NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
618896 5y0j 36107 cing 1-original 5 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HT1      ALA   1 -17.031   1.516  -0.983
    2    H2   ALA   1           HT2      ALA   1 -17.238   2.710   0.194
    3    H3   ALA   1           HT3      ALA   1 -17.098   1.089   0.650
    4    HA   ALA   1           HA       ALA   1 -14.981   2.692  -0.654
    5    HB1  ALA   1           HB1      ALA   1 -15.182   1.743   2.202
    6    HB2  ALA   1           HB2      ALA   1 -15.424   3.401   1.655
    7    HB3  ALA   1           HB3      ALA   1 -13.843   2.641   1.490
    8    H    PHE   2           HN       PHE   2 -13.623   1.466  -1.743
    9    HA   PHE   2           HA       PHE   2 -13.327  -1.366  -1.010
   10    HB2  PHE   2           HB2      PHE   2 -13.899  -1.074  -3.334
   11    HB3  PHE   2           HB1      PHE   2 -12.661   0.157  -3.542
   12    HD1  PHE   2           HD1      PHE   2 -10.514  -0.406  -4.192
   13    HD2  PHE   2           HD2      PHE   2 -13.176  -3.443  -2.879
   14    HE1  PHE   2           HE1      PHE   2  -8.923  -2.109  -4.944
   15    HE2  PHE   2           HE2      PHE   2 -11.592  -5.163  -3.628
   16    HZ   PHE   2           HZ       PHE   2  -9.454  -4.502  -4.665
   17    H    CYS   3           HN       CYS   3 -11.393  -2.114  -0.268
   18    HA   CYS   3           HA       CYS   3  -9.245  -0.117  -0.017
   19    HB2  CYS   3           HB2      CYS   3  -9.922  -2.249   2.014
   20    HB3  CYS   3           HB1      CYS   3  -8.752  -0.945   2.192
   21    H    TRP   4           HN       TRP   4  -7.106  -0.875  -0.127
   22    HA   TRP   4           HA       TRP   4  -6.630  -3.655  -0.756
   23    HB2  TRP   4           HB2      TRP   4  -5.724  -3.280  -2.970
   24    HB3  TRP   4           HB1      TRP   4  -7.385  -2.714  -2.923
   25    HD1  TRP   4           HD1      TRP   4  -3.821  -1.517  -3.459
   26    HE1  TRP   4           HE1      TRP   4  -3.870   0.917  -4.297
   27    HE3  TRP   4           HE3      TRP   4  -8.779  -0.482  -2.714
   28    HZ2  TRP   4           HZ2      TRP   4  -5.734   2.989  -4.589
   29    HZ3  TRP   4           HZ3      TRP   4  -9.611   1.755  -3.300
   30    HH2  TRP   4           HH2      TRP   4  -8.120   3.456  -4.221
   31    H    ASN   5           HN       ASN   5  -4.280  -4.006  -1.261
   32    HA   ASN   5           HA       ASN   5  -2.727  -2.403   0.605
   33    HB2  ASN   5           HB2      ASN   5  -1.033  -4.233   0.395
   34    HB3  ASN   5           HB1      ASN   5  -2.594  -4.771   0.996
   35   HD21  ASN   5          HD21      ASN   5  -3.926  -6.019  -0.367
   36   HD22  ASN   5          HD22      ASN   5  -3.274  -6.869  -1.725
   37    H    VAL   6           HN       VAL   6  -1.845  -0.673  -0.229
   38    HA   VAL   6           HA       VAL   6  -0.724  -0.678  -2.918
   39    HB   VAL   6           HB       VAL   6  -0.641   1.537  -0.865
   40   HG11  VAL   6          HG11      VAL   6  -0.200   2.986  -2.765
   41   HG12  VAL   6          HG12      VAL   6  -0.288   1.602  -3.857
   42   HG13  VAL   6          HG13      VAL   6   1.011   1.705  -2.668
   43   HG21  VAL   6          HG21      VAL   6  -2.538   2.525  -2.080
   44   HG22  VAL   6          HG22      VAL   6  -2.956   0.989  -1.323
   45   HG23  VAL   6          HG23      VAL   6  -2.654   1.064  -3.058
   46    H    CYS   7           HN       CYS   7   1.185  -1.691  -3.061
   47    HA   CYS   7           HA       CYS   7   3.053  -1.466  -0.815
   48    HB2  CYS   7           HB2      CYS   7   3.032  -3.430  -3.110
   49    HB3  CYS   7           HB1      CYS   7   4.188  -3.417  -1.782
   50    H    VAL   8           HN       VAL   8   4.337   0.191  -1.025
   51    HA   VAL   8           HA       VAL   8   5.271   0.994  -3.689
   52    HB   VAL   8           HB       VAL   8   5.444   2.473  -1.064
   53   HG11  VAL   8          HG11      VAL   8   7.240   3.154  -2.516
   54   HG12  VAL   8          HG12      VAL   8   6.022   4.431  -2.461
   55   HG13  VAL   8          HG13      VAL   8   6.116   3.361  -3.861
   56   HG21  VAL   8          HG21      VAL   8   3.582   2.866  -3.400
   57   HG22  VAL   8          HG22      VAL   8   3.698   3.928  -1.997
   58   HG23  VAL   8          HG23      VAL   8   3.143   2.265  -1.802
   59    H    TYR   9           HN       TYR   9   7.340   0.808  -4.263
   60    HA   TYR   9           HA       TYR   9   9.256  -0.191  -2.310
   61    HB2  TYR   9           HB2      TYR   9   9.009  -0.292  -5.246
   62    HB3  TYR   9           HB1      TYR   9  10.642  -0.061  -4.642
   63    HD1  TYR   9           HD1      TYR   9   8.024  -2.425  -5.238
   64    HD2  TYR   9           HD2      TYR   9  11.518  -1.712  -2.920
   65    HE1  TYR   9           HE1      TYR   9   8.195  -4.832  -4.759
   66    HE2  TYR   9           HE2      TYR   9  11.700  -4.110  -2.439
   67    HH   TYR   9           HH       TYR   9   9.920  -6.465  -4.113
   68    H    ARG  10           HN       ARG  10   9.885   1.493  -1.111
   69    HA   ARG  10           HA       ARG  10  11.278   3.642  -2.535
   70    HB2  ARG  10           HB2      ARG  10  10.570   5.209  -0.800
