
  119    HE   ARG  16           HE       ARG  16 -12.465   7.431   7.761
  120   1HH1  ARG  16          2HH1      ARG  16 -11.445  10.738   7.276
  121   2HH1  ARG  16          1HH1      ARG  16 -12.885  11.185   6.427
  122   1HH2  ARG  16          1HH2      ARG  16 -14.356   8.024   6.646
  123   2HH2  ARG  16          2HH2      ARG  16 -14.537   9.646   6.069
  124    H    ARG  17           H        ARG  17  -7.102   7.335   5.906
  125    HA   ARG  17           HA       ARG  17  -5.346   8.669   7.727
  126   1HB   ARG  17          2HB       ARG  17  -5.937   6.381   8.198
  127   2HB   ARG  17          1HB       ARG  17  -5.392   5.853   6.612
  128   1HG   ARG  17          2HG       ARG  17  -3.157   5.994   7.186
  129   2HG   ARG  17          1HG       ARG  17  -3.462   7.120   8.509
  130   1HD   ARG  17          2HD       ARG  17  -4.882   4.982   9.347
  131   2HD   ARG  17          1HD       ARG  17  -3.595   4.177   8.450
  132    HE   ARG  17           HE       ARG  17  -2.281   5.973  10.013
  133   1HH1  ARG  17          2HH1      ARG  17  -4.582   3.426  10.646
  134   2HH1  ARG  17          1HH1      ARG  17  -3.960   3.086  12.225
  135   1HH2  ARG  17          1HH2      ARG  17  -1.461   5.526  12.090
  136   2HH2  ARG  17          2HH2      ARG  17  -2.190   4.279  13.047
  137    H    LEU  18           H        LEU  18  -5.179   7.528   4.406
  138    HA   LEU  18           HA       LEU  18  -2.391   7.963   4.062
  139   1HB   LEU  18          2HB       LEU  18  -4.402   6.840   2.545
  140   2HB   LEU  18          1HB       LEU  18  -3.953   8.280   1.650
  141    HG   LEU  18           HG       LEU  18  -2.561   6.682   0.747
  142   1HD1  LEU  18          1HD1      LEU  18  -0.726   7.910   1.026
  143   2HD1  LEU  18          2HD1      LEU  18  -0.413   7.081   2.544
  144   3HD1  LEU  18          3HD1      LEU  18  -1.361   8.559   2.525
  145   1HD2  LEU  18          1HD2      LEU  18  -3.193   5.152   2.865
  146   2HD2  LEU  18          2HD2      LEU  18  -1.512   5.530   3.242
  147   3HD2  LEU  18          3HD2      LEU  18  -1.919   4.756   1.712
  148    H    GLN  19           H        GLN  19  -5.253   9.849   3.583
  149    HA   GLN  19           HA       GLN  19  -3.804  12.105   2.498
  150   1HB   GLN  19          2HB       GLN  19  -6.668  11.430   2.943
  151   2HB   GLN  19          1HB       GLN  19  -6.231  13.130   2.833
  152   1HG   GLN  19          2HG       GLN  19  -5.327  12.822   0.640
  153   2HG   GLN  19          1HG       GLN  19  -5.527  11.074   0.754
  154   1HE2  GLN  19          1HE2      GLN  19  -6.626  13.229  -1.062
  155   2HE2  GLN  19          2HE2      GLN  19  -8.329  12.938  -1.079
  156    H    ALA  20           H        ALA  20  -4.265  10.944   5.569
  157    HA   ALA  20           HA       ALA  20  -4.565  13.556   6.834
  158   1HB   ALA  20          1HB       ALA  20  -4.455  12.077   8.945
  159   2HB   ALA  20          2HB       ALA  20  -4.678  10.740   7.816
  160   3HB   ALA  20          3HB       ALA  20  -5.893  12.013   7.927
  161    H    GLU  21           H        GLU  21  -3.107  14.300   8.459
  162    HA   GLU  21           HA       GLU  21  -1.089  14.667   9.428
  163   1HB   GLU  21          2HB       GLU  21  -1.029  11.886   8.922
  164   2HB   GLU  21          1HB       GLU  21   0.558  12.547   8.559
  165   1HG   GLU  21          2HG       GLU  21  -0.945  12.847  11.151
  166   2HG   GLU  21          1HG       GLU  21   0.429  11.783  10.859
  167    H    GLY  22           H        GLY  22   1.483  14.246   8.616
  168   1HA   GLY  22          2HA       GLY  22   1.764  16.310   6.713
  169   2HA   GLY  22          1HA       GLY  22   3.050  15.245   7.271
  170    H    ASN  23           H        ASN  23   0.357  13.541   6.169
  171    HA   ASN  23           HA       ASN  23   1.536  12.027   4.240
  172   1HB   ASN  23          2HB       ASN  23  -0.593  11.622   3.235
  173   2HB   ASN  23          1HB       ASN  23  -0.848  11.838   4.960
  174   1HD2  ASN  23          1HD2      ASN  23  -1.473  14.082   5.617
  175   2HD2  ASN  23          2HD2      ASN  23  -2.566  14.932   4.588
  176    H    ALA  24           H        ALA  24   2.927  12.638   2.737
  177    HA   ALA  24           HA       ALA  24   2.062  14.734   0.875
  178   1HB   ALA  24          1HB       ALA  24   4.725  14.933   0.635
  179   2HB   ALA  24          2HB       ALA  24   4.612  14.442   2.324
  180   3HB   ALA  24          3HB       ALA  24   3.780  15.896   1.771
  181    H    THR  25           H        THR  25   1.170  12.860  -0.236
  182    HA   THR  25           HA       THR  25   1.144  11.264  -1.807
  183    HB   THR  25           HB       THR  25   2.383  11.764  -3.801
  184    HG1  THR  25           HG1      THR  25   4.284  12.556  -2.071
  185   1HG2  THR  25          1HG2      THR  25   0.721  13.388  -3.512
  186   2HG2  THR  25          2HG2      THR  25   2.184  14.282  -3.921
  187   3HG2  THR  25          3HG2      THR  25   1.630  14.215  -2.248
  188    H    GLY  26           H        GLY  26   2.048   9.355  -2.674
  189   1HA   GLY  26          2HA       GLY  26   3.467   7.527  -2.714
  190   2HA   GLY  26          1HA       GLY  26   4.674   8.485  -1.864
  191    H    ALA  27           H        ALA  27   2.662   9.176   0.245
  192    HA   ALA  27           HA       ALA  27   3.302   7.431   2.226
  193   1HB   ALA  27          1HB       ALA  27   1.059   8.169   3.250
  194   2HB   ALA  27          2HB       ALA  27   0.853   9.118   1.779
  195   3HB   ALA  27          3HB       ALA  27   2.225   9.426   2.841
  196    H    PHE  28           H        PHE  28   2.929   5.304   2.542
  197    HA   PHE  28           HA       PHE  28   0.537   4.090   1.323
  198   1HB   PHE  28          2HB       PHE  28   2.032   2.141   0.753
  199   2HB   PHE  28          1HB       PHE  28   2.292   3.609  -0.167
  200    HD1  PHE  28           HD1      PHE  28   3.938   0.992   1.271
  201    HD2  PHE  28           HD2      PHE  28   4.125   5.234   1.119
  202    HE1  PHE  28           HE1      PHE  28   6.328   0.905   1.837
  203    HE2  PHE  28           HE2      PHE  28   6.503   5.150   1.691
  204    HZ   PHE  28           HZ       PHE  28   7.616   2.991   2.046
  205    H    LEU  29           H        LEU  29   0.051   1.974   2.148
  206    HA   LEU  29           HA       LEU  29   1.091   1.154   4.706
  207   1HB   LEU  29          2HB       LEU  29  -1.263   1.185   5.689
  208   2HB   LEU  29          1HB       LEU  29  -0.379   2.692   5.632
  209    HG   LEU  29           HG       LEU  29  -1.984   3.694   4.422
  210   1HD1  LEU  29          1HD1      LEU  29  -1.532   3.038   2.295
  211   2HD1  LEU  29          2HD1      LEU  29  -3.143   2.356   2.488
  212   3HD1  LEU  29          3HD1      LEU  29  -1.733   1.334   2.646
  213   1HD2  LEU  29          1HD2      LEU  29  -3.646   1.220   4.578
  214   2HD2  LEU  29          2HD2      LEU  29  -4.133   2.907   4.743
  215   3HD2  LEU  29          3HD2      LEU  29  -3.222   2.121   6.032
  216    H    ILE  30           H        ILE  30   0.626  -1.027   5.151
  217    HA   ILE  30           HA       ILE  30  -0.915  -2.334   2.997
  218    HB   ILE  30           HB       ILE  30   0.914  -3.944   4.685
  219   1HG1  ILE  30          2HG1      ILE  30   2.165  -1.852   3.908
  220   2HG1  ILE  30          1HG1      ILE  30   2.875  -3.403   3.498
  221   1HG2  ILE  30          1HG2      ILE  30   0.891  -4.384   1.832
  222   2HG2  ILE  30          2HG2      ILE  30  -0.729  -4.401   2.518
  223   3HG2  ILE  30          3HG2      ILE  30   0.509  -5.487   3.146
  224   1HD1  ILE  30          1HD1      ILE  30   2.908  -2.828   1.369
  225   2HD1  ILE  30          2HD1      ILE  30   2.221  -1.267   1.792
  226   3HD1  ILE  30          3HD1      ILE  30   1.159  -2.611   1.374
  227    H    ARG  31           H        ARG  31  -2.828  -3.033   3.574
  228    HA   ARG  31           HA       ARG  31  -3.251  -3.865   6.364
  229   1HB   ARG  31          2HB       ARG  31  -5.571  -3.210   6.120
  230   2HB   ARG  31          1HB       ARG  31  -4.542  -1.863   5.656
  231   1HG   ARG  31          2HG       ARG  31  -4.846  -2.888   3.263
  232   2HG   ARG  31          1HG       ARG  31  -6.299  -3.572   3.989
  233   1HD   ARG  31          2HD       ARG  31  -6.107  -0.827   4.736
  234   2HD   ARG  31          1HD       ARG  31  -5.886  -0.947   2.995
  235    HE   ARG  31           HE       ARG  31  -8.259  -1.787   4.505
  236   1HH1  ARG  31          2HH1      ARG  31  -6.702  -1.168   1.434
  237   2HH1  ARG  31          1HH1      ARG  31  -8.181  -1.225   0.539
  238   1HH2  ARG  31          1HH2      ARG  31 -10.195  -1.866   3.319
  239   2HH2  ARG  31          2HH2      ARG  31 -10.159  -1.622   1.605
  240    H    VAL  32           H        VAL  32  -5.406  -5.318   6.390
  241    HA   VAL  32           HA       VAL  32  -4.689  -7.606   4.753
  242    HB   VAL  32           HB       VAL  32  -6.342  -8.849   6.100
  243   1HG1  VAL  32          1HG1      VAL  32  -4.067  -7.373   7.261
  244   2HG1  VAL  32          2HG1      VAL  32  -4.372  -9.108   7.175
  245   3HG1  VAL  32          3HG1      VAL  32  -5.168  -8.133   8.412
  246   1HG2  VAL  32          1HG2      VAL  32  -7.452  -7.782   7.988
  247   2HG2  VAL  32          2HG2      VAL  32  -7.924  -7.013   6.473
  248   3HG2  VAL  32          3HG2      VAL  32  -6.755  -6.226   7.535
  249    H    SER  33           H        SER  33  -5.946  -8.584   3.267
  250    HA   SER  33           HA       SER  33  -7.538  -7.067   1.609
  251   1HB   SER  33          2HB       SER  33  -8.412  -9.429   0.880
  252   2HB   SER  33          1HB       SER  33  -6.725  -8.990   0.613
  253    HG   SER  33           HG       SER  33  -6.117 -10.261   2.274
  254    H    GLU  34           H        GLU  34  -9.228  -5.961   2.513
  255    HA   GLU  34           HA       GLU  34 -11.096  -7.126   4.307
  256   1HB   GLU  34          2HB       GLU  34 -11.311  -4.660   2.570
  257   2HB   GLU  34          1HB       GLU  34 -12.470  -5.103   3.817
  258   1HG   GLU  34          2HG       GLU  34 -10.105  -5.161   5.183
  259   2HG   GLU  34          1HG       GLU  34  -9.853  -3.837   4.046
  260    H    LYS  35           H        LYS  35 -10.649  -7.301   0.971
  261    HA   LYS  35           HA       LYS  35 -13.319  -8.477   0.602
  262   1HB   LYS  35          2HB       LYS  35 -12.129  -7.719  -1.910
  263   2HB   LYS  35          1HB       LYS  35 -13.668  -7.231  -1.219
  264   1HG   LYS  35          2HG       LYS  35 -12.725  -5.350  -0.175
  265   2HG   LYS  35          1HG       LYS  35 -11.079  -5.938  -0.421
  266   1HD   LYS  35          2HD       LYS  35 -11.469  -4.204  -2.013
  267   2HD   LYS  35          1HD       LYS  35 -11.469  -5.737  -2.886
  268   1HE   LYS  35          2HE       LYS  35 -13.993  -5.713  -2.640
  269   2HE   LYS  35          1HE       LYS  35 -13.827  -4.041  -2.104
  270   1HZ   LYS  35          1HZ       LYS  35 -13.317  -3.334  -4.171
  271   2HZ   LYS  35          2HZ       LYS  35 -14.182  -4.711  -4.635
  272   3HZ   LYS  35          3HZ       LYS  35 -12.492  -4.750  -4.593
  273    HA   PRO  36           HA       PRO  36 -10.155 -11.017  -2.216
  274   1HB   PRO  36          2HB       PRO  36  -7.689 -10.256  -0.713
  275   2HB   PRO  36          1HB       PRO  36  -7.892 -10.616  -2.427
  276   1HG   PRO  36          2HG       PRO  36  -7.615  -8.110  -1.625
  277   2HG   PRO  36          1HG       PRO  36  -8.778  -8.523  -2.900
  278   1HD   PRO  36          2HD       PRO  36  -9.263  -7.887  -0.023
  279   2HD   PRO  36          1HD       PRO  36 -10.216  -7.442  -1.452
  280    H    SER  37           H        SER  37  -8.771 -12.982  -1.537
  281    HA   SER  37           HA       SER  37 -10.009 -14.101   0.798
  282   1HB   SER  37          2HB       SER  37  -8.461 -16.102   0.104
  283   2HB   SER  37          1HB       SER  37  -9.851 -15.675  -0.894
  284    HG   SER  37           HG       SER  37  -8.277 -15.734  -2.352
  285    H    ALA  38           H        ALA  38  -6.660 -14.902   0.139
  286    HA   ALA  38           HA       ALA  38  -5.973 -13.928   2.831
  287   1HB   ALA  38          1HB       ALA  38  -4.781 -15.809   3.237
  288   2HB   ALA  38          2HB       ALA  38  -4.273 -15.983   1.558
  289   3HB   ALA  38          3HB       ALA  38  -5.892 -16.485   2.045
  290    H    ASP  39           H        ASP  39  -5.753 -11.926   1.299
  291    HA   ASP  39           HA       ASP  39  -2.917 -11.762   0.514
  292   1HB   ASP  39          2HB       ASP  39  -5.204 -10.321  -0.846
  293   2HB   ASP  39          1HB       ASP  39  -3.516 -10.329  -1.340
  294    H    TYR  40           H        TYR  40  -2.728  -9.088  -0.009
  295    HA   TYR  40           HA       TYR  40  -3.752  -7.700   2.363
  296   1HB   TYR  40          2HB       TYR  40  -0.907  -8.263   1.775
  297   2HB   TYR  40          1HB       TYR  40  -1.248  -6.558   2.067
  298    HD1  TYR  40           HD1      TYR  40  -2.162  -9.870   3.545
  299    HD2  TYR  40           HD2      TYR  40  -1.056  -5.825   4.250
  300    HE1  TYR  40           HE1      TYR  40  -2.160 -10.301   5.967
  301    HE2  TYR  40           HE2      TYR  40  -1.046  -6.244   6.672
  302    HH   TYR  40           HH       TYR  40  -0.697  -8.527   8.147
  303    H    VAL  41           H        VAL  41  -4.273  -5.621   2.021
  304    HA   VAL  41           HA       VAL  41  -3.980  -4.759  -0.777