   71    HB3  ARG  10           HB1      ARG  10   9.190   4.524  -1.627
   72    HG2  ARG  10           HG2      ARG  10   8.831   3.004   0.223
   73    HG3  ARG  10           HG1      ARG  10  10.226   3.670   1.060
   74    HD2  ARG  10           HD2      ARG  10   8.112   4.604   1.900
   75    HD3  ARG  10           HD1      ARG  10   9.160   5.834   1.202
   76    HE   ARG  10           HE       ARG  10   7.622   5.329  -0.880
   77   HH11  ARG  10          HH11      ARG  10   6.737   5.696   2.484
   78   HH12  ARG  10          HH12      ARG  10   5.162   6.334   2.133
   79   HH21  ARG  10          HH21      ARG  10   5.548   6.196  -1.350
   80   HH22  ARG  10          HH22      ARG  10   4.490   6.626  -0.040
   81    H    ASN  11           HN       ASN  11  13.278   4.043  -1.833
   82    HA   ASN  11           HA       ASN  11  15.311   3.577  -0.913
   83    HB2  ASN  11           HB2      ASN  11  13.609   3.120   1.548
   84    HB3  ASN  11           HB1      ASN  11  15.367   3.120   1.564
   85   HD21  ASN  11          HD21      ASN  11  12.505   5.042   1.288
   86   HD22  ASN  11          HD22      ASN  11  13.278   6.584   1.416
   87    H    ALA  12           HN       ALA  12  13.781   1.545  -2.245
   88    HA   ALA  12           HA       ALA  12  13.832  -0.646  -2.788
   89    HB1  ALA  12           HB1      ALA  12  16.079  -0.886  -0.792
   90    HB2  ALA  12           HB2      ALA  12  16.259  -0.489  -2.501
   91    HB3  ALA  12           HB3      ALA  12  15.641  -2.071  -2.024
   92    H    VAL  13           HN       VAL  13  12.746   0.504   0.003
   93    HA   VAL  13           HA       VAL  13  12.131  -2.040   1.290
   94    HB   VAL  13           HB       VAL  13  11.265   0.748   2.078
   95   HG11  VAL  13          HG11      VAL  13  11.235  -1.833   3.627
   96   HG12  VAL  13          HG12      VAL  13   9.830  -0.985   2.986
   97   HG13  VAL  13          HG13      VAL  13  10.798  -0.249   4.263
   98   HG21  VAL  13          HG21      VAL  13  13.029   0.681   3.760
   99   HG22  VAL  13          HG22      VAL  13  13.702   0.546   2.134
  100   HG23  VAL  13          HG23      VAL  13  13.557  -0.887   3.153
  101    H    ARG  14           HN       ARG  14  10.210  -3.035   1.099
  102    HA   ARG  14           HA       ARG  14   8.230  -1.834  -0.657
  103    HB2  ARG  14           HB2      ARG  14   9.116  -4.198  -0.968
  104    HB3  ARG  14           HB1      ARG  14   8.219  -4.629   0.484
  105    HG2  ARG  14           HG2      ARG  14   6.148  -4.000  -0.570
  106    HG3  ARG  14           HG1      ARG  14   7.030  -3.426  -1.984
  107    HD2  ARG  14           HD2      ARG  14   6.118  -5.599  -2.460
  108    HD3  ARG  14           HD1      ARG  14   7.871  -5.717  -2.348
  109    HE   ARG  14           HE       ARG  14   6.086  -6.478  -0.128
  110   HH11  ARG  14          HH11      ARG  14   8.868  -7.101  -2.176
  111   HH12  ARG  14          HH12      ARG  14   9.241  -8.614  -1.412
  112   HH21  ARG  14          HH21      ARG  14   6.583  -8.455   0.876
  113   HH22  ARG  14          HH22      ARG  14   7.942  -9.381   0.325
  114    H    VAL  15           HN       VAL  15   7.007  -0.463   0.494
  115    HA   VAL  15           HA       VAL  15   5.952  -1.389   3.074
  116    HB   VAL  15           HB       VAL  15   5.276   1.009   3.418
  117   HG11  VAL  15          HG11      VAL  15   7.278   0.073   4.444
  118   HG12  VAL  15          HG12      VAL  15   7.531   1.761   3.992
  119   HG13  VAL  15          HG13      VAL  15   8.214   0.472   3.002
  120   HG21  VAL  15          HG21      VAL  15   5.248   1.790   1.135
  121   HG22  VAL  15          HG22      VAL  15   6.965   1.434   0.956
  122   HG23  VAL  15          HG23      VAL  15   6.440   2.711   2.051
  123    H    CYS  16           HN       CYS  16   4.065  -2.344   2.937
  124    HA   CYS  16           HA       CYS  16   2.193  -1.582   0.836
  125    HB2  CYS  16           HB2      CYS  16   2.084  -3.854   2.830
  126    HB3  CYS  16           HB1      CYS  16   0.925  -3.578   1.533
  127    H    HIS  17           HN       HIS  17   0.659  -0.184   1.182
  128    HA   HIS  17           HA       HIS  17  -0.181   0.368   3.956
  129    HB2  HIS  17           HB2      HIS  17  -0.876   2.155   1.654
  130    HB3  HIS  17           HB1      HIS  17  -0.678   2.566   3.348
  131    HD1  HIS  17           HD1      HIS  17   0.755   3.527   0.444
  132    HD2  HIS  17           HD2      HIS  17   2.419   1.811   3.846
  133    HE1  HIS  17           HE1      HIS  17   3.185   4.156   0.402
  134    HE2  HIS  17           HE2      HIS  17   4.112   3.291   2.577
  135    H    ARG  18           HN       ARG  18  -2.348   0.208   4.480
  136    HA   ARG  18           HA       ARG  18  -4.065  -0.954   2.422
  137    HB2  ARG  18           HB2      ARG  18  -3.984  -2.123   4.566
  138    HB3  ARG  18           HB1      ARG  18  -4.487  -0.661   5.402
  139    HG2  ARG  18           HG2      ARG  18  -6.649  -0.750   4.440
  140    HG3  ARG  18           HG1      ARG  18  -6.162  -2.014   3.309
  141    HD2  ARG  18           HD2      ARG  18  -5.933  -3.602   5.062
  142    HD3  ARG  18           HD1      ARG  18  -6.121  -2.357   6.296
  143    HE   ARG  18           HE       ARG  18  -8.453  -2.142   5.100