  305    HB   VAL  41           HB       VAL  41  -5.915  -3.158  -0.117
  306   1HG1  VAL  41          1HG1      VAL  41  -6.442  -4.686  -1.750
  307   2HG1  VAL  41          2HG1      VAL  41  -7.500  -5.247  -0.455
  308   3HG1  VAL  41          3HG1      VAL  41  -5.970  -6.069  -0.762
  309   1HG2  VAL  41          1HG2      VAL  41  -7.016  -5.180   1.644
  310   2HG2  VAL  41          2HG2      VAL  41  -6.918  -3.435   1.866
  311   3HG2  VAL  41          3HG2      VAL  41  -5.563  -4.458   2.330
  312    H    LEU  42           H        LEU  42  -2.855  -3.037  -1.248
  313    HA   LEU  42           HA       LEU  42  -1.869  -1.396   0.971
  314   1HB   LEU  42          2HB       LEU  42  -0.099  -2.482  -0.206
  315   2HB   LEU  42          1HB       LEU  42  -0.744  -1.982  -1.756
  316    HG   LEU  42           HG       LEU  42  -0.202   0.375  -1.207
  317   1HD1  LEU  42          1HD1      LEU  42  -0.113   0.809   0.968
  318   2HD1  LEU  42          2HD1      LEU  42   1.563   0.283   0.846
  319   3HD1  LEU  42          3HD1      LEU  42   0.323  -0.841   1.394
  320   1HD2  LEU  42          1HD2      LEU  42   2.313   0.019  -1.149
  321   2HD2  LEU  42          2HD2      LEU  42   1.442  -0.773  -2.462
  322   3HD2  LEU  42          3HD2      LEU  42   1.971  -1.706  -1.063
  323    H    SER  43           H        SER  43  -2.056   0.792   0.916
  324    HA   SER  43           HA       SER  43  -3.329   1.929  -1.442
  325   1HB   SER  43          2HB       SER  43  -5.190   2.397  -0.382
  326   2HB   SER  43          1HB       SER  43  -4.547   1.714   1.109
  327    HG   SER  43           HG       SER  43  -3.607   3.778   1.515
  328    H    VAL  44           H        VAL  44  -3.068   4.134  -1.763
  329    HA   VAL  44           HA       VAL  44  -0.931   5.414  -0.242
  330    HB   VAL  44           HB       VAL  44   0.092   3.955  -2.048
  331   1HG1  VAL  44          1HG1      VAL  44  -1.606   4.568  -3.764
  332   2HG1  VAL  44          2HG1      VAL  44   0.066   4.738  -4.304
  333   3HG1  VAL  44          3HG1      VAL  44  -0.866   6.161  -3.841
  334   1HG2  VAL  44          1HG2      VAL  44   1.469   6.115  -2.869
  335   2HG2  VAL  44          2HG2      VAL  44   1.674   5.368  -1.286
  336   3HG2  VAL  44          3HG2      VAL  44   0.647   6.790  -1.462
  337    H    ARG  45           H        ARG  45  -0.847   7.593  -0.443
  338    HA   ARG  45           HA       ARG  45  -3.211   8.880  -1.416
  339   1HB   ARG  45          2HB       ARG  45  -2.028   9.600   0.658
  340   2HB   ARG  45          1HB       ARG  45  -0.664  10.100  -0.332
  341   1HG   ARG  45          2HG       ARG  45  -2.642  11.470  -1.534
  342   2HG   ARG  45          1HG       ARG  45  -3.258  11.408   0.117
  343   1HD   ARG  45          2HD       ARG  45  -1.893  13.065   0.652
  344   2HD   ARG  45          1HD       ARG  45  -0.520  12.020   0.304
  345    HE   ARG  45           HE       ARG  45  -0.235  13.102  -1.714
  346   1HH1  ARG  45          2HH1      ARG  45  -3.246  14.100  -0.256
  347   2HH1  ARG  45          1HH1      ARG  45  -3.472  15.432  -1.339
  348   1HH2  ARG  45          1HH2      ARG  45  -0.533  14.857  -3.137
  349   2HH2  ARG  45          2HH2      ARG  45  -1.934  15.862  -2.971
  350    H    ASP  46           H        ASP  46  -0.272   7.921  -2.720
  351    HA   ASP  46           HA       ASP  46   0.916   8.541  -4.613
  352   1HB   ASP  46          2HB       ASP  46  -1.973   8.834  -5.443
  353   2HB   ASP  46          1HB       ASP  46  -0.655   9.034  -6.592
  354    H    THR  47           H        THR  47   0.277  10.504  -6.620
  355    HA   THR  47           HA       THR  47   1.294  12.812  -5.327
  356    HB   THR  47           HB       THR  47   1.882  12.422  -7.623
  357    HG1  THR  47           HG1      THR  47   1.840  14.477  -7.958
  358   1HG2  THR  47          1HG2      THR  47   0.342  11.344  -8.845
  359   2HG2  THR  47          2HG2      THR  47  -0.162  12.980  -9.274
  360   3HG2  THR  47          3HG2      THR  47  -1.013  12.099  -8.004
  361    H    GLN  48           H        GLN  48  -1.807  11.592  -5.405
  362    HA   GLN  48           HA       GLN  48  -2.967  13.705  -4.034
  363   1HB   GLN  48          2HB       GLN  48  -3.056  13.978  -6.960
  364   2HB   GLN  48          1HB       GLN  48  -4.621  14.130  -6.174
  365   1HG   GLN  48          2HG       GLN  48  -2.534  15.641  -4.831
  366   2HG   GLN  48          1HG       GLN  48  -2.769  16.129  -6.508
  367   1HE2  GLN  48          1HE2      GLN  48  -4.674  17.099  -7.116
  368   2HE2  GLN  48          2HE2      GLN  48  -5.851  17.655  -5.978
  369    H    ALA  49           H        ALA  49  -4.884  13.079  -3.151
  370    HA   ALA  49           HA       ALA  49  -6.610  11.714  -2.564
  371   1HB   ALA  49          1HB       ALA  49  -7.005  12.238  -5.175
  372   2HB   ALA  49          2HB       ALA  49  -8.092  11.246  -4.202
  373   3HB   ALA  49          3HB       ALA  49  -6.880  10.479  -5.229
  374    H    VAL  50           H        VAL  50  -7.132   9.498  -2.060
  375    HA   VAL  50           HA       VAL  50  -4.766   7.837  -1.993
  376    HB   VAL  50           HB       VAL  50  -7.515   7.318  -0.851
  377   1HG1  VAL  50          1HG1      VAL  50  -6.200   5.622   0.538
  378   2HG1  VAL  50          2HG1      VAL  50  -4.940   5.777  -0.686
  379   3HG1  VAL  50          3HG1      VAL  50  -6.542   5.199  -1.141
  380   1HG2  VAL  50          1HG2      VAL  50  -5.141   8.752   0.123
  381   2HG2  VAL  50          2HG2      VAL  50  -5.864   7.621   1.268
  382   3HG2  VAL  50          3HG2      VAL  50  -6.837   8.921   0.577
  383    H    ARG  51           H        ARG  51  -4.670   5.694  -2.663
  384    HA   ARG  51           HA       ARG  51  -6.682   4.707  -4.519
  385   1HB   ARG  51          2HB       ARG  51  -3.798   4.688  -5.363
  386   2HB   ARG  51          1HB       ARG  51  -5.227   4.419  -6.347
  387   1HG   ARG  51          2HG       ARG  51  -5.809   6.841  -5.937
  388   2HG   ARG  51          1HG       ARG  51  -4.192   7.018  -5.253
  389   1HD   ARG  51          2HD       ARG  51  -3.680   7.563  -7.387
  390   2HD   ARG  51          1HD       ARG  51  -3.552   5.813  -7.548
  391    HE   ARG  51           HE       ARG  51  -6.185   6.853  -8.081
  392   1HH1  ARG  51          2HH1      ARG  51  -3.061   6.108  -9.448
  393   2HH1  ARG  51          1HH1      ARG  51  -3.667   5.952 -11.063
  394   1HH2  ARG  51          1HH2      ARG  51  -6.982   6.648 -10.204
  395   2HH2  ARG  51          2HH2      ARG  51  -5.892   6.258 -11.492
  396    H    HIS  52           H        HIS  52  -7.103   2.713  -3.818
  397    HA   HIS  52           HA       HIS  52  -5.178   1.369  -2.138
  398   1HB   HIS  52          2HB       HIS  52  -7.998   0.688  -3.017
  399   2HB   HIS  52          1HB       HIS  52  -7.025  -0.401  -2.031
  400    HD1  HIS  52           HD1      HIS  52  -6.131   0.741   0.270
  401    HD2  HIS  52           HD2      HIS  52  -9.403   2.505  -1.570
  402    HE1  HIS  52           HE1      HIS  52  -7.120   2.259   1.988
  403    HE2  HIS  52           HE2      HIS  52  -9.235   3.139   0.932
  404    H    TYR  53           H        TYR  53  -4.836  -1.040  -2.480
  405    HA   TYR  53           HA       TYR  53  -4.841  -1.944  -5.231
  406   1HB   TYR  53          2HB       TYR  53  -2.181  -1.818  -3.832
  407   2HB   TYR  53          1HB       TYR  53  -2.512  -2.109  -5.535
  408    HD1  TYR  53           HD1      TYR  53  -1.693   0.352  -3.060
  409    HD2  TYR  53           HD2      TYR  53  -3.434  -0.168  -6.906
  410    HE1  TYR  53           HE1      TYR  53  -1.287   2.719  -3.562
  411    HE2  TYR  53           HE2      TYR  53  -3.031   2.199  -7.420
  412    HH   TYR  53           HH       TYR  53  -0.964   4.057  -5.989
  413    H    LYS  54           H        LYS  54  -4.954  -4.114  -5.349
  414    HA   LYS  54           HA       LYS  54  -4.985  -5.639  -2.889
  415   1HB   LYS  54          2HB       LYS  54  -6.619  -5.849  -4.911
  416   2HB   LYS  54          1HB       LYS  54  -5.339  -6.815  -5.630
  417   1HG   LYS  54          2HG       LYS  54  -5.855  -7.676  -2.937
  418   2HG   LYS  54          1HG       LYS  54  -7.340  -7.671  -3.889
  419   1HD   LYS  54          2HD       LYS  54  -4.783  -8.926  -4.860
  420   2HD   LYS  54          1HD       LYS  54  -5.990  -9.814  -3.928
  421   1HE   LYS  54          2HE       LYS  54  -7.188 -10.163  -5.763
  422   2HE   LYS  54          1HE       LYS  54  -7.306  -8.427  -6.044
  423   1HZ   LYS  54          1HZ       LYS  54  -5.887 -10.309  -7.529
  424   2HZ   LYS  54          2HZ       LYS  54  -4.743  -9.302  -6.796
  425   3HZ   LYS  54          3HZ       LYS  54  -5.957  -8.636  -7.767
  426    H    ILE  55           H        ILE  55  -3.146  -6.436  -2.113
  427    HA   ILE  55           HA       ILE  55  -0.928  -7.046  -3.931
  428    HB   ILE  55           HB       ILE  55  -0.721  -7.307  -0.974
  429   1HG1  ILE  55          2HG1      ILE  55  -0.237  -4.614  -2.184
  430   2HG1  ILE  55          1HG1      ILE  55  -1.866  -5.052  -1.682
  431   1HG2  ILE  55          1HG2      ILE  55   1.432  -7.488  -1.406
  432   2HG2  ILE  55          2HG2      ILE  55   1.438  -5.916  -2.201
  433   3HG2  ILE  55          3HG2      ILE  55   1.070  -7.372  -3.127
  434   1HD1  ILE  55          1HD1      ILE  55  -1.282  -4.290   0.314
  435   2HD1  ILE  55          2HD1      ILE  55   0.429  -4.290  -0.097
  436   3HD1  ILE  55          3HD1      ILE  55  -0.339  -5.768   0.479
  437    H    TRP  56           H        TRP  56  -1.319  -9.014  -4.784
  438    HA   TRP  56           HA       TRP  56  -2.441 -11.140  -3.191
  439   1HB   TRP  56          2HB       TRP  56  -3.021 -10.732  -5.599
  440   2HB   TRP  56          1HB       TRP  56  -1.403 -11.280  -6.023
  441    HD1  TRP  56           HD1      TRP  56  -0.845 -13.921  -5.296
  442    HE1  TRP  56           HE1      TRP  56  -2.419 -15.958  -5.331
  443    HE3  TRP  56           HE3      TRP  56  -5.335 -11.477  -5.347
  444    HZ2  TRP  56           HZ2      TRP  56  -5.197 -16.460  -5.375
  445    HZ3  TRP  56           HZ3      TRP  56  -7.403 -12.808  -5.387
  446    HH2  TRP  56           HH2      TRP  56  -7.334 -15.249  -5.401
  447    H    ARG  57           H        ARG  57  -1.481 -13.033  -2.591
  448    HA   ARG  57           HA       ARG  57   1.424 -12.938  -2.402
  449   1HB   ARG  57          2HB       ARG  57   0.150 -13.318  -0.344
  450   2HB   ARG  57          1HB       ARG  57  -0.575 -14.756  -1.048
  451   1HG   ARG  57          2HG       ARG  57   1.525 -15.889  -1.075
  452   2HG   ARG  57          1HG       ARG  57   2.382 -14.419  -0.609
  453   1HD   ARG  57          2HD       ARG  57   0.227 -15.239   1.215
  454   2HD   ARG  57          1HD       ARG  57   1.586 -16.355   1.118
  455    HE   ARG  57           HE       ARG  57   2.975 -14.732   2.043
  456   1HH1  ARG  57          2HH1      ARG  57  -0.255 -13.480   1.566
  457   2HH1  ARG  57          1HH1      ARG  57   0.005 -12.094   2.568
  458   1HH2  ARG  57          1HH2      ARG  57   3.309 -12.908   3.359
  459   2HH2  ARG  57          2HH2      ARG  57   2.024 -11.769   3.586
  460    H    ARG  58           H        ARG  58   2.755 -14.278  -3.444
  461    HA   ARG  58           HA       ARG  58   1.939 -15.741  -5.659
  462   1HB   ARG  58          2HB       ARG  58   4.437 -15.448  -4.118
  463   2HB   ARG  58          1HB       ARG  58   4.321 -16.876  -5.135
  464   1HG   ARG  58          2HG       ARG  58   3.586 -14.289  -6.367
  465   2HG   ARG  58          1HG       ARG  58   5.293 -14.561  -6.008
  466   1HD   ARG  58          2HD       ARG  58   5.340 -15.582  -8.002
  467   2HD   ARG  58          1HD       ARG  58   4.585 -16.930  -7.152
  468    HE   ARG  58           HE       ARG  58   2.625 -15.107  -8.078
  469   1HH1  ARG  58          2HH1      ARG  58   4.801 -17.598  -9.192
  470   2HH1  ARG  58          1HH1      ARG  58   3.813 -18.030 -10.547
  471   1HH2  ARG  58          1HH2      ARG  58   1.325 -15.673  -9.861
  472   2HH2  ARG  58          2HH2      ARG  58   1.840 -16.937 -10.928
  473    H    ALA  59           H        ALA  59   3.793 -17.521  -3.343
  474    HA   ALA  59           HA       ALA  59   1.749 -19.221  -2.394
  475   1HB   ALA  59          1HB       ALA  59   1.643 -20.000  -4.682
  476   2HB   ALA  59          2HB       ALA  59   2.322 -21.261  -3.653
  477   3HB   ALA  59          3HB       ALA  59   3.380 -20.302  -4.688
  478    H    GLY  60           H        GLY  60   3.410 -18.171  -0.792
  479   1HA   GLY  60          2HA       GLY  60   4.603 -19.883   0.802
  480   2HA   GLY  60          1HA       GLY  60   5.798 -19.838  -0.485
  481    H    GLY  61           H        GLY  61   5.395 -17.012  -1.065
  482   1HA   GLY  61          2HA       GLY  61   5.610 -15.269   1.034
  483   2HA   GLY  61          1HA       GLY  61   7.219 -15.960   0.882
  484    H    ARG  62           H        ARG  62   4.719 -14.141  -0.816
  485    HA   ARG  62           HA       ARG  62   6.618 -12.412  -2.022
  486   1HB   ARG  62          2HB       ARG  62   6.223 -14.796  -3.412
  487   2HB   ARG  62          1HB       ARG  62   5.209 -13.633  -4.252
  488   1HG   ARG  62          2HG       ARG  62   6.964 -12.504  -5.084
  489   2HG   ARG  62          1HG       ARG  62   7.926 -12.711  -3.622
  490   1HD   ARG  62          2HD       ARG  62   9.116 -14.210  -4.764
  491   2HD   ARG  62          1HD       ARG  62   7.716 -15.274  -4.635