  144   HH11  ARG  18          HH11      ARG  18  -6.700  -5.069   5.896
  145   HH12  ARG  18          HH12      ARG  18  -8.139  -6.002   6.166
  146   HH21  ARG  18          HH21      ARG  18 -10.338  -3.364   5.457
  147   HH22  ARG  18          HH22      ARG  18 -10.201  -5.038   5.901
  148    H    ARG  19           HN       ARG  19  -4.834   0.640   1.169
  149    HA   ARG  19           HA       ARG  19  -6.008   2.979   2.521
  150    HB2  ARG  19           HB2      ARG  19  -5.234   4.359   0.869
  151    HB3  ARG  19           HB1      ARG  19  -4.001   3.114   0.770
  152    HG2  ARG  19           HG2      ARG  19  -4.465   3.094  -1.407
  153    HG3  ARG  19           HG1      ARG  19  -5.905   2.175  -0.959
  154    HD2  ARG  19           HD2      ARG  19  -6.614   3.967  -2.359
  155    HD3  ARG  19           HD1      ARG  19  -7.106   4.362  -0.710
  156    HE   ARG  19           HE       ARG  19  -4.568   5.453  -1.652
  157   HH11  ARG  19          HH11      ARG  19  -7.963   6.004  -0.942
  158   HH12  ARG  19          HH12      ARG  19  -7.803   7.733  -0.945
  159   HH21  ARG  19          HH21      ARG  19  -4.372   7.726  -1.649
  160   HH22  ARG  19          HH22      ARG  19  -5.771   8.708  -1.344
  161    H    CYS  20           HN       CYS  20  -7.922   3.884   1.495
  162    HA   CYS  20           HA       CYS  20  -9.492   1.884   0.017
  163    HB2  CYS  20           HB2      CYS  20 -10.559   3.700   2.184
  164    HB3  CYS  20           HB1      CYS  20 -11.447   2.440   1.335
  165    H    ASN  21           HN       ASN  21 -11.161   2.782  -1.340
  166    HA   ASN  21           HA       ASN  21 -10.491   5.512  -2.204
  167    HB2  ASN  21           HB2      ASN  21 -11.323   4.946  -4.377
  168    HB3  ASN  21           HB1      ASN  21 -10.260   3.639  -3.870
  169   HD21  ASN  21          HD21      ASN  21 -12.357   3.608  -5.846
  170   HD22  ASN  21          HD22      ASN  21 -13.483   2.396  -5.349
  Start of MODEL    2
    1    H1   ALA   1           HT1      ALA   1 -16.684  -0.226   1.622
    2    H2   ALA   1           HT2      ALA   1 -17.030   0.315   0.059
    3    H3   ALA   1           HT3      ALA   1 -17.260   1.345   1.381
    4    HA   ALA   1           HA       ALA   1 -15.264   1.912   0.156
    5    HB1  ALA   1           HB1      ALA   1 -13.747   1.986   2.050
    6    HB2  ALA   1           HB2      ALA   1 -14.697   0.756   2.885
    7    HB3  ALA   1           HB3      ALA   1 -15.393   2.345   2.569
    8    H    PHE   2           HN       PHE   2 -13.982   1.079  -1.324
    9    HA   PHE   2           HA       PHE   2 -13.231  -1.735  -1.184
   10    HB2  PHE   2           HB2      PHE   2 -14.083  -0.815  -3.305
   11    HB3  PHE   2           HB1      PHE   2 -12.761   0.341  -3.336
   12    HD1  PHE   2           HD1      PHE   2 -10.507  -0.371  -3.846
   13    HD2  PHE   2           HD2      PHE   2 -13.756  -3.106  -3.881
   14    HE1  PHE   2           HE1      PHE   2  -9.135  -1.968  -5.099
   15    HE2  PHE   2           HE2      PHE   2 -12.393  -4.713  -5.137
   16    HZ   PHE   2           HZ       PHE   2 -10.075  -4.154  -5.751
   17    H    CYS   3           HN       CYS   3 -11.331  -2.373  -0.385
   18    HA   CYS   3           HA       CYS   3  -9.246  -0.325  -0.006
   19    HB2  CYS   3           HB2      CYS   3  -9.838  -2.674   1.803
   20    HB3  CYS   3           HB1      CYS   3  -8.665  -1.395   2.091
   21    H    TRP   4           HN       TRP   4  -7.159  -0.852  -0.493
   22    HA   TRP   4           HA       TRP   4  -6.504  -3.635  -1.053
   23    HB2  TRP   4           HB2      TRP   4  -5.560  -3.204  -3.214
   24    HB3  TRP   4           HB1      TRP   4  -7.206  -2.593  -3.225
   25    HD1  TRP   4           HD1      TRP   4  -3.565  -1.361  -3.210
   26    HE1  TRP   4           HE1      TRP   4  -3.522   1.049  -4.110
   27    HE3  TRP   4           HE3      TRP   4  -8.587  -0.509  -3.508
   28    HZ2  TRP   4           HZ2      TRP   4  -5.355   3.042  -4.836
   29    HZ3  TRP   4           HZ3      TRP   4  -9.360   1.678  -4.320
   30    HH2  TRP   4           HH2      TRP   4  -7.781   3.421  -4.971
   31    H    ASN   5           HN       ASN   5  -4.139  -3.926  -1.354
   32    HA   ASN   5           HA       ASN   5  -2.750  -2.313   0.612
   33    HB2  ASN   5           HB2      ASN   5  -0.970  -4.011   0.450
   34    HB3  ASN   5           HB1      ASN   5  -2.536  -4.736   0.778
   35   HD21  ASN   5          HD21      ASN   5  -0.113  -5.888  -0.359
   36   HD22  ASN   5          HD22      ASN   5  -0.567  -6.542  -1.894
   37    H    VAL   6           HN       VAL   6  -1.826  -0.507  -0.026
   38    HA   VAL   6           HA       VAL   6  -0.745  -0.230  -2.713
   39    HB   VAL   6           HB       VAL   6  -0.672   1.756  -0.434
   40   HG11  VAL   6          HG11      VAL   6  -0.262   3.392  -2.223
   41   HG12  VAL   6          HG12      VAL   6  -0.220   2.077  -3.397
   42   HG13  VAL   6          HG13      VAL   6   1.006   2.168  -2.134
   43   HG21  VAL   6          HG21      VAL   6  -2.981   1.205  -1.028
   44   HG22  VAL   6          HG22      VAL   6  -2.633   1.567  -2.719