  492    HE   ARG  62           HE       ARG  62   7.290 -14.934  -6.862
  493   1HH1  ARG  62          2HH1      ARG  62   9.589 -12.548  -5.766
  494   2HH1  ARG  62          1HH1      ARG  62   9.936 -11.968  -7.360
  495   1HH2  ARG  62          1HH2      ARG  62   7.745 -14.172  -8.959
  496   2HH2  ARG  62          2HH2      ARG  62   8.887 -12.888  -9.173
  497    H    LEU  63           H        LEU  63   5.606 -10.681  -3.192
  498    HA   LEU  63           HA       LEU  63   2.679 -10.618  -3.011
  499   1HB   LEU  63          2HB       LEU  63   4.621  -8.633  -1.880
  500   2HB   LEU  63          1HB       LEU  63   3.034  -8.109  -2.408
  501    HG   LEU  63           HG       LEU  63   2.968  -8.511  -0.041
  502   1HD1  LEU  63          1HD1      LEU  63   1.161  -9.441  -1.767
  503   2HD1  LEU  63          2HD1      LEU  63   0.997  -9.640  -0.022
  504   3HD1  LEU  63          3HD1      LEU  63   1.619 -10.965  -1.007
  505   1HD2  LEU  63          1HD2      LEU  63   3.436 -11.397  -0.164
  506   2HD2  LEU  63          2HD2      LEU  63   3.991 -10.205   1.012
  507   3HD2  LEU  63          3HD2      LEU  63   4.864 -10.420  -0.505
  508    H    HIS  64           H        HIS  64   1.664  -9.662  -4.681
  509    HA   HIS  64           HA       HIS  64   3.153  -7.999  -6.522
  510   1HB   HIS  64          2HB       HIS  64   2.721  -9.354  -8.470
  511   2HB   HIS  64          1HB       HIS  64   3.557 -10.339  -7.278
  512    HD1  HIS  64           HD1      HIS  64   0.377 -10.067  -9.158
  513    HD2  HIS  64           HD2      HIS  64   1.964 -12.366  -6.081
  514    HE1  HIS  64           HE1      HIS  64  -1.181 -12.024  -8.909
  515    HE2  HIS  64           HE2      HIS  64  -0.147 -13.451  -7.108
  516    H    LEU  65           H        LEU  65   1.830  -6.276  -6.393
  517    HA   LEU  65           HA       LEU  65  -0.931  -6.354  -6.019
  518   1HB   LEU  65          2HB       LEU  65   0.913  -4.281  -7.173
  519   2HB   LEU  65          1HB       LEU  65  -0.820  -4.014  -7.140
  520    HG   LEU  65           HG       LEU  65  -0.877  -4.021  -4.766
  521   1HD1  LEU  65          1HD1      LEU  65   1.941  -5.057  -4.938
  522   2HD1  LEU  65          2HD1      LEU  65   0.534  -5.844  -4.235
  523   3HD1  LEU  65          3HD1      LEU  65   1.228  -4.425  -3.455
  524   1HD2  LEU  65          1HD2      LEU  65   1.171  -2.390  -4.309
  525   2HD2  LEU  65          2HD2      LEU  65  -0.233  -1.890  -5.254
  526   3HD2  LEU  65          3HD2      LEU  65   1.243  -2.404  -6.071
  527    H    ASN  66           H        ASN  66   1.035  -6.756  -8.783
  528    HA   ASN  66           HA       ASN  66  -1.287  -7.363 -10.437
  529   1HB   ASN  66          2HB       ASN  66   0.020  -4.987 -10.775
  530   2HB   ASN  66          1HB       ASN  66   0.888  -6.026 -11.900
  531   1HD2  ASN  66          1HD2      ASN  66   0.149  -5.627 -13.855
  532   2HD2  ASN  66          2HD2      ASN  66  -1.514  -5.518 -14.309
  533    H    GLU  67           H        GLU  67  -0.378  -8.322 -12.634
  534    HA   GLU  67           HA       GLU  67   1.204 -10.592 -11.845
  535   1HB   GLU  67          2HB       GLU  67  -0.258  -9.789 -14.331
  536   2HB   GLU  67          1HB       GLU  67   0.897 -11.113 -14.387
  537   1HG   GLU  67          2HG       GLU  67  -0.533 -11.852 -12.242
  538   2HG   GLU  67          1HG       GLU  67  -1.766 -10.969 -13.141
  539    H    ALA  68           H        ALA  68   2.568  -7.964 -11.888
  540    HA   ALA  68           HA       ALA  68   4.877  -8.817 -13.412
  541   1HB   ALA  68          1HB       ALA  68   4.928  -7.208 -14.983
  542   2HB   ALA  68          2HB       ALA  68   4.215  -5.994 -13.921
  543   3HB   ALA  68          3HB       ALA  68   3.185  -7.185 -14.719
  544    H    VAL  69           H        VAL  69   3.763  -7.800 -10.558
  545    HA   VAL  69           HA       VAL  69   6.304  -6.442  -9.937
  546    HB   VAL  69           HB       VAL  69   5.176  -4.908  -8.411
  547   1HG1  VAL  69          1HG1      VAL  69   4.740  -3.400 -10.028
  548   2HG1  VAL  69          2HG1      VAL  69   3.581  -4.451 -10.842
  549   3HG1  VAL  69          3HG1      VAL  69   5.310  -4.679 -11.100
  550   1HG2  VAL  69          1HG2      VAL  69   2.937  -6.674  -8.891
  551   2HG2  VAL  69          2HG2      VAL  69   2.496  -4.987  -9.158
  552   3HG2  VAL  69          3HG2      VAL  69   3.178  -5.486  -7.611
  553    H    SER  70           H        SER  70   6.392  -8.976  -9.449
  554    HA   SER  70           HA       SER  70   5.269  -9.667  -6.876
  555   1HB   SER  70          2HB       SER  70   6.735 -11.789  -7.314
  556   2HB   SER  70          1HB       SER  70   5.280 -11.518  -8.272
  557    HG   SER  70           HG       SER  70   7.893 -10.746  -9.064
  558    H    PHE  71           H        PHE  71   6.322  -9.917  -4.963
  559    HA   PHE  71           HA       PHE  71   9.202  -9.670  -4.778
  560   1HB   PHE  71          2HB       PHE  71   7.666  -7.338  -4.570
  561   2HB   PHE  71          1HB       PHE  71   8.071  -7.773  -2.912
  562    HD1  PHE  71           HD1      PHE  71  10.749  -9.079  -3.529
  563    HD2  PHE  71           HD2      PHE  71   9.005  -5.404  -4.778
  564    HE1  PHE  71           HE1      PHE  71  12.994  -8.120  -3.822
  565    HE2  PHE  71           HE2      PHE  71  11.249  -4.439  -5.074
  566    HZ   PHE  71           HZ       PHE  71  13.247  -5.796  -4.598
  567    H    LEU  72           H        LEU  72   9.910 -10.942  -3.323
  568    HA   LEU  72           HA       LEU  72   8.876 -12.862  -1.918
  569   1HB   LEU  72          2HB       LEU  72  10.580 -12.349  -0.072
  570   2HB   LEU  72          1HB       LEU  72  11.163 -12.580  -1.713
  571    HG   LEU  72           HG       LEU  72  10.873  -9.940  -1.805
  572   1HD1  LEU  72          1HD1      LEU  72  10.404  -9.017   0.161
  573   2HD1  LEU  72          2HD1      LEU  72  11.952  -9.599   0.768
  574   3HD1  LEU  72          3HD1      LEU  72  10.501 -10.576   0.974
  575   1HD2  LEU  72          1HD2      LEU  72  13.139  -9.849  -1.795
  576   2HD2  LEU  72          2HD2      LEU  72  12.957 -11.602  -1.852
  577   3HD2  LEU  72          3HD2      LEU  72  13.288 -10.799  -0.318
  578    H    SER  73           H        SER  73   8.683  -9.521  -0.685
  579    HA   SER  73           HA       SER  73   6.521 -10.376   1.074
  580   1HB   SER  73          2HB       SER  73   8.732 -10.452   2.330
  581   2HB   SER  73          1HB       SER  73   8.773  -8.696   2.166
  582    HG   SER  73           HG       SER  73   6.613 -10.125   3.320
  583    H    LEU  74           H        LEU  74   5.901  -8.214   2.428
  584    HA   LEU  74           HA       LEU  74   4.805  -6.489   0.455
  585   1HB   LEU  74          2HB       LEU  74   4.245  -7.108   3.105
  586   2HB   LEU  74          1HB       LEU  74   4.696  -5.414   3.141
  587    HG   LEU  74           HG       LEU  74   2.495  -5.136   2.750
  588   1HD1  LEU  74          1HD1      LEU  74   3.890  -4.545   0.614
  589   2HD1  LEU  74          2HD1      LEU  74   2.133  -4.449   0.589
  590   3HD1  LEU  74          3HD1      LEU  74   2.946  -5.847  -0.106
  591   1HD2  LEU  74          1HD2      LEU  74   1.493  -7.158   2.897
  592   2HD2  LEU  74          2HD2      LEU  74   2.627  -7.921   1.784
  593   3HD2  LEU  74          3HD2      LEU  74   1.314  -6.924   1.159
  594    HA   PRO  75           HA       PRO  75   7.634  -3.057   2.653
  595   1HB   PRO  75          2HB       PRO  75   9.977  -4.402   3.522
  596   2HB   PRO  75          1HB       PRO  75   8.768  -3.611   4.535
  597   1HG   PRO  75          2HG       PRO  75   9.081  -6.483   3.851
  598   2HG   PRO  75          1HG       PRO  75   8.433  -5.739   5.324
  599   1HD   PRO  75          2HD       PRO  75   6.827  -6.898   3.520
  600   2HD   PRO  75          1HD       PRO  75   6.328  -5.433   4.391
  601    H    GLU  76           H        GLU  76   9.013  -5.998   1.213
  602    HA   GLU  76           HA       GLU  76  10.909  -4.508  -0.363
  603   1HB   GLU  76          2HB       GLU  76   9.974  -7.378  -0.550
  604   2HB   GLU  76          1HB       GLU  76  11.261  -6.691  -1.529
  605   1HG   GLU  76          2HG       GLU  76  11.235  -7.257   1.408
  606   2HG   GLU  76          1HG       GLU  76  12.368  -7.811   0.179
  607    H    LEU  77           H        LEU  77   7.763  -5.997  -0.769
  608    HA   LEU  77           HA       LEU  77   7.386  -5.723  -3.496
  609   1HB   LEU  77          2HB       LEU  77   5.739  -6.914  -2.340
  610   2HB   LEU  77          1HB       LEU  77   5.516  -5.648  -1.156
  611    HG   LEU  77           HG       LEU  77   3.665  -6.072  -2.900
  612   1HD1  LEU  77          1HD1      LEU  77   2.904  -3.903  -2.635
  613   2HD1  LEU  77          2HD1      LEU  77   4.521  -3.213  -2.743
  614   3HD1  LEU  77          3HD1      LEU  77   4.033  -4.084  -1.294
  615   1HD2  LEU  77          1HD2      LEU  77   5.155  -4.153  -4.611
  616   2HD2  LEU  77          2HD2      LEU  77   3.895  -5.309  -5.039
  617   3HD2  LEU  77          3HD2      LEU  77   5.542  -5.867  -4.740
  618    H    VAL  78           H        VAL  78   6.515  -3.341  -0.953
  619    HA   VAL  78           HA       VAL  78   5.763  -1.332  -2.782
  620    HB   VAL  78           HB       VAL  78   6.254   0.289  -0.891
  621   1HG1  VAL  78          1HG1      VAL  78   4.144  -1.489  -1.293
  622   2HG1  VAL  78          2HG1      VAL  78   4.123   0.012  -0.373
  623   3HG1  VAL  78          3HG1      VAL  78   4.459  -1.512   0.442
  624   1HG2  VAL  78          1HG2      VAL  78   7.646  -0.434   0.673
  625   2HG2  VAL  78          2HG2      VAL  78   7.415  -2.121   0.224
  626   3HG2  VAL  78          3HG2      VAL  78   6.272  -1.336   1.310
  627    H    ASN  79           H        ASN  79   8.851  -2.435  -1.646
  628    HA   ASN  79           HA       ASN  79  10.448  -0.210  -2.165
  629   1HB   ASN  79          2HB       ASN  79  11.036  -2.594  -1.201
  630   2HB   ASN  79          1HB       ASN  79  11.426  -2.951  -2.881
  631   1HD2  ASN  79          1HD2      ASN  79  11.887  -0.118  -0.793
  632   2HD2  ASN  79          2HD2      ASN  79  13.586   0.022  -1.071
  633    H    TYR  80           H        TYR  80   9.363  -2.809  -4.319
  634    HA   TYR  80           HA       TYR  80  10.651  -1.803  -6.645
  635   1HB   TYR  80          2HB       TYR  80   9.837  -4.157  -6.398
  636   2HB   TYR  80          1HB       TYR  80   8.185  -3.557  -6.482
  637    HD1  TYR  80           HD1      TYR  80  11.359  -3.755  -8.404
  638    HD2  TYR  80           HD2      TYR  80   7.140  -3.229  -8.556
  639    HE1  TYR  80           HE1      TYR  80  11.434  -3.917 -10.856
  640    HE2  TYR  80           HE2      TYR  80   7.203  -3.390 -11.009
  641    HH   TYR  80           HH       TYR  80   9.631  -4.638 -12.709
  642    H    HIS  81           H        HIS  81   7.528  -1.352  -5.126
  643    HA   HIS  81           HA       HIS  81   6.266   0.117  -7.180
  644   1HB   HIS  81          2HB       HIS  81   5.870   0.126  -4.180
  645   2HB   HIS  81          1HB       HIS  81   4.811   0.976  -5.295
  646    HD1  HIS  81           HD1      HIS  81   5.150  -1.682  -7.287
  647    HD2  HIS  81           HD2      HIS  81   3.581  -1.381  -3.458
  648    HE1  HIS  81           HE1      HIS  81   3.639  -3.669  -7.029
  649    HE2  HIS  81           HE2      HIS  81   2.885  -3.567  -4.630
  650    H    ARG  82           H        ARG  82   8.372   0.980  -4.503
  651    HA   ARG  82           HA       ARG  82   8.103   3.763  -4.740
  652   1HB   ARG  82          2HB       ARG  82   8.940   2.754  -2.695
  653   2HB   ARG  82          1HB       ARG  82  10.332   2.122  -3.560
  654   1HG   ARG  82          2HG       ARG  82   9.976   5.033  -3.731
  655   2HG   ARG  82          1HG       ARG  82  10.340   4.406  -2.123
  656   1HD   ARG  82          2HD       ARG  82  12.184   3.057  -3.409
  657   2HD   ARG  82          1HD       ARG  82  11.984   4.332  -4.610
  658    HE   ARG  82           HE       ARG  82  12.299   5.717  -2.319
  659   1HH1  ARG  82          2HH1      ARG  82  14.134   3.135  -3.786
  660   2HH1  ARG  82          1HH1      ARG  82  15.642   3.657  -3.113
  661   1HH2  ARG  82          1HH2      ARG  82  14.281   6.405  -1.436
  662   2HH2  ARG  82          2HH2      ARG  82  15.726   5.514  -1.780
  663    H    ALA  83           H        ALA  83  10.237   1.484  -6.198
  664    HA   ALA  83           HA       ALA  83  11.875   3.476  -7.447
  665   1HB   ALA  83          1HB       ALA  83  12.495   1.434  -8.934
  666   2HB   ALA  83          2HB       ALA  83  11.574   0.506  -7.750
  667   3HB   ALA  83          3HB       ALA  83  12.984   1.436  -7.240
  668    H    GLN  84           H        GLN  84   9.742   1.035  -8.815
  669    HA   GLN  84           HA       GLN  84   9.016   2.865 -10.981
  670   1HB   GLN  84          2HB       GLN  84   9.322  -0.044 -10.758
  671   2HB   GLN  84          1HB       GLN  84   7.873   0.449 -11.623
  672   1HG   GLN  84          2HG       GLN  84   9.803   2.064 -12.710
  673   2HG   GLN  84          1HG       GLN  84  10.664   0.551 -12.434
  674   1HE2  GLN  84          1HE2      GLN  84   7.476   1.601 -13.598
  675   2HE2  GLN  84          2HE2      GLN  84   7.435   0.537 -14.960
  676    H    SER  85           H        SER  85   6.977   3.640 -11.229
  677    HA   SER  85           HA       SER  85   5.028   2.908  -9.160
  678   1HB   SER  85          2HB       SER  85   4.092   4.964 -10.955
  679   2HB   SER  85          1HB       SER  85   4.390   5.049  -9.220
  680    HG   SER  85           HG       SER  85   5.982   5.846 -11.334
  681    H    LEU  86           H        LEU  86   5.815   1.441 -11.765
  682    HA   LEU  86           HA       LEU  86   4.018   1.399 -13.755
  683   1HB   LEU  86          2HB       LEU  86   5.804  -0.144 -13.789
  684   2HB   LEU  86          1HB       LEU  86   5.287  -0.901 -12.297
  685    HG   LEU  86           HG       LEU  86   3.198  -1.163 -14.248
  686   1HD1  LEU  86          1HD1      LEU  86   5.965  -1.685 -15.201
  687   2HD1  LEU  86          2HD1      LEU  86   4.548  -1.125 -16.089
  688   3HD1  LEU  86          3HD1      LEU  86   4.693  -2.824 -15.641
  689   1HD2  LEU  86          1HD2      LEU  86   3.993  -2.553 -12.152
  690   2HD2  LEU  86          2HD2      LEU  86   4.900  -3.440 -13.379
  691   3HD2  LEU  86          3HD2      LEU  86   3.144  -3.317 -13.495
  692    H    SER  87           H        SER  87   3.539  -0.911 -11.093
  693    HA   SER  87           HA       SER  87   0.664  -0.812 -11.616
  694   1HB   SER  87          2HB       SER  87   1.556  -3.039 -11.593
  695   2HB   SER  87          1HB       SER  87   2.375  -2.757 -10.058
  696    HG   SER  87           HG       SER  87  -0.433  -2.575 -10.328
  697    H    HIS  88           H        HIS  88   1.778   1.432 -10.332
  698    HA   HIS  88           HA       HIS  88   0.158   1.444  -7.948
  699   1HB   HIS  88          2HB       HIS  88   2.549   0.569  -7.392
  700   2HB   HIS  88          1HB       HIS  88   3.026   2.254  -7.577
  701    HD1  HIS  88           HD1      HIS  88   1.284  -0.085  -5.293
  702    HD2  HIS  88           HD2      HIS  88   1.998   3.995  -5.587
  703    HE1  HIS  88           HE1      HIS  88   0.691   0.870  -3.044
  704    HE2  HIS  88           HE2      HIS  88   1.185   3.328  -3.238
  705    H    GLY  89           H        GLY  89  -0.873   3.326  -7.891
  706   1HA   GLY  89          2HA       GLY  89  -0.851   5.330  -9.674
  707   2HA   GLY  89          1HA       GLY  89  -1.221   5.618  -7.983
  708    H    LEU  90           H        LEU  90   1.456   4.993  -7.081
  709    HA   LEU  90           HA       LEU  90   3.201   6.926  -8.342
  710   1HB   LEU  90          2HB       LEU  90   1.571   7.981  -6.516
  711   2HB   LEU  90          1HB       LEU  90   2.774   7.332  -5.420
  712    HG   LEU  90           HG       LEU  90   4.302   8.683  -7.285
  713   1HD1  LEU  90          1HD1      LEU  90   2.488  10.835  -6.619
  714   2HD1  LEU  90          2HD1      LEU  90   1.732   9.637  -7.669
  715   3HD1  LEU  90          3HD1      LEU  90   3.233  10.420  -8.162
  716   1HD2  LEU  90          1HD2      LEU  90   4.980   8.930  -5.120
  717   2HD2  LEU  90          2HD2      LEU  90   3.344   9.207  -4.523
  718   3HD2  LEU  90          3HD2      LEU  90   4.202  10.494  -5.368
  719    H    ARG  91           H        ARG  91   5.131   7.142  -6.441
  720    HA   ARG  91           HA       ARG  91   5.977   4.359  -6.139
  721   1HB   ARG  91          2HB       ARG  91   7.459   6.950  -6.422
  722   2HB   ARG  91          1HB       ARG  91   8.256   5.534  -5.759
  723   1HG   ARG  91          2HG       ARG  91   8.173   4.388  -7.758
  724   2HG   ARG  91          1HG       ARG  91   6.814   5.338  -8.361
  725   1HD   ARG  91          2HD       ARG  91   9.586   6.439  -7.928
  726   2HD   ARG  91          1HD       ARG  91   9.002   5.820  -9.470
  727    HE   ARG  91           HE       ARG  91   7.583   7.666  -9.664
  728   1HH1  ARG  91          2HH1      ARG  91   9.394   7.769  -6.675
  729   2HH1  ARG  91          1HH1      ARG  91   9.061   9.442  -6.391
  730   1HH2  ARG  91          1HH2      ARG  91   7.149   9.864  -9.284
  731   2HH2  ARG  91          2HH2      ARG  91   7.789  10.631  -7.868
  732    H    LEU  92           H        LEU  92   5.685   3.506  -4.199
  733    HA   LEU  92           HA       LEU  92   4.966   4.718  -1.861
  734   1HB   LEU  92          2HB       LEU  92   6.398   2.190  -2.450
  735   2HB   LEU  92          1HB       LEU  92   6.224   2.700  -0.782
  736    HG   LEU  92           HG       LEU  92   4.194   1.793  -0.733
  737   1HD1  LEU  92          1HD1      LEU  92   3.377   3.470  -3.082
  738   2HD1  LEU  92          2HD1      LEU  92   3.421   4.047  -1.418
  739   3HD1  LEU  92          3HD1      LEU  92   2.330   2.739  -1.868
  740   1HD2  LEU  92          1HD2      LEU  92   5.230   0.491  -2.718
  741   2HD2  LEU  92          2HD2      LEU  92   3.995   1.340  -3.643
  742   3HD2  LEU  92          3HD2      LEU  92   3.535   0.298  -2.306
  743    H    ALA  93           H        ALA  93   5.909   6.498  -1.101
  744    HA   ALA  93           HA       ALA  93   8.819   6.647  -0.937
  745   1HB   ALA  93          1HB       ALA  93   6.644   8.566  -1.118
  746   2HB   ALA  93          2HB       ALA  93   8.335   8.719  -1.591
  747   3HB   ALA  93          3HB       ALA  93   7.858   9.013   0.081
  748    H    ALA  94           H        ALA  94   6.442   7.963   1.354
  749    HA   ALA  94           HA       ALA  94   8.027   6.758   3.528
  750   1HB   ALA  94          1HB       ALA  94   6.551   8.744   4.711
  751   2HB   ALA  94          2HB       ALA  94   6.913   9.421   3.123
  752   3HB   ALA  94          3HB       ALA  94   8.225   8.887   4.172
  753    HA   PRO  95           HA       PRO  95   4.562   4.568   5.165
  754   1HB   PRO  95          2HB       PRO  95   4.666   5.051   7.831
  755   2HB   PRO  95          1HB       PRO  95   5.845   4.031   7.004
  756   1HG   PRO  95          2HG       PRO  95   6.074   6.894   7.840
  757   2HG   PRO  95          1HG       PRO  95   7.272   5.591   7.968
  758   1HD   PRO  95          2HD       PRO  95   7.347   7.461   6.007
  759   2HD   PRO  95          1HD       PRO  95   7.916   5.797   5.767
  760    H    CYS  96           H        CYS  96   2.426   4.722   5.933
  761    HA   CYS  96           HA       CYS  96   1.121   7.177   5.493
  762   1HB   CYS  96          2HB       CYS  96  -0.893   6.064   6.127
  763   2HB   CYS  96          1HB       CYS  96   0.102   4.867   5.304
  764    HG   CYS  96           HG       CYS  96  -0.952   4.611   8.085
  765    H    ARG  97           H        ARG  97   0.766   8.867   6.791
  766    HA   ARG  97           HA       ARG  97   1.409   8.554   9.647
  767   1HB   ARG  97          2HB       ARG  97   1.676  10.868   7.750
  768   2HB   ARG  97          1HB       ARG  97   1.604  11.136   9.486
  769   1HG   ARG  97          2HG       ARG  97   3.593   9.896   9.847
  770   2HG   ARG  97          1HG       ARG  97   3.594   9.296   8.189
  771   1HD   ARG  97          2HD       ARG  97   3.546  12.195   8.304
  772   2HD   ARG  97          1HD       ARG  97   4.939  11.522   9.149
  773    HE   ARG  97           HE       ARG  97   4.502  10.392   6.540
  774   1HH1  ARG  97          2HH1      ARG  97   6.007  12.988   8.324
  775   2HH1  ARG  97          1HH1      ARG  97   7.200  13.298   7.108
  776   1HH2  ARG  97          1HH2      ARG  97   6.072  10.798   4.941
  777   2HH2  ARG  97          2HH2      ARG  97   7.238  12.055   5.188
  778    H    LYS  98           H        LYS  98   0.099   9.610  11.206
  779    HA   LYS  98           HA       LYS  98  -2.306  10.960  10.501
  780   1HB   LYS  98          2HB       LYS  98  -2.414   8.115  10.535
  781   2HB   LYS  98          1HB       LYS  98  -3.308   8.701  11.930
  782   1HG   LYS  98          2HG       LYS  98  -4.320  10.339  10.097
  783   2HG   LYS  98          1HG       LYS  98  -3.884   8.993   9.043
  784   1HD   LYS  98          2HD       LYS  98  -5.748   7.954   9.668
  785   2HD   LYS  98          1HD       LYS  98  -5.111   7.862  11.310
  786   1HE   LYS  98          2HE       LYS  98  -7.005   9.012  11.776
  787   2HE   LYS  98          1HE       LYS  98  -5.993  10.386  11.336
  788   1HZ   LYS  98          1HZ       LYS  98  -7.109  10.709   9.414
  789   2HZ   LYS  98          2HZ       LYS  98  -8.364   9.958  10.264
  790   3HZ   LYS  98          3HZ       LYS  98  -7.430   9.066   9.172
  791    H    HIS  99           H        HIS  99  -0.717   8.983  12.987
  792    HA   HIS  99           HA       HIS  99  -1.327  11.105  14.929
  793   1HB   HIS  99          2HB       HIS  99  -1.693   9.403  16.664
  794   2HB   HIS  99          1HB       HIS  99  -2.850   9.233  15.347
  795    HD1  HIS  99           HD1      HIS  99  -2.825   6.766  16.724
  796    HD2  HIS  99           HD2      HIS  99   0.269   7.638  14.092
  797    HE1  HIS  99           HE1      HIS  99  -1.799   4.548  16.135
  798    HE2  HIS  99           HE2      HIS  99   0.016   5.093  14.475
  799    H    GLU 100           HN       GLU 100   1.036  10.932  13.481
  800    HA   GLU 100           HA       GLU 100   3.293  11.005  13.751
  801   1HB   GLU 100          2HB       GLU 100   2.714  10.744  16.705
  802   2HB   GLU 100          1HB       GLU 100   4.180  11.377  15.970
  803   1HG   GLU 100          2HG       GLU 100   2.881  13.240  15.031
  804   2HG   GLU 100          1HG       GLU 100   1.441  12.617  15.836
  Start of MODEL   21
    1   1H    SER   1          1H        SER   1  10.660   6.714   6.440
    2   2H    SER   1          2H        SER   1   9.469   5.508   6.712
    3   3H    SER   1          3H        SER   1   9.143   6.816   5.650
    4    HA   SER   1           HA       SER   1  10.588   6.055   4.057
    5   1HB   SER   1          2HB       SER   1  11.719   4.575   6.381
    6   2HB   SER   1          1HB       SER   1  11.877   3.823   4.794
    7    HG   SER   1           HG       SER   1  13.653   5.144   5.167
    8    H    GLU   2           H        GLU   2   9.572   3.424   6.245
    9    HA   GLU   2           HA       GLU   2   8.465   1.893   4.096
   10   1HB   GLU   2          2HB       GLU   2   8.307   1.582   7.097
   11   2HB   GLU   2          1HB       GLU   2   7.626   0.426   5.960
   12   1HG   GLU   2          2HG       GLU   2  10.531   1.179   6.194
   13   2HG   GLU   2          1HG       GLU   2   9.790  -0.310   6.778
   14    HA   PRO   3           HA       PRO   3   4.318   3.432   4.116
   15   1HB   PRO   3          2HB       PRO   3   2.918   1.300   3.305
   16   2HB   PRO   3          1HB       PRO   3   4.095   2.087   2.245
   17   1HG   PRO   3          2HG       PRO   3   4.398  -0.400   3.889
   18   2HG   PRO   3          1HG       PRO   3   4.891  -0.103   2.211
   19   1HD   PRO   3          2HD       PRO   3   6.606   0.037   4.334
   20   2HD   PRO   3          1HD       PRO   3   6.821   0.968   2.840
   21    H    TRP   4           H        TRP   4   5.253   0.972   6.306
   22    HA   TRP   4           HA       TRP   4   4.452   0.326   8.334
   23   1HB   TRP   4          2HB       TRP   4   3.261   2.936   7.901
   24   2HB   TRP   4          1HB       TRP   4   2.187   1.897   8.833
   25    HD1  TRP   4           HD1      TRP   4   4.230   4.494   9.717
   26    HE1  TRP   4           HE1      TRP   4   5.555   4.143  11.894
   27    HE3  TRP   4           HE3      TRP   4   3.873  -0.593  10.074
   28    HZ2  TRP   4           HZ2      TRP   4   6.346   1.994  13.545
   29    HZ3  TRP   4           HZ3      TRP   4   4.942  -1.719  11.983
   30    HH2  TRP   4           HH2      TRP   4   6.153  -0.451  13.682
   31    H    PHE   5           H        PHE   5   3.517  -1.594   8.395
   32    HA   PHE   5           HA       PHE   5   1.201  -2.183   6.754
   33   1HB   PHE   5          2HB       PHE   5   2.318  -4.157   8.703
   34   2HB   PHE   5          1HB       PHE   5   1.682  -4.420   7.084
   35    HD1  PHE   5           HD1      PHE   5   4.618  -3.506   9.054
   36    HD2  PHE   5           HD2      PHE   5   3.086  -4.132   5.134
   37    HE1  PHE   5           HE1      PHE   5   6.914  -3.578   8.173
   38    HE2  PHE   5           HE2      PHE   5   5.379  -4.204   4.244
   39    HZ   PHE   5           HZ       PHE   5   7.297  -3.928   5.765
   40    H    PHE   6           H        PHE   6  -0.835  -2.408   7.413
   41    HA   PHE   6           HA       PHE   6  -1.428  -2.556  10.281
   42   1HB   PHE   6          2HB       PHE   6  -2.035  -0.330   8.482
   43   2HB   PHE   6          1HB       PHE   6  -3.466  -0.965   9.287
   44    HD1  PHE   6           HD1      PHE   6  -0.242   0.700   9.747
   45    HD2  PHE   6           HD2      PHE   6  -3.746  -0.759  11.669
   46    HE1  PHE   6           HE1      PHE   6   0.344   1.970  11.772
   47    HE2  PHE   6           HE2      PHE   6  -3.167   0.508  13.698
   48    HZ   PHE   6           HZ       PHE   6  -1.119   1.874  13.750
   49    H    GLY   7           H        GLY   7  -2.102  -4.676  10.119
   50   1HA   GLY   7          2HA       GLY   7  -3.905  -5.497   8.029
   51   2HA   GLY   7          1HA       GLY   7  -3.304  -6.494   9.342
   52    H    CYS   8           H        CYS   8  -4.596  -3.534  10.415
   53    HA   CYS   8           HA       CYS   8  -7.126  -4.878  10.984
   54   1HB   CYS   8          2HB       CYS   8  -5.247  -4.215  12.862
   55   2HB   CYS   8          1HB       CYS   8  -6.335  -2.832  12.929
   56    HG   CYS   8           HG       CYS   8  -8.073  -5.179  13.128
   57    H    ILE   9           H        ILE   9  -5.726  -2.253   9.471
   58    HA   ILE   9           HA       ILE   9  -7.789  -0.320   9.998
   59    HB   ILE   9           HB       ILE   9  -6.768   1.014   8.217