   45   HG23  VAL   6          HG23      VAL   6  -2.568   2.850  -1.511
   46    H    CYS   7           HN       CYS   7   1.145  -1.235  -2.986
   47    HA   CYS   7           HA       CYS   7   3.087  -1.187  -0.786
   48    HB2  CYS   7           HB2      CYS   7   2.896  -3.057  -3.152
   49    HB3  CYS   7           HB1      CYS   7   4.109  -3.142  -1.878
   50    H    VAL   8           HN       VAL   8   4.504   0.371  -0.979
   51    HA   VAL   8           HA       VAL   8   5.443   1.123  -3.669
   52    HB   VAL   8           HB       VAL   8   5.728   2.678  -1.099
   53   HG11  VAL   8          HG11      VAL   8   6.242   3.469  -3.958
   54   HG12  VAL   8          HG12      VAL   8   7.457   3.221  -2.702
   55   HG13  VAL   8          HG13      VAL   8   6.314   4.557  -2.572
   56   HG21  VAL   8          HG21      VAL   8   3.383   2.524  -1.696
   57   HG22  VAL   8          HG22      VAL   8   3.748   3.045  -3.342
   58   HG23  VAL   8          HG23      VAL   8   3.978   4.159  -1.993
   59    H    TYR   9           HN       TYR   9   7.496   0.761  -4.217
   60    HA   TYR   9           HA       TYR   9   9.331  -0.315  -2.223
   61    HB2  TYR   9           HB2      TYR   9   8.929  -0.897  -4.912
   62    HB3  TYR   9           HB1      TYR   9  10.410   0.047  -4.914
   63    HD1  TYR   9           HD1      TYR   9   8.816  -2.911  -3.310
   64    HD2  TYR   9           HD2      TYR   9  12.438  -0.962  -4.394
   65    HE1  TYR   9           HE1      TYR   9  10.087  -4.906  -2.632
   66    HE2  TYR   9           HE2      TYR   9  13.718  -2.951  -3.720
   67    HH   TYR   9           HH       TYR   9  13.396  -4.908  -2.146
   68    H    ARG  10           HN       ARG  10  10.130   1.309  -1.015
   69    HA   ARG  10           HA       ARG  10  11.219   3.640  -2.452
   70    HB2  ARG  10           HB2      ARG  10   9.076   4.118  -1.228
   71    HB3  ARG  10           HB1      ARG  10   9.906   3.718   0.268
   72    HG2  ARG  10           HG2      ARG  10  11.470   5.542  -0.092
   73    HG3  ARG  10           HG1      ARG  10  10.682   5.923  -1.623
   74    HD2  ARG  10           HD2      ARG  10   8.618   6.444  -0.454
   75    HD3  ARG  10           HD1      ARG  10   9.362   6.012   1.084
   76    HE   ARG  10           HE       ARG  10  11.004   7.897   0.437
   77   HH11  ARG  10          HH11      ARG  10   7.560   7.865  -0.206
   78   HH12  ARG  10          HH12      ARG  10   7.414   9.592  -0.183
   79   HH21  ARG  10          HH21      ARG  10  10.814  10.165   0.455
   80   HH22  ARG  10          HH22      ARG  10   9.266  10.901   0.189
   81    H    ASN  11           HN       ASN  11  13.324   3.801  -2.195
   82    HA   ASN  11           HA       ASN  11  15.440   3.392  -1.499
   83    HB2  ASN  11           HB2      ASN  11  14.160   3.384   1.248
   84    HB3  ASN  11           HB1      ASN  11  15.896   3.403   0.951
   85   HD21  ASN  11          HD21      ASN  11  12.979   5.228   0.973
   86   HD22  ASN  11          HD22      ASN  11  13.690   6.775   0.672
   87    H    ALA  12           HN       ALA  12  13.856   1.296  -2.377
   88    HA   ALA  12           HA       ALA  12  13.974  -0.926  -2.725
   89    HB1  ALA  12           HB1      ALA  12  16.391  -0.850  -0.923
   90    HB2  ALA  12           HB2      ALA  12  16.397  -0.568  -2.665
   91    HB3  ALA  12           HB3      ALA  12  15.948  -2.150  -2.028
   92    H    VAL  13           HN       VAL  13  12.491   0.181  -0.369
   93    HA   VAL  13           HA       VAL  13  12.150  -2.440   0.932
   94    HB   VAL  13           HB       VAL  13  12.905  -0.497   2.431
   95   HG11  VAL  13          HG11      VAL  13  11.128   0.930   3.318
   96   HG12  VAL  13          HG12      VAL  13  10.025   0.289   2.102
   97   HG13  VAL  13          HG13      VAL  13  11.431   1.229   1.608
   98   HG21  VAL  13          HG21      VAL  13  10.441  -2.068   3.136
   99   HG22  VAL  13          HG22      VAL  13  11.504  -1.266   4.292
  100   HG23  VAL  13          HG23      VAL  13  12.112  -2.602   3.315
  101    H    ARG  14           HN       ARG  14  10.024  -3.152   1.227
  102    HA   ARG  14           HA       ARG  14   8.102  -1.842  -0.558
  103    HB2  ARG  14           HB2      ARG  14   8.662  -4.143  -1.145
  104    HB3  ARG  14           HB1      ARG  14   8.186  -4.679   0.460
  105    HG2  ARG  14           HG2      ARG  14   5.909  -3.975   0.041
  106    HG3  ARG  14           HG1      ARG  14   6.363  -3.415  -1.570
  107    HD2  ARG  14           HD2      ARG  14   6.617  -6.246  -0.582
  108    HD3  ARG  14           HD1      ARG  14   5.293  -5.640  -1.573
  109    HE   ARG  14           HE       ARG  14   7.196  -5.055  -3.200
  110   HH11  ARG  14          HH11      ARG  14   7.114  -7.871  -1.116
  111   HH12  ARG  14          HH12      ARG  14   8.112  -8.823  -2.164
  112   HH21  ARG  14          HH21      ARG  14   8.479  -6.315  -4.586
  113   HH22  ARG  14          HH22      ARG  14   8.896  -7.941  -4.139
  114    H    VAL  15           HN       VAL  15   7.043  -0.401   0.691
  115    HA   VAL  15           HA       VAL  15   5.876  -1.365   3.203
  116    HB   VAL  15           HB       VAL  15   5.248   1.041   3.575