   60   1HG1  ILE   9          2HG1      ILE   9  -4.972  -1.385   7.825
   61   2HG1  ILE   9          1HG1      ILE   9  -6.167  -0.788   6.684
   62   1HG2  ILE   9          1HG2      ILE   9  -5.176  -0.106  10.442
   63   2HG2  ILE   9          2HG2      ILE   9  -5.658   1.558  10.111
   64   3HG2  ILE   9          3HG2      ILE   9  -4.307   0.840   9.234
   65   1HD1  ILE   9          1HD1      ILE   9  -4.126  -0.013   5.877
   66   2HD1  ILE   9          2HD1      ILE   9  -3.563   0.446   7.484
   67   3HD1  ILE   9          3HD1      ILE   9  -4.835   1.379   6.695
   68    H    SER  10           H        SER  10  -9.171   0.574   8.293
   69    HA   SER  10           HA       SER  10  -9.977  -1.464   6.325
   70   1HB   SER  10          2HB       SER  10 -11.993   0.425   7.475
   71   2HB   SER  10          1HB       SER  10 -12.224  -1.196   6.820
   72    HG   SER  10           HG       SER  10 -11.018  -1.923   8.726
   73    H    ARG  11           H        ARG  11 -11.583  -0.329   4.686
   74    HA   ARG  11           HA       ARG  11 -10.044   1.532   3.242
   75   1HB   ARG  11          2HB       ARG  11 -12.097  -0.120   2.614
   76   2HB   ARG  11          1HB       ARG  11 -12.933   1.425   2.652
   77   1HG   ARG  11          2HG       ARG  11 -12.049   2.068   0.715
   78   2HG   ARG  11          1HG       ARG  11 -10.428   1.562   1.192
   79   1HD   ARG  11          2HD       ARG  11 -10.962  -0.743   0.613
   80   2HD   ARG  11          1HD       ARG  11 -12.603  -0.266   0.179
   81    HE   ARG  11           HE       ARG  11 -10.224   0.061  -1.402
   82   1HH1  ARG  11          2HH1      ARG  11 -13.459   1.237  -0.823
   83   2HH1  ARG  11          1HH1      ARG  11 -13.639   1.893  -2.415
   84   1HH2  ARG  11          1HH2      ARG  11 -10.460   0.922  -3.496
   85   2HH2  ARG  11          2HH2      ARG  11 -11.938   1.713  -3.934
   86    H    SER  12           H        SER  12 -12.173   1.953   5.835
   87    HA   SER  12           HA       SER  12 -13.056   4.600   5.201
   88   1HB   SER  12          2HB       SER  12 -13.017   3.204   7.886
   89   2HB   SER  12          1HB       SER  12 -13.952   4.639   7.466
   90    HG   SER  12           HG       SER  12 -15.427   3.343   6.751
   91    H    GLU  13           H        GLU  13 -10.657   3.282   7.491
   92    HA   GLU  13           HA       GLU  13  -9.729   5.883   8.244
   93   1HB   GLU  13          2HB       GLU  13  -8.137   3.376   8.654
   94   2HB   GLU  13          1HB       GLU  13  -8.218   4.812   9.665
   95   1HG   GLU  13          2HG       GLU  13 -10.802   3.916   9.723
   96   2HG   GLU  13          1HG       GLU  13  -9.880   2.414   9.669
   97    H    ALA  14           H        ALA  14  -8.487   3.319   6.123
   98    HA   ALA  14           HA       ALA  14  -6.028   4.461   5.525
   99   1HB   ALA  14          1HB       ALA  14  -6.703   2.156   4.952
  100   2HB   ALA  14          2HB       ALA  14  -5.986   3.024   3.595
  101   3HB   ALA  14          3HB       ALA  14  -7.734   2.804   3.676
  102    H    VAL  15           H        VAL  15  -9.213   5.055   4.121
  103    HA   VAL  15           HA       VAL  15  -8.281   6.635   1.958
  104    HB   VAL  15           HB       VAL  15 -10.723   5.625   2.668
  105   1HG1  VAL  15          1HG1      VAL  15 -12.295   7.479   2.806
  106   2HG1  VAL  15          2HG1      VAL  15 -10.953   8.620   2.874
  107   3HG1  VAL  15          3HG1      VAL  15 -11.201   7.469   4.188
  108   1HG2  VAL  15          1HG2      VAL  15 -11.440   7.236   0.657
  109   2HG2  VAL  15          2HG2      VAL  15 -10.465   5.783   0.435
  110   3HG2  VAL  15          3HG2      VAL  15  -9.685   7.362   0.528
  111    H    ARG  16           H        ARG  16  -9.518   7.485   5.173
  112    HA   ARG  16           HA       ARG  16  -9.022  10.290   4.786
  113   1HB   ARG  16          2HB       ARG  16 -10.847   9.485   6.244
  114   2HB   ARG  16          1HB       ARG  16  -9.653   8.779   7.324
  115   1HG   ARG  16          2HG       ARG  16 -10.258  10.792   8.337
  116   2HG   ARG  16          1HG       ARG  16  -8.710  11.132   7.561
  117   1HD   ARG  16          2HD       ARG  16 -10.721  11.668   5.655
  118   2HD   ARG  16          1HD       ARG  16 -11.245  12.401   7.171
  119    HE   ARG  16           HE       ARG  16  -8.506  12.959   6.505
  120   1HH1  ARG  16          2HH1      ARG  16 -11.819  13.958   6.053
  121   2HH1  ARG  16          1HH1      ARG  16 -11.405  15.596   5.674
  122   1HH2  ARG  16          1HH2      ARG  16  -7.959  15.114   6.008
  123   2HH2  ARG  16          2HH2      ARG  16  -9.214  16.253   5.647
  124    H    ARG  17           H        ARG  17  -7.244   7.599   5.836
  125    HA   ARG  17           HA       ARG  17  -5.271   9.060   7.350
  126   1HB   ARG  17          2HB       ARG  17  -5.782   6.743   7.949
  127   2HB   ARG  17          1HB       ARG  17  -5.327   6.202   6.338
  128   1HG   ARG  17          2HG       ARG  17  -3.104   6.368   6.758
  129   2HG   ARG  17          1HG       ARG  17  -3.298   7.684   7.916
  130   1HD   ARG  17          2HD       ARG  17  -4.582   5.669   9.196
  131   2HD   ARG  17          1HD       ARG  17  -3.340   4.770   8.325
  132    HE   ARG  17           HE       ARG  17  -2.221   7.018   9.640
  133   1HH1  ARG  17          2HH1      ARG  17  -3.459   3.813  10.249
  134   2HH1  ARG  17          1HH1      ARG  17  -2.487   3.571  11.661
  135   1HH2  ARG  17          1HH2      ARG  17  -0.942   6.701  11.497
  136   2HH2  ARG  17          2HH2      ARG  17  -1.059   5.210  12.370
  137    H    LEU  18           H        LEU  18  -5.599   7.612   4.174
  138    HA   LEU  18           HA       LEU  18  -2.966   8.131   3.240
  139   1HB   LEU  18          2HB       LEU  18  -5.568   7.402   2.008
  140   2HB   LEU  18          1HB       LEU  18  -4.247   7.915   0.978
  141    HG   LEU  18           HG       LEU  18  -4.712   5.368   1.591
  142   1HD1  LEU  18          1HD1      LEU  18  -2.268   6.887   0.918
  143   2HD1  LEU  18          2HD1      LEU  18  -3.125   5.642   0.010
  144   3HD1  LEU  18          3HD1      LEU  18  -2.072   5.188   1.350
  145   1HD2  LEU  18          1HD2      LEU  18  -2.490   5.859   3.495
  146   2HD2  LEU  18          2HD2      LEU  18  -3.667   4.548   3.433
  147   3HD2  LEU  18          3HD2      LEU  18  -4.138   6.120   4.062
  148    H    GLN  19           H        GLN  19  -5.918   9.906   3.370
  149    HA   GLN  19           HA       GLN  19  -4.925  12.030   1.642
  150   1HB   GLN  19          2HB       GLN  19  -7.574  11.250   2.727
  151   2HB   GLN  19          1HB       GLN  19  -7.315  12.959   2.407
  152   1HG   GLN  19          2HG       GLN  19  -7.036  12.619   0.129
  153   2HG   GLN  19          1HG       GLN  19  -6.687  10.904   0.329
  154   1HE2  GLN  19          1HE2      GLN  19  -9.317  12.779   1.738
  155   2HE2  GLN  19          2HE2      GLN  19 -10.594  11.911   0.962
  156    H    ALA  20           H        ALA  20  -4.895  11.311   4.955
  157    HA   ALA  20           HA       ALA  20  -5.396  13.658   6.277
  158   1HB   ALA  20          1HB       ALA  20  -4.412  11.324   7.065
  159   2HB   ALA  20          2HB       ALA  20  -4.242  12.784   8.040
  160   3HB   ALA  20          3HB       ALA  20  -2.901  12.235   7.034
  161    H    GLU  21           H        GLU  21  -3.715  15.234   7.215
  162    HA   GLU  21           HA       GLU  21  -2.293  16.338   4.979
  163   1HB   GLU  21          2HB       GLU  21  -2.583  17.413   7.778
  164   2HB   GLU  21          1HB       GLU  21  -1.864  18.288   6.432
  165   1HG   GLU  21          2HG       GLU  21  -3.999  18.241   5.254
  166   2HG   GLU  21          1HG       GLU  21  -4.722  17.355   6.597
  167    H    GLY  22           H        GLY  22  -1.545  14.040   6.874
  168   1HA   GLY  22          2HA       GLY  22   1.248  14.776   7.377
  169   2HA   GLY  22          1HA       GLY  22   0.432  13.352   8.014
  170    H    ASN  23           H        ASN  23  -0.575  13.502   4.945
  171    HA   ASN  23           HA       ASN  23   1.545  11.698   4.001
  172   1HB   ASN  23          2HB       ASN  23  -1.390  11.853   3.301
  173   2HB   ASN  23          1HB       ASN  23  -0.245  10.756   2.537
  174   1HD2  ASN  23          1HD2      ASN  23  -1.388   8.966   3.259
  175   2HD2  ASN  23          2HD2      ASN  23  -1.357   8.455   4.907
  176    H    ALA  24           H        ALA  24   2.910  12.761   2.746
  177    HA   ALA  24           HA       ALA  24   1.855  14.690   0.796
  178   1HB   ALA  24          1HB       ALA  24   3.948  15.733   0.763
  179   2HB   ALA  24          2HB       ALA  24   4.761  14.326   1.450
  180   3HB   ALA  24          3HB       ALA  24   3.707  15.316   2.460
  181    H    THR  25           H        THR  25   1.096  12.750  -0.374
  182    HA   THR  25           HA       THR  25   1.183  11.263  -2.048
  183    HB   THR  25           HB       THR  25   2.742  11.717  -3.880
  184    HG1  THR  25           HG1      THR  25   3.911  13.719  -2.268
  185   1HG2  THR  25          1HG2      THR  25   2.027  13.867  -4.452
  186   2HG2  THR  25          2HG2      THR  25   1.912  14.372  -2.767
  187   3HG2  THR  25          3HG2      THR  25   0.751  13.221  -3.423
  188    H    GLY  26           H        GLY  26   1.866   9.230  -2.472
  189   1HA   GLY  26          2HA       GLY  26   3.230   7.343  -2.398
  190   2HA   GLY  26          1HA       GLY  26   4.502   8.320  -1.682
  191    H    ALA  27           H        ALA  27   1.968   9.119   0.163
  192    HA   ALA  27           HA       ALA  27   2.785   7.641   2.403
  193   1HB   ALA  27          1HB       ALA  27   0.908   8.560   3.535
  194   2HB   ALA  27          2HB       ALA  27   0.060   8.859   2.018
  195   3HB   ALA  27          3HB       ALA  27   1.496   9.798   2.425
  196    H    PHE  28           H        PHE  28   2.877   5.516   1.940
  197    HA   PHE  28           HA       PHE  28   0.481   4.111   1.016
  198   1HB   PHE  28          2HB       PHE  28   3.379   3.757   0.955
  199   2HB   PHE  28          1HB       PHE  28   2.474   2.282   1.224
  200    HD1  PHE  28           HD1      PHE  28   0.797   1.608  -0.452
  201    HD2  PHE  28           HD2      PHE  28   3.599   4.681  -1.183
  202    HE1  PHE  28           HE1      PHE  28   0.520   1.253  -2.855
  203    HE2  PHE  28           HE2      PHE  28   3.324   4.372  -3.610
  204    HZ   PHE  28           HZ       PHE  28   1.787   2.644  -4.455
  205    H    LEU  29           H        LEU  29   0.018   2.022   1.965
  206    HA   LEU  29           HA       LEU  29   0.952   1.367   4.598
  207   1HB   LEU  29          2HB       LEU  29  -1.440   1.269   5.481
  208   2HB   LEU  29          1HB       LEU  29  -0.602   2.802   5.475
  209    HG   LEU  29           HG       LEU  29  -2.128   3.767   4.139
  210   1HD1  LEU  29          1HD1      LEU  29  -3.313   1.927   2.409
  211   2HD1  LEU  29          2HD1      LEU  29  -1.610   1.526   2.410
  212   3HD1  LEU  29          3HD1      LEU  29  -2.118   3.154   2.013
  213   1HD2  LEU  29          1HD2      LEU  29  -3.822   1.335   4.510
  214   2HD2  LEU  29          2HD2      LEU  29  -4.296   3.034   4.521
  215   3HD2  LEU  29          3HD2      LEU  29  -3.374   2.367   5.868
  216    H    ILE  30           H        ILE  30   0.773  -0.805   4.978
  217    HA   ILE  30           HA       ILE  30  -0.731  -2.304   2.938
  218    HB   ILE  30           HB       ILE  30   1.226  -3.685   4.697
  219   1HG1  ILE  30          2HG1      ILE  30   2.240  -1.521   3.643
  220   2HG1  ILE  30          1HG1      ILE  30   3.117  -3.036   3.493
  221   1HG2  ILE  30          1HG2      ILE  30  -0.457  -4.418   2.645
  222   2HG2  ILE  30          2HG2      ILE  30   0.892  -5.362   3.273
  223   3HG2  ILE  30          3HG2      ILE  30   1.118  -4.331   1.866
  224   1HD1  ILE  30          1HD1      ILE  30   1.327  -2.656   1.269
  225   2HD1  ILE  30          2HD1      ILE  30   3.071  -2.915   1.289
  226   3HD1  ILE  30          3HD1      ILE  30   2.423  -1.288   1.464
  227    H    ARG  31           H        ARG  31  -2.619  -3.019   3.569
  228    HA   ARG  31           HA       ARG  31  -2.930  -3.877   6.365
  229   1HB   ARG  31          2HB       ARG  31  -5.267  -3.290   6.213
  230   2HB   ARG  31          1HB       ARG  31  -4.323  -1.912   5.663
  231   1HG   ARG  31          2HG       ARG  31  -4.685  -2.921   3.312
  232   2HG   ARG  31          1HG       ARG  31  -5.999  -3.803   4.086
  233   1HD   ARG  31          2HD       ARG  31  -6.179  -1.084   4.881
  234   2HD   ARG  31          1HD       ARG  31  -5.968  -1.128   3.133
  235    HE   ARG  31           HE       ARG  31  -7.981  -2.904   4.245
  236   1HH1  ARG  31          2HH1      ARG  31  -7.287   0.146   2.689
  237   2HH1  ARG  31          1HH1      ARG  31  -8.902   0.350   2.099
  238   1HH2  ARG  31          1HH2      ARG  31 -10.099  -2.633   3.467
  239   2HH2  ARG  31          2HH2      ARG  31 -10.495  -1.226   2.538
  240    H    VAL  32           H        VAL  32  -5.008  -5.460   6.413
  241    HA   VAL  32           HA       VAL  32  -4.191  -7.675   4.726
  242    HB   VAL  32           HB       VAL  32  -5.775  -9.028   6.025
  243   1HG1  VAL  32          1HG1      VAL  32  -3.827  -9.159   7.159
  244   2HG1  VAL  32          2HG1      VAL  32  -4.735  -8.272   8.383
  245   3HG1  VAL  32          3HG1      VAL  32  -3.657  -7.408   7.288
  246   1HG2  VAL  32          1HG2      VAL  32  -6.704  -6.365   6.894
  247   2HG2  VAL  32          2HG2      VAL  32  -6.640  -7.610   8.141
  248   3HG2  VAL  32          3HG2      VAL  32  -7.601  -7.868   6.685
  249    H    SER  33           H        SER  33  -5.226  -8.448   3.015
  250    HA   SER  33           HA       SER  33  -6.958  -6.971   1.504
  251   1HB   SER  33          2HB       SER  33  -7.601  -9.261   0.475
  252   2HB   SER  33          1HB       SER  33  -5.914  -8.753   0.400
  253    HG   SER  33           HG       SER  33  -7.002 -10.438   2.406
  254    H    GLU  34           H        GLU  34  -8.684  -6.085   2.589
  255    HA   GLU  34           HA       GLU  34 -10.427  -7.431   4.296
  256   1HB   GLU  34          2HB       GLU  34 -10.531  -4.911   2.731
  257   2HB   GLU  34          1HB       GLU  34 -12.067  -5.550   3.302
  258   1HG   GLU  34          2HG       GLU  34  -9.681  -4.925   5.028
  259   2HG   GLU  34          1HG       GLU  34 -11.114  -3.915   4.845
  260    H    LYS  35           H        LYS  35 -10.077  -7.613   0.928
  261    HA   LYS  35           HA       LYS  35 -12.535  -9.206   0.749
  262   1HB   LYS  35          2HB       LYS  35 -11.868  -8.159  -1.834
  263   2HB   LYS  35          1HB       LYS  35 -13.345  -7.953  -0.905
  264   1HG   LYS  35          2HG       LYS  35 -10.880  -6.240  -0.621
  265   2HG   LYS  35          1HG       LYS  35 -12.307  -5.819  -1.566
  266   1HD   LYS  35          2HD       LYS  35 -13.036  -6.587   1.116
  267   2HD   LYS  35          1HD       LYS  35 -11.836  -5.293   1.137
  268   1HE   LYS  35          2HE       LYS  35 -13.252  -4.005  -0.422
  269   2HE   LYS  35          1HE       LYS  35 -14.464  -5.282  -0.347
  270   1HZ   LYS  35          1HZ       LYS  35 -14.324  -3.115   1.291
  271   2HZ   LYS  35          2HZ       LYS  35 -13.677  -4.352   2.246
  272   3HZ   LYS  35          3HZ       LYS  35 -15.224  -4.517   1.582
  273    HA   PRO  36           HA       PRO  36  -9.389 -11.089  -2.474
  274   1HB   PRO  36          2HB       PRO  36  -6.865  -9.757  -1.688
  275   2HB   PRO  36          1HB       PRO  36  -7.497 -10.118  -3.296
  276   1HG   PRO  36          2HG       PRO  36  -7.481  -7.623  -2.348
  277   2HG   PRO  36          1HG       PRO  36  -8.817  -8.221  -3.350
  278   1HD   PRO  36          2HD       PRO  36  -8.689  -7.839  -0.388
  279   2HD   PRO  36          1HD       PRO  36 -10.014  -7.510  -1.517
  280    H    SER  37           H        SER  37  -9.933 -12.678  -0.811
  281    HA   SER  37           HA       SER  37  -9.487 -14.123   0.937
  282   1HB   SER  37          2HB       SER  37  -6.797 -14.492  -0.312
  283   2HB   SER  37          1HB       SER  37  -7.976 -15.702   0.193
  284    HG   SER  37           HG       SER  37  -9.233 -15.148  -1.609
  285    H    ALA  38           H        ALA  38  -6.596 -14.788   1.647
  286    HA   ALA  38           HA       ALA  38  -6.419 -12.969   3.884
  287   1HB   ALA  38          1HB       ALA  38  -4.311 -14.995   3.394
  288   2HB   ALA  38          2HB       ALA  38  -5.942 -15.575   3.727
  289   3HB   ALA  38          3HB       ALA  38  -5.120 -14.538   4.893
  290    H    ASP  39           H        ASP  39  -5.531 -12.490   0.843
  291    HA   ASP  39           HA       ASP  39  -2.808 -11.885   0.853
  292   1HB   ASP  39          2HB       ASP  39  -4.886 -10.332  -0.694
  293   2HB   ASP  39          1HB       ASP  39  -3.216 -10.657  -1.143
  294    H    TYR  40           H        TYR  40  -2.736  -9.132   0.042
  295    HA   TYR  40           HA       TYR  40  -3.597  -7.655   2.420
  296   1HB   TYR  40          2HB       TYR  40  -0.775  -8.216   1.651
  297   2HB   TYR  40          1HB       TYR  40  -1.132  -6.535   2.037
  298    HD1  TYR  40           HD1      TYR  40  -1.918  -9.918   3.430
  299    HD2  TYR  40           HD2      TYR  40  -0.768  -5.901   4.223
  300    HE1  TYR  40           HE1      TYR  40  -1.753 -10.446   5.826
  301    HE2  TYR  40           HE2      TYR  40  -0.596  -6.418   6.621
  302    HH   TYR  40           HH       TYR  40  -1.580  -8.114   8.213
  303    H    VAL  41           H        VAL  41  -4.149  -5.610   2.023
  304    HA   VAL  41           HA       VAL  41  -3.976  -4.828  -0.808
  305    HB   VAL  41           HB       VAL  41  -5.847  -3.167  -0.111
  306   1HG1  VAL  41          1HG1      VAL  41  -5.945  -6.053  -0.755
  307   2HG1  VAL  41          2HG1      VAL  41  -6.596  -4.670  -1.634
  308   3HG1  VAL  41          3HG1      VAL  41  -7.461  -5.315  -0.239
  309   1HG2  VAL  41          1HG2      VAL  41  -7.022  -5.005   1.733
  310   2HG2  VAL  41          2HG2      VAL  41  -6.643  -3.299   1.965
  311   3HG2  VAL  41          3HG2      VAL  41  -5.441  -4.528   2.345
  312    H    LEU  42           H        LEU  42  -2.956  -3.036  -1.386
  313    HA   LEU  42           HA       LEU  42  -1.900  -1.383   0.793
  314   1HB   LEU  42          2HB       LEU  42  -0.129  -2.563  -0.305
  315   2HB   LEU  42          1HB       LEU  42  -0.695  -2.040  -1.883
  316    HG   LEU  42           HG       LEU  42  -0.193   0.289  -1.283
  317   1HD1  LEU  42          1HD1      LEU  42   1.445   0.262   0.855
  318   2HD1  LEU  42          2HD1      LEU  42   0.272  -0.965   1.334
  319   3HD1  LEU  42          3HD1      LEU  42  -0.269   0.659   0.920
  320   1HD2  LEU  42          1HD2      LEU  42   1.602  -0.472  -2.432
  321   2HD2  LEU  42          2HD2      LEU  42   1.857  -1.842  -1.350
  322   3HD2  LEU  42          3HD2      LEU  42   2.392  -0.231  -0.874
  323    H    SER  43           H        SER  43  -2.107   0.732   0.730
  324    HA   SER  43           HA       SER  43  -3.274   1.947  -1.671
  325   1HB   SER  43          2HB       SER  43  -5.034   2.747  -0.633
  326   2HB   SER  43          1HB       SER  43  -4.663   1.562   0.617
  327    HG   SER  43           HG       SER  43  -4.634   3.334   1.800
  328    H    VAL  44           H        VAL  44  -2.842   4.093  -2.022
  329    HA   VAL  44           HA       VAL  44  -0.634   5.290  -0.433
  330    HB   VAL  44           HB       VAL  44   0.355   4.026  -2.313
  331   1HG1  VAL  44          1HG1      VAL  44  -1.569   4.499  -3.891
  332   2HG1  VAL  44          2HG1      VAL  44   0.057   4.614  -4.568
  333   3HG1  VAL  44          3HG1      VAL  44  -0.827   6.079  -4.147
  334   1HG2  VAL  44          1HG2      VAL  44   1.741   5.938  -3.153
  335   2HG2  VAL  44          2HG2      VAL  44   1.610   5.811  -1.399
  336   3HG2  VAL  44          3HG2      VAL  44   0.659   7.004  -2.266
  337    H    ARG  45           H        ARG  45  -0.732   7.539  -0.374
  338    HA   ARG  45           HA       ARG  45  -3.107   8.818  -1.261
  339   1HB   ARG  45          2HB       ARG  45  -1.679   9.601   0.666
  340   2HB   ARG  45          1HB       ARG  45  -0.516  10.184  -0.517
  341   1HG   ARG  45          2HG       ARG  45  -2.267  11.638  -1.474
  342   2HG   ARG  45          1HG       ARG  45  -3.362  11.112  -0.196
  343   1HD   ARG  45          2HD       ARG  45  -1.784  11.991   1.475
  344   2HD   ARG  45          1HD       ARG  45  -0.747  12.565   0.173
  345    HE   ARG  45           HE       ARG  45  -3.193  13.761   1.107
  346   1HH1  ARG  45          2HH1      ARG  45  -0.967  13.492  -1.567
  347   2HH1  ARG  45          1HH1      ARG  45  -1.433  15.005  -2.268
  348   1HH2  ARG  45          1HH2      ARG  45  -3.806  15.752   0.186
  349   2HH2  ARG  45          2HH2      ARG  45  -3.043  16.288  -1.274
  350    H    ASP  46           H        ASP  46  -0.414   7.781  -2.894
  351    HA   ASP  46           HA       ASP  46   0.590   8.303  -4.889
  352   1HB   ASP  46          2HB       ASP  46  -0.976   8.601  -6.740
  353   2HB   ASP  46          1HB       ASP  46  -1.596   7.405  -5.609
  354    H    THR  47           H        THR  47  -0.845  10.546  -6.618
  355    HA   THR  47           HA       THR  47   0.751  12.687  -5.435
  356    HB   THR  47           HB       THR  47   1.168  12.234  -7.786
  357    HG1  THR  47           HG1      THR  47   1.083  14.464  -6.969
  358   1HG2  THR  47          1HG2      THR  47  -1.682  12.034  -7.968
  359   2HG2  THR  47          2HG2      THR  47  -0.447  11.589  -9.146
  360   3HG2  THR  47          3HG2      THR  47  -1.077  13.237  -9.108
  361    H    GLN  48           H        GLN  48  -2.371  11.624  -5.340
  362    HA   GLN  48           HA       GLN  48  -3.393  13.764  -3.909
  363   1HB   GLN  48          2HB       GLN  48  -3.710  13.993  -6.842
  364   2HB   GLN  48          1HB       GLN  48  -5.172  14.258  -5.903
  365   1HG   GLN  48          2HG       GLN  48  -3.262  15.738  -4.567
  366   2HG   GLN  48          1HG       GLN  48  -2.859  15.964  -6.267
  367   1HE2  GLN  48          1HE2      GLN  48  -3.865  17.922  -4.424
  368   2HE2  GLN  48          2HE2      GLN  48  -5.371  18.483  -5.057
  369    H    ALA  49           H        ALA  49  -5.308  13.164  -2.937
  370    HA   ALA  49           HA       ALA  49  -7.028  11.797  -2.302
  371   1HB   ALA  49          1HB       ALA  49  -8.386  10.788  -3.955
  372   2HB   ALA  49          2HB       ALA  49  -7.051  10.699  -5.105
  373   3HB   ALA  49          3HB       ALA  49  -7.755  12.262  -4.690
  374    H    VAL  50           H        VAL  50  -7.667   9.199  -2.718
  375    HA   VAL  50           HA       VAL  50  -5.125   7.844  -2.113
  376    HB   VAL  50           HB       VAL  50  -7.878   6.956  -1.259
  377   1HG1  VAL  50          1HG1      VAL  50  -6.472   5.579   0.357
  378   2HG1  VAL  50          2HG1      VAL  50  -5.087   5.987  -0.656
  379   3HG1  VAL  50          3HG1      VAL  50  -6.437   5.077  -1.333
  380   1HG2  VAL  50          1HG2      VAL  50  -7.498   8.962  -0.102
  381   2HG2  VAL  50          2HG2      VAL  50  -5.791   8.595   0.141
  382   3HG2  VAL  50          3HG2      VAL  50  -7.024   7.687   1.016
  383    H    ARG  51           H        ARG  51  -4.814   5.722  -2.754
  384    HA   ARG  51           HA       ARG  51  -6.540   4.650  -4.847
  385   1HB   ARG  51          2HB       ARG  51  -3.542   4.913  -5.170
  386   2HB   ARG  51          1HB       ARG  51  -4.665   4.225  -6.334
  387   1HG   ARG  51          2HG       ARG  51  -5.767   6.592  -6.220
  388   2HG   ARG  51          1HG       ARG  51  -4.180   7.072  -5.620
  389   1HD   ARG  51          2HD       ARG  51  -3.371   7.074  -7.687
  390   2HD   ARG  51          1HD       ARG  51  -3.826   5.383  -7.888
  391    HE   ARG  51           HE       ARG  51  -5.652   6.047  -9.104
  392   1HH1  ARG  51          2HH1      ARG  51  -4.308   8.817  -7.461
  393   2HH1  ARG  51          1HH1      ARG  51  -5.296   9.957  -8.310
  394   1HH2  ARG  51          1HH2      ARG  51  -6.955   7.547 -10.221
  395   2HH2  ARG  51          2HH2      ARG  51  -6.800   9.236  -9.875
  396    H    HIS  52           H        HIS  52  -7.138   2.833  -3.805
  397    HA   HIS  52           HA       HIS  52  -5.226   1.427  -2.145
  398   1HB   HIS  52          2HB       HIS  52  -8.144   0.892  -2.807
  399   2HB   HIS  52          1HB       HIS  52  -7.183  -0.124  -1.730
  400    HD1  HIS  52           HD1      HIS  52  -6.287   1.014   0.439
  401    HD2  HIS  52           HD2      HIS  52  -9.107   3.216  -1.657
  402    HE1  HIS  52           HE1      HIS  52  -6.848   2.943   1.912
  403    HE2  HIS  52           HE2      HIS  52  -8.728   4.145   0.730
  404    H    TYR  53           H        TYR  53  -4.944  -0.945  -2.391
  405    HA   TYR  53           HA       TYR  53  -5.274  -1.973  -5.079
  406   1HB   TYR  53          2HB       TYR  53  -2.557  -1.416  -3.885
  407   2HB   TYR  53          1HB       TYR  53  -2.836  -2.329  -5.367
  408    HD1  TYR  53           HD1      TYR  53  -2.858   1.023  -3.837
  409    HD2  TYR  53           HD2      TYR  53  -3.586  -1.232  -7.366
  410    HE1  TYR  53           HE1      TYR  53  -2.868   3.094  -5.173
  411    HE2  TYR  53           HE2      TYR  53  -3.595   0.827  -8.706
  412    HH   TYR  53           HH       TYR  53  -2.642   3.883  -7.366
  413    H    LYS  54           H        LYS  54  -4.973  -4.165  -5.281
  414    HA   LYS  54           HA       LYS  54  -4.998  -5.668  -2.783
  415   1HB   LYS  54          2HB       LYS  54  -6.811  -6.232  -4.232
  416   2HB   LYS  54          1HB       LYS  54  -5.748  -6.358  -5.626
  417   1HG   LYS  54          2HG       LYS  54  -4.675  -8.329  -4.515
  418   2HG   LYS  54          1HG       LYS  54  -5.949  -8.251  -3.298
  419   1HD   LYS  54          2HD       LYS  54  -6.537  -9.875  -4.992
  420   2HD   LYS  54          1HD       LYS  54  -7.630  -8.492  -5.093
  421   1HE   LYS  54          2HE       LYS  54  -6.623  -7.690  -7.041
  422   2HE   LYS  54          1HE       LYS  54  -5.159  -8.640  -6.785
  423   1HZ   LYS  54          1HZ       LYS  54  -7.771  -9.502  -7.825
  424   2HZ   LYS  54          2HZ       LYS  54  -6.774 -10.628  -7.050
  425   3HZ   LYS  54          3HZ       LYS  54  -6.221  -9.816  -8.427
  426    H    ILE  55           H        ILE  55  -3.134  -6.459  -2.079
  427    HA   ILE  55           HA       ILE  55  -0.992  -7.030  -3.999
  428    HB   ILE  55           HB       ILE  55  -0.599  -7.354  -1.070
  429   1HG1  ILE  55          2HG1      ILE  55  -0.226  -4.608  -2.183
  430   2HG1  ILE  55          1HG1      ILE  55  -1.834  -5.087  -1.652
  431   1HG2  ILE  55          1HG2      ILE  55   1.044  -7.557  -3.190