  117   HG11  VAL  15          HG11      VAL  15   8.179   0.418   3.242
  118   HG12  VAL  15          HG12      VAL  15   7.188   0.059   4.656
  119   HG13  VAL  15          HG13      VAL  15   7.517   1.734   4.212
  120   HG21  VAL  15          HG21      VAL  15   5.294   1.865   1.314
  121   HG22  VAL  15          HG22      VAL  15   7.007   1.470   1.165
  122   HG23  VAL  15          HG23      VAL  15   6.488   2.740   2.272
  123    H    CYS  16           HN       CYS  16   3.859  -2.043   3.203
  124    HA   CYS  16           HA       CYS  16   2.121  -1.237   0.978
  125    HB2  CYS  16           HB2      CYS  16   1.925  -3.653   2.783
  126    HB3  CYS  16           HB1      CYS  16   0.835  -3.268   1.454
  127    H    HIS  17           HN       HIS  17   0.650   0.196   1.406
  128    HA   HIS  17           HA       HIS  17  -0.380   0.446   4.164
  129    HB2  HIS  17           HB2      HIS  17  -0.992   2.590   2.218
  130    HB3  HIS  17           HB1      HIS  17  -0.534   2.712   3.908
  131    HD1  HIS  17           HD1      HIS  17   0.627   3.679   0.747
  132    HD2  HIS  17           HD2      HIS  17   2.477   2.036   4.082
  133    HE1  HIS  17           HE1      HIS  17   3.067   4.229   0.508
  134    HE2  HIS  17           HE2      HIS  17   4.100   3.467   2.676
  135    H    ARG  18           HN       ARG  18  -2.552   0.081   4.486
  136    HA   ARG  18           HA       ARG  18  -4.021  -0.835   2.146
  137    HB2  ARG  18           HB2      ARG  18  -3.956  -2.150   4.304
  138    HB3  ARG  18           HB1      ARG  18  -4.952  -0.886   5.016
  139    HG2  ARG  18           HG2      ARG  18  -6.680  -1.313   3.337
  140    HG3  ARG  18           HG1      ARG  18  -5.687  -2.599   2.654
  141    HD2  ARG  18           HD2      ARG  18  -5.748  -3.705   4.906
  142    HD3  ARG  18           HD1      ARG  18  -6.937  -2.497   5.391
  143    HE   ARG  18           HE       ARG  18  -7.369  -4.354   3.136
  144   HH11  ARG  18          HH11      ARG  18  -8.523  -2.733   6.029
  145   HH12  ARG  18          HH12      ARG  18 -10.123  -3.393   5.905
  146   HH21  ARG  18          HH21      ARG  18  -9.475  -5.215   2.988
  147   HH22  ARG  18          HH22      ARG  18 -10.661  -4.794   4.183
  148    H    ARG  19           HN       ARG  19  -4.820   0.826   1.022
  149    HA   ARG  19           HA       ARG  19  -6.190   2.976   2.480
  150    HB2  ARG  19           HB2      ARG  19  -5.768   4.402   0.694
  151    HB3  ARG  19           HB1      ARG  19  -4.332   3.392   0.697
  152    HG2  ARG  19           HG2      ARG  19  -4.754   3.227  -1.496
  153    HG3  ARG  19           HG1      ARG  19  -5.912   1.992  -0.993
  154    HD2  ARG  19           HD2      ARG  19  -7.040   3.461  -2.485
  155    HD3  ARG  19           HD1      ARG  19  -7.644   3.799  -0.859
  156    HE   ARG  19           HE       ARG  19  -5.451   5.488  -1.611
  157   HH11  ARG  19          HH11      ARG  19  -8.920   5.086  -1.842
  158   HH12  ARG  19          HH12      ARG  19  -9.221   6.762  -2.156
  159   HH21  ARG  19          HH21      ARG  19  -5.857   7.700  -2.015
  160   HH22  ARG  19          HH22      ARG  19  -7.486   8.246  -2.255
  161    H    CYS  20           HN       CYS  20  -8.207   3.803   1.440
  162    HA   CYS  20           HA       CYS  20  -9.754   1.661   0.161
  163    HB2  CYS  20           HB2      CYS  20 -10.651   3.226   2.582
  164    HB3  CYS  20           HB1      CYS  20 -11.597   2.010   1.733
  165    H    ASN  21           HN       ASN  21 -11.482   2.388  -1.124
  166    HA   ASN  21           HA       ASN  21 -11.865   5.303  -1.218
  167    HB2  ASN  21           HB2      ASN  21 -12.117   5.278  -3.600
  168    HB3  ASN  21           HB1      ASN  21 -10.605   4.470  -3.222
  169   HD21  ASN  21          HD21      ASN  21 -10.523   2.191  -3.400
  170   HD22  ASN  21          HD22      ASN  21 -11.587   1.358  -4.473
  Start of MODEL    3
    1    H1   ALA   1           HT1      ALA   1 -17.373   0.846   2.275
    2    H2   ALA   1           HT2      ALA   1 -16.576  -0.583   2.687
    3    H3   ALA   1           HT3      ALA   1 -17.170  -0.368   1.122
    4    HA   ALA   1           HA       ALA   1 -15.631   1.414   0.724
    5    HB1  ALA   1           HB1      ALA   1 -15.495   2.227   3.027
    6    HB2  ALA   1           HB2      ALA   1 -13.893   1.931   2.348
    7    HB3  ALA   1           HB3      ALA   1 -14.596   0.781   3.485
    8    H    PHE   2           HN       PHE   2 -14.595   0.388  -0.826
    9    HA   PHE   2           HA       PHE   2 -13.405  -2.208  -0.450
   10    HB2  PHE   2           HB2      PHE   2 -14.432  -1.675  -2.594
   11    HB3  PHE   2           HB1      PHE   2 -13.370  -0.288  -2.792
   12    HD1  PHE   2           HD1      PHE   2 -11.099  -0.557  -3.511
   13    HD2  PHE   2           HD2      PHE   2 -13.609  -3.925  -2.882
   14    HE1  PHE   2           HE1      PHE   2  -9.482  -1.979  -4.688
   15    HE2  PHE   2           HE2      PHE   2 -12.008  -5.353  -4.062
   16    HZ   PHE   2           HZ       PHE   2  -9.924  -4.339  -5.019
   17    H    CYS   3           HN       CYS   3 -11.300  -2.644  -0.045
   18    HA   CYS   3           HA       CYS   3  -9.418  -0.393  -0.066