  432   2HG2  ILE  55          2HG2      ILE  55   1.586  -7.170  -1.556
  433   3HG2  ILE  55          3HG2      ILE  55   1.322  -5.878  -2.726
  434   1HD1  ILE  55          1HD1      ILE  55  -0.216  -5.877   0.426
  435   2HD1  ILE  55          2HD1      ILE  55  -1.206  -4.420   0.366
  436   3HD1  ILE  55          3HD1      ILE  55   0.492  -4.352  -0.102
  437    H    TRP  56           H        TRP  56  -1.432  -8.973  -4.848
  438    HA   TRP  56           HA       TRP  56  -2.590 -11.069  -3.253
  439   1HB   TRP  56          2HB       TRP  56  -3.257 -10.671  -5.596
  440   2HB   TRP  56          1HB       TRP  56  -1.642 -11.135  -6.120
  441    HD1  TRP  56           HD1      TRP  56  -0.962 -13.790  -5.211
  442    HE1  TRP  56           HE1      TRP  56  -2.450 -15.882  -5.392
  443    HE3  TRP  56           HE3      TRP  56  -5.508 -11.509  -5.723
  444    HZ2  TRP  56           HZ2      TRP  56  -5.190 -16.485  -5.710
  445    HZ3  TRP  56           HZ3      TRP  56  -7.513 -12.915  -5.960
  446    HH2  TRP  56           HH2      TRP  56  -7.356 -15.351  -5.954
  447    H    ARG  57           H        ARG  57  -1.665 -12.730  -2.344
  448    HA   ARG  57           HA       ARG  57   1.222 -12.916  -2.301
  449   1HB   ARG  57          2HB       ARG  57  -0.637 -13.236  -0.381
  450   2HB   ARG  57          1HB       ARG  57  -0.453 -14.910  -0.883
  451   1HG   ARG  57          2HG       ARG  57   1.777 -14.989  -0.230
  452   2HG   ARG  57          1HG       ARG  57   1.929 -13.232  -0.208
  453   1HD   ARG  57          2HD       ARG  57   0.298 -13.202   1.693
  454   2HD   ARG  57          1HD       ARG  57   0.396 -14.962   1.727
  455    HE   ARG  57           HE       ARG  57   2.989 -14.144   1.899
  456   1HH1  ARG  57          2HH1      ARG  57   0.091 -13.464   3.723
  457   2HH1  ARG  57          1HH1      ARG  57   0.939 -13.204   5.210
  458   1HH2  ARG  57          1HH2      ARG  57   4.104 -13.804   3.852
  459   2HH2  ARG  57          2HH2      ARG  57   3.219 -13.396   5.283
  460    H    ARG  58           H        ARG  58   2.444 -14.543  -3.126
  461    HA   ARG  58           HA       ARG  58   1.105 -16.373  -4.969
  462   1HB   ARG  58          2HB       ARG  58   3.971 -15.518  -4.631
  463   2HB   ARG  58          1HB       ARG  58   3.509 -16.838  -5.692
  464   1HG   ARG  58          2HG       ARG  58   1.827 -14.945  -6.575
  465   2HG   ARG  58          1HG       ARG  58   3.160 -13.931  -6.019
  466   1HD   ARG  58          2HD       ARG  58   3.952 -14.329  -8.097
  467   2HD   ARG  58          1HD       ARG  58   4.542 -15.812  -7.347
  468    HE   ARG  58           HE       ARG  58   1.896 -16.069  -8.417
  469   1HH1  ARG  58          2HH1      ARG  58   5.296 -16.180  -9.195
  470   2HH1  ARG  58          1HH1      ARG  58   5.075 -17.210 -10.570
  471   1HH2  ARG  58          1HH2      ARG  58   1.603 -17.425 -10.225
  472   2HH2  ARG  58          2HH2      ARG  58   2.980 -17.917 -11.155
  473    H    ALA  59           H        ALA  59   0.398 -17.328  -2.719
  474    HA   ALA  59           HA       ALA  59   0.338 -19.308  -1.569
  475   1HB   ALA  59          1HB       ALA  59   1.716 -20.113  -3.670
  476   2HB   ALA  59          2HB       ALA  59   1.567 -21.121  -2.231
  477   3HB   ALA  59          3HB       ALA  59   3.030 -20.173  -2.495
  478    H    GLY  60           H        GLY  60   1.419 -16.843  -0.598
  479   1HA   GLY  60          2HA       GLY  60   2.349 -16.092   1.364
  480   2HA   GLY  60          1HA       GLY  60   2.558 -17.772   1.834
  481    H    GLY  61           H        GLY  61   3.930 -15.945  -0.905
  482   1HA   GLY  61          2HA       GLY  61   6.514 -15.743   0.281
  483   2HA   GLY  61          1HA       GLY  61   6.436 -17.107  -0.820
  484    H    ARG  62           H        ARG  62   4.579 -14.200  -1.430
  485    HA   ARG  62           HA       ARG  62   6.371 -12.677  -2.861
  486   1HB   ARG  62          2HB       ARG  62   5.989 -15.083  -4.216
  487   2HB   ARG  62          1HB       ARG  62   4.972 -13.933  -5.072
  488   1HG   ARG  62          2HG       ARG  62   6.759 -12.620  -5.712
  489   2HG   ARG  62          1HG       ARG  62   7.801 -13.232  -4.426
  490   1HD   ARG  62          2HD       ARG  62   7.282 -15.507  -5.812
  491   2HD   ARG  62          1HD       ARG  62   7.265 -14.311  -7.106
  492    HE   ARG  62           HE       ARG  62   9.533 -14.089  -5.354
  493   1HH1  ARG  62          2HH1      ARG  62   8.256 -15.662  -8.195
  494   2HH1  ARG  62          1HH1      ARG  62   9.817 -16.013  -8.857
  495   1HH2  ARG  62          1HH2      ARG  62  11.587 -14.548  -6.222
  496   2HH2  ARG  62          2HH2      ARG  62  11.709 -15.380  -7.737
  497    H    LEU  63           H        LEU  63   5.407 -10.802  -2.999
  498    HA   LEU  63           HA       LEU  63   2.483 -10.699  -3.190
  499   1HB   LEU  63          2HB       LEU  63   4.541  -8.772  -2.146
  500   2HB   LEU  63          1HB       LEU  63   2.920  -8.239  -2.545
  501    HG   LEU  63           HG       LEU  63   3.193  -8.719  -0.142
  502   1HD1  LEU  63          1HD1      LEU  63   1.074  -9.256  -1.691
  503   2HD1  LEU  63          2HD1      LEU  63   1.082  -9.512   0.054
  504   3HD1  LEU  63          3HD1      LEU  63   1.373 -10.866  -1.038
  505   1HD2  LEU  63          1HD2      LEU  63   3.250 -11.635  -0.644
  506   2HD2  LEU  63          2HD2      LEU  63   3.916 -10.700   0.695
  507   3HD2  LEU  63          3HD2      LEU  63   4.765 -10.757  -0.849
  508    H    HIS  64           H        HIS  64   1.463  -9.497  -4.754
  509    HA   HIS  64           HA       HIS  64   2.985  -7.948  -6.643
  510   1HB   HIS  64          2HB       HIS  64   2.339  -9.253  -8.610
  511   2HB   HIS  64          1HB       HIS  64   3.309 -10.225  -7.510
  512    HD1  HIS  64           HD1      HIS  64   0.016 -10.064  -9.155
  513    HD2  HIS  64           HD2      HIS  64   1.825 -12.243  -6.115
  514    HE1  HIS  64           HE1      HIS  64  -1.475 -12.053  -8.776
  515    HE2  HIS  64           HE2      HIS  64  -0.276 -13.432  -7.042
  516    H    LEU  65           H        LEU  65   1.733  -6.193  -6.355
  517    HA   LEU  65           HA       LEU  65  -1.057  -6.260  -6.025
  518   1HB   LEU  65          2HB       LEU  65   0.713  -3.992  -6.918
  519   2HB   LEU  65          1HB       LEU  65  -0.963  -3.821  -6.432
  520    HG   LEU  65           HG       LEU  65  -0.135  -4.919  -4.203
  521   1HD1  LEU  65          1HD1      LEU  65   2.371  -4.127  -5.596
  522   2HD1  LEU  65          2HD1      LEU  65   2.059  -5.486  -4.516
  523   3HD1  LEU  65          3HD1      LEU  65   2.254  -3.861  -3.857
  524   1HD2  LEU  65          1HD2      LEU  65  -0.954  -2.841  -3.853
  525   2HD2  LEU  65          2HD2      LEU  65  -0.039  -2.134  -5.184
  526   3HD2  LEU  65          3HD2      LEU  65   0.754  -2.459  -3.643
  527    H    ASN  66           H        ASN  66   0.999  -6.121  -8.779
  528    HA   ASN  66           HA       ASN  66  -1.353  -6.217 -10.542
  529   1HB   ASN  66          2HB       ASN  66  -0.002  -3.976 -10.472
  530   2HB   ASN  66          1HB       ASN  66   1.163  -4.863 -11.451
  531   1HD2  ASN  66          1HD2      ASN  66  -2.377  -4.597 -11.327
  532   2HD2  ASN  66          2HD2      ASN  66  -2.580  -4.280 -13.013
  533    H    GLU  67           H        GLU  67  -0.892  -7.179 -12.671
  534    HA   GLU  67           HA       GLU  67   0.634  -9.586 -12.397
  535   1HB   GLU  67          2HB       GLU  67  -1.108  -8.406 -14.532
  536   2HB   GLU  67          1HB       GLU  67  -0.070  -9.772 -14.916
  537   1HG   GLU  67          2HG       GLU  67  -1.446 -11.207 -13.935
  538   2HG   GLU  67          1HG       GLU  67  -1.548 -10.222 -12.476
  539    H    ALA  68           H        ALA  68   2.397  -7.647 -12.059
  540    HA   ALA  68           HA       ALA  68   4.300  -8.087 -14.161
  541   1HB   ALA  68          1HB       ALA  68   2.990  -5.422 -13.817
  542   2HB   ALA  68          2HB       ALA  68   3.418  -6.276 -15.299
  543   3HB   ALA  68          3HB       ALA  68   4.677  -5.514 -14.326
  544    H    VAL  69           H        VAL  69   3.377  -6.389 -11.241
  545    HA   VAL  69           HA       VAL  69   6.158  -6.211 -10.354
  546    HB   VAL  69           HB       VAL  69   5.029  -4.174  -9.991
  547   1HG1  VAL  69          1HG1      VAL  69   2.798  -4.287 -10.153
  548   2HG1  VAL  69          2HG1      VAL  69   2.832  -4.504  -8.404
  549   3HG1  VAL  69          3HG1      VAL  69   2.734  -5.909  -9.465
  550   1HG2  VAL  69          1HG2      VAL  69   6.111  -5.509  -7.898
  551   2HG2  VAL  69          2HG2      VAL  69   4.508  -5.135  -7.264
  552   3HG2  VAL  69          3HG2      VAL  69   5.557  -3.836  -7.832
  553    H    SER  70           H        SER  70   6.950  -7.886  -9.227
  554    HA   SER  70           HA       SER  70   5.217  -9.181  -7.251
  555   1HB   SER  70          2HB       SER  70   6.148 -11.406  -7.921
  556   2HB   SER  70          1HB       SER  70   5.127 -10.663  -9.151
  557    HG   SER  70           HG       SER  70   7.043  -9.967 -10.198
  558    H    PHE  71           H        PHE  71   6.197  -9.720  -5.361
  559    HA   PHE  71           HA       PHE  71   9.072  -9.927  -5.166
  560   1HB   PHE  71          2HB       PHE  71   7.941  -7.398  -4.789
  561   2HB   PHE  71          1HB       PHE  71   8.246  -8.005  -3.164
  562    HD1  PHE  71           HD1      PHE  71   9.591  -5.666  -4.694
  563    HD2  PHE  71           HD2      PHE  71  10.679  -9.726  -4.024
  564    HE1  PHE  71           HE1      PHE  71  11.968  -5.066  -4.921
  565    HE2  PHE  71           HE2      PHE  71  13.054  -9.132  -4.249
  566    HZ   PHE  71           HZ       PHE  71  13.701  -6.799  -4.698
  567    H    LEU  72           H        LEU  72   9.561 -11.409  -3.823
  568    HA   LEU  72           HA       LEU  72   8.272 -13.247  -2.553
  569   1HB   LEU  72          2HB       LEU  72   9.978 -13.058  -0.626
  570   2HB   LEU  72          1HB       LEU  72  10.550 -13.333  -2.261
  571    HG   LEU  72           HG       LEU  72  10.691 -10.676  -2.275
  572   1HD1  LEU  72          1HD1      LEU  72  10.270  -9.777  -0.280
  573   2HD1  LEU  72          2HD1      LEU  72  11.765 -10.518   0.288
  574   3HD1  LEU  72          3HD1      LEU  72  10.228 -11.355   0.504
  575   1HD2  LEU  72          1HD2      LEU  72  12.913 -11.906  -0.772
  576   2HD2  LEU  72          2HD2      LEU  72  12.927 -10.982  -2.275
  577   3HD2  LEU  72          3HD2      LEU  72  12.476 -12.688  -2.291
  578    H    SER  73           H        SER  73   8.571 -10.040  -1.006
  579    HA   SER  73           HA       SER  73   6.215 -10.676   0.585
  580   1HB   SER  73          2HB       SER  73   8.379 -11.256   1.847
  581   2HB   SER  73          1HB       SER  73   8.625  -9.513   1.953
  582    HG   SER  73           HG       SER  73   7.457  -9.826   3.707
  583    H    LEU  74           H        LEU  74   5.435  -8.748   1.843
  584    HA   LEU  74           HA       LEU  74   4.892  -6.619   0.175
  585   1HB   LEU  74          2HB       LEU  74   4.338  -7.306   2.866
  586   2HB   LEU  74          1HB       LEU  74   4.924  -5.656   2.866
  587    HG   LEU  74           HG       LEU  74   2.727  -5.228   2.588
  588   1HD1  LEU  74          1HD1      LEU  74   3.054  -5.909  -0.297
  589   2HD1  LEU  74          2HD1      LEU  74   4.062  -4.658   0.429
  590   3HD1  LEU  74          3HD1      LEU  74   2.310  -4.494   0.445
  591   1HD2  LEU  74          1HD2      LEU  74   2.625  -8.005   1.625
  592   2HD2  LEU  74          2HD2      LEU  74   1.397  -6.921   0.971
  593   3HD2  LEU  74          3HD2      LEU  74   1.543  -7.138   2.714
  594    HA   PRO  75           HA       PRO  75   8.465  -4.248   2.826
  595   1HB   PRO  75          2HB       PRO  75  10.199  -6.685   2.693
  596   2HB   PRO  75          1HB       PRO  75  10.172  -5.390   3.898
  597   1HG   PRO  75          2HG       PRO  75   9.033  -7.761   4.386
  598   2HG   PRO  75          1HG       PRO  75   8.318  -6.252   4.978
  599   1HD   PRO  75          2HD       PRO  75   7.421  -8.038   2.800
  600   2HD   PRO  75          1HD       PRO  75   6.480  -6.920   3.803
  601    H    GLU  76           H        GLU  76   9.500  -6.903   0.680
  602    HA   GLU  76           HA       GLU  76  11.238  -5.249  -0.848
  603   1HB   GLU  76          2HB       GLU  76  10.032  -7.939  -1.536
  604   2HB   GLU  76          1HB       GLU  76  11.381  -7.175  -2.367
  605   1HG   GLU  76          2HG       GLU  76  11.323  -8.181   0.463
  606   2HG   GLU  76          1HG       GLU  76  12.238  -8.840  -0.892
  607    H    LEU  77           H        LEU  77   7.982  -6.541  -1.342
  608    HA   LEU  77           HA       LEU  77   7.488  -5.578  -3.904
  609   1HB   LEU  77          2HB       LEU  77   5.912  -7.070  -3.019
  610   2HB   LEU  77          1HB       LEU  77   5.731  -6.151  -1.541
  611    HG   LEU  77           HG       LEU  77   3.792  -6.152  -3.217
  612   1HD1  LEU  77          1HD1      LEU  77   3.078  -4.457  -1.987
  613   2HD1  LEU  77          2HD1      LEU  77   4.186  -3.344  -2.790
  614   3HD1  LEU  77          3HD1      LEU  77   4.722  -4.256  -1.380
  615   1HD2  LEU  77          1HD2      LEU  77   5.812  -5.160  -4.914
  616   2HD2  LEU  77          2HD2      LEU  77   4.695  -3.830  -4.618
  617   3HD2  LEU  77          3HD2      LEU  77   4.096  -5.358  -5.263
  618    H    VAL  78           H        VAL  78   7.492  -3.956  -0.820
  619    HA   VAL  78           HA       VAL  78   6.310  -1.522  -1.822
  620    HB   VAL  78           HB       VAL  78   7.525  -2.326   0.817
  621   1HG1  VAL  78          1HG1      VAL  78   7.750   0.257  -0.101
  622   2HG1  VAL  78          2HG1      VAL  78   7.736  -0.237   1.587
  623   3HG1  VAL  78          3HG1      VAL  78   6.245   0.295   0.813
  624   1HG2  VAL  78          1HG2      VAL  78   5.221  -3.031   0.231
  625   2HG2  VAL  78          2HG2      VAL  78   4.769  -1.329   0.118
  626   3HG2  VAL  78          3HG2      VAL  78   5.301  -2.000   1.660
  627    H    ASN  79           H        ASN  79   9.512  -2.806  -1.157
  628    HA   ASN  79           HA       ASN  79  10.958  -0.399  -1.454
  629   1HB   ASN  79          2HB       ASN  79  11.597  -2.990  -0.781
  630   2HB   ASN  79          1HB       ASN  79  12.340  -2.825  -2.368
  631   1HD2  ASN  79          1HD2      ASN  79  13.119  -0.223  -2.379
  632   2HD2  ASN  79          2HD2      ASN  79  14.314   0.043  -1.161
  633    H    TYR  80           H        TYR  80   9.859  -2.852  -3.720
  634    HA   TYR  80           HA       TYR  80  11.203  -1.735  -5.987
  635   1HB   TYR  80          2HB       TYR  80  10.551  -4.125  -5.854
  636   2HB   TYR  80          1HB       TYR  80   8.858  -3.648  -5.896
  637    HD1  TYR  80           HD1      TYR  80   7.878  -4.131  -7.920
  638    HD2  TYR  80           HD2      TYR  80  11.894  -2.727  -7.884
  639    HE1  TYR  80           HE1      TYR  80   7.918  -4.202 -10.377
  640    HE2  TYR  80           HE2      TYR  80  11.945  -2.793 -10.341
  641    HH   TYR  80           HH       TYR  80   9.780  -4.435 -12.182
  642    H    HIS  81           H        HIS  81   8.007  -1.472  -4.550
  643    HA   HIS  81           HA       HIS  81   6.729  -0.092  -6.637
  644   1HB   HIS  81          2HB       HIS  81   6.175  -0.728  -3.850
  645   2HB   HIS  81          1HB       HIS  81   5.610   0.883  -4.274
  646    HD1  HIS  81           HD1      HIS  81   4.887  -0.026  -7.287
  647    HD2  HIS  81           HD2      HIS  81   3.564  -1.729  -3.735
  648    HE1  HIS  81           HE1      HIS  81   2.750  -1.213  -7.869
  649    HE2  HIS  81           HE2      HIS  81   1.931  -2.175  -5.692
  650    H    ARG  82           H        ARG  82   8.874   0.958  -4.079
  651    HA   ARG  82           HA       ARG  82   8.361   3.724  -4.341
  652   1HB   ARG  82          2HB       ARG  82   9.349   2.847  -2.305
  653   2HB   ARG  82          1HB       ARG  82  10.748   2.282  -3.207
  654   1HG   ARG  82          2HG       ARG  82  11.689   4.335  -3.300
  655   2HG   ARG  82          1HG       ARG  82  10.136   5.166  -3.395
  656   1HD   ARG  82          2HD       ARG  82  10.348   5.680  -1.243
  657   2HD   ARG  82          1HD       ARG  82  10.206   3.965  -0.864
  658    HE   ARG  82           HE       ARG  82  12.589   5.562  -0.794
  659   1HH1  ARG  82          2HH1      ARG  82  11.338   2.324  -1.160
  660   2HH1  ARG  82          1HH1      ARG  82  12.801   1.565  -0.630
  661   1HH2  ARG  82          1HH2      ARG  82  14.515   4.565  -0.098
  662   2HH2  ARG  82          2HH2      ARG  82  14.605   2.836  -0.028
  663    H    ALA  83           H        ALA  83  10.898   1.674  -5.566
  664    HA   ALA  83           HA       ALA  83  12.210   3.736  -7.012
  665   1HB   ALA  83          1HB       ALA  83  13.673   2.021  -6.713
  666   2HB   ALA  83          2HB       ALA  83  13.056   1.551  -8.297
  667   3HB   ALA  83          3HB       ALA  83  12.421   0.785  -6.841
  668    H    GLN  84           H        GLN  84  10.329   0.953  -8.131
  669    HA   GLN  84           HA       GLN  84   9.735   2.364 -10.622
  670   1HB   GLN  84          2HB       GLN  84  10.580  -0.139 -10.334
  671   2HB   GLN  84          1HB       GLN  84   8.856  -0.443 -10.167
  672   1HG   GLN  84          2HG       GLN  84   8.763  -0.537 -12.376
  673   2HG   GLN  84          1HG       GLN  84   9.036   1.204 -12.384
  674   1HE2  GLN  84          1HE2      GLN  84  10.914  -1.793 -12.043
  675   2HE2  GLN  84          2HE2      GLN  84  12.206  -1.301 -13.078
  676    H    SER  85           H        SER  85   7.710   2.891 -11.291
  677    HA   SER  85           HA       SER  85   5.591   2.725  -9.275
  678   1HB   SER  85          2HB       SER  85   4.432   4.277 -11.052
  679   2HB   SER  85          1HB       SER  85   5.690   4.937 -10.009
  680    HG   SER  85           HG       SER  85   6.268   3.847 -12.552
  681    H    LEU  86           H        LEU  86   6.168   0.321 -10.386
  682    HA   LEU  86           HA       LEU  86   5.062  -0.530 -12.707
  683   1HB   LEU  86          2HB       LEU  86   6.027  -1.734 -10.408
  684   2HB   LEU  86          1HB       LEU  86   4.396  -2.362 -10.552
  685    HG   LEU  86           HG       LEU  86   6.019  -3.837 -11.633
  686   1HD1  LEU  86          1HD1      LEU  86   4.976  -3.571 -14.048
  687   2HD1  LEU  86          2HD1      LEU  86   3.901  -2.465 -13.194
  688   3HD1  LEU  86          3HD1      LEU  86   4.022  -4.148 -12.682
  689   1HD2  LEU  86          1HD2      LEU  86   6.812  -2.682 -13.947
  690   2HD2  LEU  86          2HD2      LEU  86   7.803  -2.769 -12.491
  691   3HD2  LEU  86          3HD2      LEU  86   6.886  -1.305 -12.848
  692    H    SER  87           H        SER  87   3.209   0.201 -13.493
  693    HA   SER  87           HA       SER  87   1.003   0.828 -13.628
  694   1HB   SER  87          2HB       SER  87   1.056  -2.048 -12.770
  695   2HB   SER  87          1HB       SER  87  -0.472  -1.239 -13.115
  696    HG   SER  87           HG       SER  87   0.397  -0.728 -15.195
  697    H    HIS  88           H        HIS  88   2.105   1.650 -11.054
  698    HA   HIS  88           HA       HIS  88  -0.368   1.477  -9.465
  699   1HB   HIS  88          2HB       HIS  88   1.607   0.323  -8.416
  700   2HB   HIS  88          1HB       HIS  88   2.397   1.894  -8.311
  701    HD1  HIS  88           HD1      HIS  88   0.824  -0.281  -6.171
  702    HD2  HIS  88           HD2      HIS  88   0.203   3.744  -6.966
  703    HE1  HIS  88           HE1      HIS  88  -0.387   0.643  -4.170
  704    HE2  HIS  88           HE2      HIS  88  -0.940   2.991  -4.791
  705    H    GLY  89           H        GLY  89  -1.195   3.321  -8.589
  706   1HA   GLY  89          2HA       GLY  89  -1.183   5.664  -9.902
  707   2HA   GLY  89          1HA       GLY  89  -1.492   5.569  -8.180
  708    H    LEU  90           H        LEU  90   1.317   4.725  -7.625
  709    HA   LEU  90           HA       LEU  90   3.059   6.760  -8.556
  710   1HB   LEU  90          2HB       LEU  90   1.314   7.793  -6.814
  711   2HB   LEU  90          1HB       LEU  90   2.479   7.157  -5.670
  712    HG   LEU  90           HG       LEU  90   4.020   8.539  -7.547
  713   1HD1  LEU  90          1HD1      LEU  90   1.979  10.500  -6.672
  714   2HD1  LEU  90          2HD1      LEU  90   1.596   9.487  -8.064
  715   3HD1  LEU  90          3HD1      LEU  90   3.032  10.511  -8.086
  716   1HD2  LEU  90          1HD2      LEU  90   3.892   8.337  -4.881
  717   2HD2  LEU  90          2HD2      LEU  90   3.204   9.947  -5.082
  718   3HD2  LEU  90          3HD2      LEU  90   4.814   9.592  -5.710
  719    H    ARG  91           H        ARG  91   4.998   6.935  -6.895
  720    HA   ARG  91           HA       ARG  91   5.790   4.176  -6.357
  721   1HB   ARG  91          2HB       ARG  91   7.221   6.727  -6.902
  722   2HB   ARG  91          1HB       ARG  91   8.040   5.538  -5.902
  723   1HG   ARG  91          2HG       ARG  91   8.267   4.046  -7.619
  724   2HG   ARG  91          1HG       ARG  91   6.852   4.657  -8.480
  725   1HD   ARG  91          2HD       ARG  91   8.394   6.838  -8.587
  726   2HD   ARG  91          1HD       ARG  91   9.656   5.610  -8.503
  727    HE   ARG  91           HE       ARG  91   7.884   4.774 -10.448
  728   1HH1  ARG  91          2HH1      ARG  91   9.964   7.522  -9.908
  729   2HH1  ARG  91          1HH1      ARG  91  10.230   7.812 -11.594
  730   1HH2  ARG  91          1HH2      ARG  91   8.232   5.151 -12.667
  731   2HH2  ARG  91          2HH2      ARG  91   9.246   6.465 -13.161
  732    H    LEU  92           H        LEU  92   6.313   3.410  -4.368
  733    HA   LEU  92           HA       LEU  92   5.204   4.366  -2.051
  734   1HB   LEU  92          2HB       LEU  92   7.211   2.416  -2.767
  735   2HB   LEU  92          1HB       LEU  92   7.528   3.133  -1.201
  736    HG   LEU  92           HG       LEU  92   6.243   1.062  -1.013
  737   1HD1  LEU  92          1HD1      LEU  92   4.909   3.622  -0.209
  738   2HD1  LEU  92          2HD1      LEU  92   5.899   2.541   0.769
  739   3HD1  LEU  92          3HD1      LEU  92   4.285   2.044   0.269
  740   1HD2  LEU  92          1HD2      LEU  92   4.652   2.298  -3.103
  741   2HD2  LEU  92          2HD2      LEU  92   3.675   1.697  -1.765
  742   3HD2  LEU  92          3HD2      LEU  92   4.762   0.611  -2.611
  743    H    ALA  93           H        ALA  93   5.683   5.944  -0.581
  744    HA   ALA  93           HA       ALA  93   8.318   7.246  -0.838
  745   1HB   ALA  93          1HB       ALA  93   7.329   9.394  -0.435
  746   2HB   ALA  93          2HB       ALA  93   5.742   8.666  -0.193
  747   3HB   ALA  93          3HB       ALA  93   6.496   8.624  -1.785
  748    H    ALA  94           H        ALA  94   5.640   7.737   1.454
  749    HA   ALA  94           HA       ALA  94   7.407   6.818   3.619
  750   1HB   ALA  94          1HB       ALA  94   6.566   9.504   3.122
  751   2HB   ALA  94          2HB       ALA  94   7.609   8.886   4.402
  752   3HB   ALA  94          3HB       ALA  94   5.863   8.946   4.640
  753    HA   PRO  95           HA       PRO  95   3.841   4.897   5.381
  754   1HB   PRO  95          2HB       PRO  95   3.937   5.468   8.019
  755   2HB   PRO  95          1HB       PRO  95   5.111   4.402   7.242
  756   1HG   PRO  95          2HG       PRO  95   5.382   7.268   8.031
  757   2HG   PRO  95          1HG       PRO  95   6.568   5.956   8.144
  758   1HD   PRO  95          2HD       PRO  95   6.559   7.852   6.163
  759   2HD   PRO  95          1HD       PRO  95   7.253   6.230   5.980
  760    H    CYS  96           H        CYS  96   1.689   5.227   5.734
  761    HA   CYS  96           HA       CYS  96   0.575   7.745   5.296
  762   1HB   CYS  96          2HB       CYS  96  -1.559   6.733   5.801
  763   2HB   CYS  96          1HB       CYS  96  -0.582   5.579   4.902
  764    HG   CYS  96           HG       CYS  96  -0.429   4.097   6.917
  765    H    ARG  97           H        ARG  97  -0.788   9.028   6.722
  766    HA   ARG  97           HA       ARG  97  -0.044   8.849   9.558
  767   1HB   ARG  97          2HB       ARG  97   0.605  10.972   7.676
  768   2HB   ARG  97          1HB       ARG  97  -0.291  11.575   9.064
  769   1HG   ARG  97          2HG       ARG  97   1.449  10.165  10.417
  770   2HG   ARG  97          1HG       ARG  97   2.408  10.324   8.944
  771   1HD   ARG  97          2HD       ARG  97   2.027  12.799   9.076
  772   2HD   ARG  97          1HD       ARG  97   1.297  12.538  10.659
  773    HE   ARG  97           HE       ARG  97   3.392  12.229  11.541
  774   1HH1  ARG  97          2HH1      ARG  97   3.589  12.090   8.060
  775   2HH1  ARG  97          1HH1      ARG  97   5.320  12.093   8.033
  776   1HH2  ARG  97          1HH2      ARG  97   5.668  12.235  11.507
  777   2HH2  ARG  97          2HH2      ARG  97   6.501  12.176   9.991
  778    H    LYS  98           H        LYS  98  -1.662   9.219  10.975
  779    HA   LYS  98           HA       LYS  98  -4.274   9.974   9.843
  780   1HB   LYS  98          2HB       LYS  98  -3.628   7.679  11.181
  781   2HB   LYS  98          1HB       LYS  98  -4.245   8.682  12.487
  782   1HG   LYS  98          2HG       LYS  98  -6.200   9.108  10.769
  783   2HG   LYS  98          1HG       LYS  98  -5.648   7.559  10.127
  784   1HD   LYS  98          2HD       LYS  98  -7.220   6.878  11.669
  785   2HD   LYS  98          1HD       LYS  98  -5.742   6.819  12.631
  786   1HE   LYS  98          2HE       LYS  98  -6.515   9.386  13.027
  787   2HE   LYS  98          1HE       LYS  98  -8.078   8.592  12.851
  788   1HZ   LYS  98          1HZ       LYS  98  -6.043   7.443  14.641
  789   2HZ   LYS  98          2HZ       LYS  98  -7.727   7.295  14.703
  790   3HZ   LYS  98          3HZ       LYS  98  -6.989   8.743  15.168
  791    H    HIS  99           H        HIS  99  -5.775  10.830  11.706
  792    HA   HIS  99           HA       HIS  99  -4.276  12.960  13.081
  793   1HB   HIS  99          2HB       HIS  99  -6.337  13.206  11.256
  794   2HB   HIS  99          1HB       HIS  99  -7.158  13.385  12.803
  795    HD1  HIS  99           HD1      HIS  99  -7.581  15.871  12.697
  796    HD2  HIS  99           HD2      HIS  99  -3.589  14.883  12.101
  797    HE1  HIS  99           HE1      HIS  99  -6.334  18.055  12.745
  798    HE2  HIS  99           HE2      HIS  99  -3.933  17.439  12.294
  799    H    GLU 100           HN       GLU 100  -6.191  13.878  14.800
  800    HA   GLU 100           HA       GLU 100  -7.073  13.551  16.870
  801   1HB   GLU 100          2HB       GLU 100  -8.238  11.628  15.257
  802   2HB   GLU 100          1HB       GLU 100  -7.643  10.695  16.622
  803   1HG   GLU 100          2HG       GLU 100  -9.530  11.252  17.644
  804   2HG   GLU 100          1HG       GLU 100  -8.829  12.861  17.826