   19    HB2  CYS   3           HB2      CYS   3  -9.655  -2.425   2.160
   20    HB3  CYS   3           HB1      CYS   3  -8.504  -1.097   2.081
   21    H    TRP   4           HN       TRP   4  -7.211  -0.977  -0.218
   22    HA   TRP   4           HA       TRP   4  -6.576  -3.712  -0.981
   23    HB2  TRP   4           HB2      TRP   4  -5.621  -3.044  -3.144
   24    HB3  TRP   4           HB1      TRP   4  -7.343  -2.691  -3.085
   25    HD1  TRP   4           HD1      TRP   4  -3.930  -0.941  -3.141
   26    HE1  TRP   4           HE1      TRP   4  -4.286   1.528  -3.802
   27    HE3  TRP   4           HE3      TRP   4  -9.043  -0.777  -3.081
   28    HZ2  TRP   4           HZ2      TRP   4  -6.385   3.271  -4.248
   29    HZ3  TRP   4           HZ3      TRP   4 -10.153   1.349  -3.650
   30    HH2  TRP   4           HH2      TRP   4  -8.853   3.336  -4.224
   31    H    ASN   5           HN       ASN   5  -4.091  -3.637  -1.726
   32    HA   ASN   5           HA       ASN   5  -2.745  -2.068   0.347
   33    HB2  ASN   5           HB2      ASN   5  -0.925  -3.727   0.213
   34    HB3  ASN   5           HB1      ASN   5  -2.467  -4.459   0.627
   35   HD21  ASN   5          HD21      ASN   5  -0.063  -5.652  -0.501
   36   HD22  ASN   5          HD22      ASN   5  -0.550  -6.396  -1.983
   37    H    VAL   6           HN       VAL   6  -1.866  -0.278  -0.364
   38    HA   VAL   6           HA       VAL   6  -0.659  -0.171  -3.018
   39    HB   VAL   6           HB       VAL   6  -0.945   1.987  -0.905
   40   HG11  VAL   6          HG11      VAL   6  -0.143   3.529  -2.656
   41   HG12  VAL   6          HG12      VAL   6   0.199   2.147  -3.694
   42   HG13  VAL   6          HG13      VAL   6   1.084   2.353  -2.185
   43   HG21  VAL   6          HG21      VAL   6  -2.301   1.639  -3.582
   44   HG22  VAL   6          HG22      VAL   6  -2.536   2.986  -2.471
   45   HG23  VAL   6          HG23      VAL   6  -3.045   1.364  -2.010
   46    H    CYS   7           HN       CYS   7   1.250  -1.086  -3.152
   47    HA   CYS   7           HA       CYS   7   3.053  -1.006  -0.848
   48    HB2  CYS   7           HB2      CYS   7   3.083  -2.763  -3.304
   49    HB3  CYS   7           HB1      CYS   7   4.248  -2.845  -1.989
   50    H    VAL   8           HN       VAL   8   4.400   0.627  -0.871
   51    HA   VAL   8           HA       VAL   8   5.425   1.652  -3.419
   52    HB   VAL   8           HB       VAL   8   5.778   2.772  -0.641
   53   HG11  VAL   8          HG11      VAL   8   6.333   3.991  -3.337
   54   HG12  VAL   8          HG12      VAL   8   7.529   3.510  -2.132
   55   HG13  VAL   8          HG13      VAL   8   6.427   4.846  -1.797
   56   HG21  VAL   8          HG21      VAL   8   4.079   4.431  -1.273
   57   HG22  VAL   8          HG22      VAL   8   3.431   2.791  -1.239
   58   HG23  VAL   8          HG23      VAL   8   3.808   3.556  -2.782
   59    H    TYR   9           HN       TYR   9   7.461   1.296  -4.045
   60    HA   TYR   9           HA       TYR   9   9.273  -0.072  -2.225
   61    HB2  TYR   9           HB2      TYR   9   9.053   0.209  -5.163
   62    HB3  TYR   9           HB1      TYR   9  10.683   0.142  -4.517
   63    HD1  TYR   9           HD1      TYR   9   7.581  -1.694  -5.048
   64    HD2  TYR   9           HD2      TYR   9  11.504  -1.877  -3.413
   65    HE1  TYR   9           HE1      TYR   9   7.400  -4.140  -4.913
   66    HE2  TYR   9           HE2      TYR   9  11.337  -4.325  -3.272
   67    HH   TYR   9           HH       TYR   9   8.834  -6.094  -4.795
   68    H    ARG  10           HN       ARG  10  10.084   1.374  -0.862
   69    HA   ARG  10           HA       ARG  10  11.375   3.756  -2.021
   70    HB2  ARG  10           HB2      ARG  10   9.386   4.151  -0.490
   71    HB3  ARG  10           HB1      ARG  10  10.366   3.493   0.812
   72    HG2  ARG  10           HG2      ARG  10  12.050   5.255   0.364
   73    HG3  ARG  10           HG1      ARG  10  10.940   5.941  -0.828
   74    HD2  ARG  10           HD2      ARG  10   9.263   6.257   0.918
   75    HD3  ARG  10           HD1      ARG  10  10.373   5.580   2.109
   76    HE   ARG  10           HE       ARG  10  11.875   7.526   1.370
   77   HH11  ARG  10          HH11      ARG  10   8.378   7.650   1.502
   78   HH12  ARG  10          HH12      ARG  10   8.323   9.357   1.788
   79   HH21  ARG  10          HH21      ARG  10  11.805   9.779   1.732
   80   HH22  ARG  10          HH22      ARG  10  10.271  10.570   1.906
   81    H    ASN  11           HN       ASN  11  13.504   3.529  -2.035
   82    HA   ASN  11           HA       ASN  11  15.617   2.858  -1.531
   83    HB2  ASN  11           HB2      ASN  11  14.539   2.799   1.301
   84    HB3  ASN  11           HB1      ASN  11  16.243   2.722   0.867
   85   HD21  ASN  11          HD21      ASN  11  14.712   4.676   2.450
   86   HD22  ASN  11          HD22      ASN  11  15.021   6.208   1.711
   87    H    ALA  12           HN       ALA  12  13.865   0.961  -2.444
   88    HA   ALA  12           HA       ALA  12  13.748  -1.250  -2.877
   89    HB1  ALA  12           HB1      ALA  12  16.185  -1.275  -2.588
   90    HB2  ALA  12           HB2      ALA  12  15.422  -2.781  -2.076
   91    HB3  ALA  12           HB3      ALA  12  15.965  -1.612  -0.871
   92    H    VAL  13           HN       VAL  13  12.973   0.094   0.039
   93    HA   VAL  13           HA       VAL  13  11.999  -2.374   1.246
   94    HB   VAL  13           HB       VAL  13  11.602   0.457   2.212
   95   HG11  VAL  13          HG11      VAL  13  11.288  -2.184   3.626
   96   HG12  VAL  13          HG12      VAL  13   9.987  -1.109   3.123
   97   HG13  VAL  13          HG13      VAL  13  11.120  -0.596   4.372
   98   HG21  VAL  13          HG21      VAL  13  13.979  -0.056   2.115
   99   HG22  VAL  13          HG22      VAL  13  13.705  -1.549   3.015
  100   HG23  VAL  13          HG23      VAL  13  13.428   0.011   3.789
  101    H    ARG  14           HN       ARG  14  10.035  -3.108   0.930
  102    HA   ARG  14           HA       ARG  14   8.146  -1.553  -0.625
  103    HB2  ARG  14           HB2      ARG  14   8.763  -3.957  -1.154
  104    HB3  ARG  14           HB1      ARG  14   7.888  -4.411   0.306
  105    HG2  ARG  14           HG2      ARG  14   5.885  -3.264  -0.654
  106    HG3  ARG  14           HG1      ARG  14   6.804  -3.097  -2.151
  107    HD2  ARG  14           HD2      ARG  14   5.402  -5.047  -2.311
  108    HD3  ARG  14           HD1      ARG  14   7.087  -5.557  -2.198
  109    HE   ARG  14           HE       ARG  14   5.905  -5.469   0.374
  110   HH11  ARG  14          HH11      ARG  14   5.963  -7.387  -2.556
  111   HH12  ARG  14          HH12      ARG  14   5.538  -8.861  -1.745
  112   HH21  ARG  14          HH21      ARG  14   5.345  -7.395   1.438
  113   HH22  ARG  14          HH22      ARG  14   5.202  -8.868   0.529
  114    H    VAL  15           HN       VAL  15   7.015  -0.183   0.647
  115    HA   VAL  15           HA       VAL  15   5.867  -1.265   3.120
  116    HB   VAL  15           HB       VAL  15   5.230   1.070   3.664
  117   HG11  VAL  15          HG11      VAL  15   8.156   0.626   3.096
  118   HG12  VAL  15          HG12      VAL  15   7.283   0.127   4.543
  119   HG13  VAL  15          HG13      VAL  15   7.499   1.840   4.194
  120   HG21  VAL  15          HG21      VAL  15   6.798   1.752   1.180
  121   HG22  VAL  15          HG22      VAL  15   6.276   2.914   2.401
  122   HG23  VAL  15          HG23      VAL  15   5.077   2.030   1.457
  123    H    CYS  16           HN       CYS  16   3.901  -2.070   3.023
  124    HA   CYS  16           HA       CYS  16   2.142  -1.185   0.849
  125    HB2  CYS  16           HB2      CYS  16   1.973  -3.674   2.553
  126    HB3  CYS  16           HB1      CYS  16   0.905  -3.271   1.215
  127    H    HIS  17           HN       HIS  17   0.479   0.048   1.276
  128    HA   HIS  17           HA       HIS  17  -0.347   0.401   4.087
  129    HB2  HIS  17           HB2      HIS  17  -1.174   2.213   1.834
  130    HB3  HIS  17           HB1      HIS  17  -1.035   2.582   3.546
  131    HD1  HIS  17           HD1      HIS  17   0.341   3.820   0.769
  132    HD2  HIS  17           HD2      HIS  17   2.125   1.940   4.012
  133    HE1  HIS  17           HE1      HIS  17   2.730   4.587   0.763
  134    HE2  HIS  17           HE2      HIS  17   3.698   3.651   2.891
  135    H    ARG  18           HN       ARG  18  -2.648   0.479   4.548
  136    HA   ARG  18           HA       ARG  18  -4.266  -0.953   2.600
  137    HB2  ARG  18           HB2      ARG  18  -4.534  -1.629   4.930
  138    HB3  ARG  18           HB1      ARG  18  -4.966   0.017   5.380
  139    HG2  ARG  18           HG2      ARG  18  -7.004  -0.093   4.179
  140    HG3  ARG  18           HG1      ARG  18  -6.538  -1.602   3.395
  141    HD2  ARG  18           HD2      ARG  18  -6.616  -2.752   5.530
  142    HD3  ARG  18           HD1      ARG  18  -7.023  -1.246   6.348
  143    HE   ARG  18           HE       ARG  18  -9.075  -1.311   4.819
  144   HH11  ARG  18          HH11      ARG  18  -7.481  -4.153   6.092
  145   HH12  ARG  18          HH12      ARG  18  -8.917  -5.126   6.069
  146   HH21  ARG  18          HH21      ARG  18 -10.979  -2.599   4.800
  147   HH22  ARG  18          HH22      ARG  18 -10.902  -4.244   5.348
  148    H    ARG  19           HN       ARG  19  -4.821   0.282   0.988
  149    HA   ARG  19           HA       ARG  19  -5.677   3.036   1.465
  150    HB2  ARG  19           HB2      ARG  19  -3.938   2.791  -0.166
  151    HB3  ARG  19           HB1      ARG  19  -4.815   1.512  -0.989
  152    HG2  ARG  19           HG2      ARG  19  -4.899   3.552  -2.248
  153    HG3  ARG  19           HG1      ARG  19  -6.513   3.114  -1.684
  154    HD2  ARG  19           HD2      ARG  19  -6.030   5.517  -1.489
  155    HD3  ARG  19           HD1      ARG  19  -6.383   4.765   0.067
  156    HE   ARG  19           HE       ARG  19  -3.692   4.661  -0.045
  157   HH11  ARG  19          HH11      ARG  19  -5.968   7.279  -0.520
  158   HH12  ARG  19          HH12      ARG  19  -4.860   8.501   0.022
  159   HH21  ARG  19          HH21      ARG  19  -2.244   6.272   0.668
  160   HH22  ARG  19          HH22      ARG  19  -2.755   7.931   0.699
  161    H    CYS  20           HN       CYS  20  -7.755   3.593   1.283
  162    HA   CYS  20           HA       CYS  20  -9.608   1.625   0.120
  163    HB2  CYS  20           HB2      CYS  20 -10.121   3.547   2.400
  164    HB3  CYS  20           HB1      CYS  20 -11.272   2.380   1.754
  165    H    ASN  21           HN       ASN  21 -11.631   2.609  -0.739
  166    HA   ASN  21           HA       ASN  21 -10.958   4.880  -2.362
  167    HB2  ASN  21           HB2      ASN  21 -13.041   4.533  -3.494
  168    HB3  ASN  21           HB1      ASN  21 -12.314   2.958  -3.216
  169   HD21  ASN  21          HD21      ASN  21 -14.933   5.077  -2.466
  170   HD22  ASN  21          HD22      ASN  21 -15.897   3.925  -1.614
  Start of MODEL    4
    1    H1   ALA   1           HT1      ALA   1 -16.712   0.161   1.435
    2    H2   ALA   1           HT2      ALA   1 -16.713   1.730   2.069
    3    H3   ALA   1           HT3      ALA   1 -15.556   0.613   2.580
    4    HA   ALA   1           HA       ALA   1 -15.796   1.638  -0.178
    5    HB1  ALA   1           HB1      ALA   1 -13.809   2.351   1.975
    6    HB2  ALA   1           HB2      ALA   1 -15.096   3.395   1.372
    7    HB3  ALA   1           HB3      ALA   1 -13.774   2.918   0.305
    8    H    PHE   2           HN       PHE   2 -14.207   0.868  -1.589
    9    HA   PHE   2           HA       PHE   2 -13.161  -1.727  -0.971
   10    HB2  PHE   2           HB2      PHE   2 -13.925  -1.266  -3.233
   11    HB3  PHE   2           HB1      PHE   2 -12.775   0.054  -3.387
   12    HD1  PHE   2           HD1      PHE   2 -10.673  -0.318  -4.247
   13    HD2  PHE   2           HD2      PHE   2 -12.982  -3.614  -2.883
   14    HE1  PHE   2           HE1      PHE   2  -9.002  -1.858  -5.165
   15    HE2  PHE   2           HE2      PHE   2 -11.316  -5.166  -3.799
   16    HZ   PHE   2           HZ       PHE   2  -9.316  -4.295  -4.945
   17    H    CYS   3           HN       CYS   3 -11.264  -2.182  -0.102
   18    HA   CYS   3           HA       CYS   3  -9.186  -0.095  -0.086
   19    HB2  CYS   3           HB2      CYS   3  -9.774  -2.033   2.163
   20    HB3  CYS   3           HB1      CYS   3  -8.586  -0.735   2.175
   21    H    TRP   4           HN       TRP   4  -7.085  -0.764  -0.423
   22    HA   TRP   4           HA       TRP   4  -6.596  -3.630  -0.699
   23    HB2  TRP   4           HB2      TRP   4  -5.599  -3.379  -2.911
   24    HB3  TRP   4           HB1      TRP   4  -7.278  -2.858  -2.937
   25    HD1  TRP   4           HD1      TRP   4  -3.782  -1.656  -3.634
   26    HE1  TRP   4           HE1      TRP   4  -3.869   0.758  -4.519
   27    HE3  TRP   4           HE3      TRP   4  -8.682  -0.573  -2.622
   28    HZ2  TRP   4           HZ2      TRP   4  -5.734   2.832  -4.746
   29    HZ3  TRP   4           HZ3      TRP   4  -9.532   1.660  -3.205
   30    HH2  TRP   4           HH2      TRP   4  -8.089   3.325  -4.245
   31    H    ASN   5           HN       ASN   5  -4.285  -4.130  -0.953
   32    HA   ASN   5           HA       ASN   5  -2.685  -2.406   0.740
   33    HB2  ASN   5           HB2      ASN   5  -2.052  -5.066  -0.561
   34    HB3  ASN   5           HB1      ASN   5  -0.964  -4.204   0.518
   35   HD21  ASN   5          HD21      ASN   5  -1.515  -4.028   2.726
   36   HD22  ASN   5          HD22      ASN   5  -2.635  -5.125   3.452
   37    H    VAL   6           HN       VAL   6  -1.796  -0.689  -0.193
   38    HA   VAL   6           HA       VAL   6  -0.719  -0.866  -2.903
   39    HB   VAL   6           HB       VAL   6  -0.695   1.480  -0.993
   40   HG11  VAL   6          HG11      VAL   6   1.062   1.566  -2.694
   41   HG12  VAL   6          HG12      VAL   6  -0.157   2.815  -2.960
   42   HG13  VAL   6          HG13      VAL   6  -0.152   1.359  -3.956
   43   HG21  VAL   6          HG21      VAL   6  -2.974   0.922  -1.540
   44   HG22  VAL   6          HG22      VAL   6  -2.575   0.836  -3.254
   45   HG23  VAL   6          HG23      VAL   6  -2.508   2.382  -2.411
   46    H    CYS   7           HN       CYS   7   1.179  -1.901  -2.985
   47    HA   CYS   7           HA       CYS   7   3.134  -1.542  -0.862
   48    HB2  CYS   7           HB2      CYS   7   2.891  -3.397  -3.187
   49    HB3  CYS   7           HB1      CYS   7   4.473  -3.119  -2.482
   50    H    VAL   8           HN       VAL   8   4.361   0.162  -0.925
   51    HA   VAL   8           HA       VAL   8   5.269   1.205  -3.526
   52    HB   VAL   8           HB       VAL   8   5.234   2.517  -0.807
   53   HG11  VAL   8          HG11      VAL   8   7.170   3.315  -1.984
   54   HG12  VAL   8          HG12      VAL   8   5.934   4.574  -2.013
   55   HG13  VAL   8          HG13      VAL   8   6.218   3.585  -3.446
   56   HG21  VAL   8          HG21      VAL   8   3.029   2.363  -1.803
   57   HG22  VAL   8          HG22      VAL   8   3.633   3.077  -3.299
   58   HG23  VAL   8          HG23      VAL   8   3.587   4.034  -1.819
   59    H    TYR   9           HN       TYR   9   7.384   1.156  -4.025
   60    HA   TYR   9           HA       TYR   9   9.192  -0.050  -2.094
   61    HB2  TYR   9           HB2      TYR   9   9.127   0.199  -5.048
   62    HB3  TYR   9           HB1      TYR   9  10.712   0.205  -4.285
   63    HD1  TYR   9           HD1      TYR   9   7.653  -1.771  -4.830
   64    HD2  TYR   9           HD2      TYR   9  11.612  -1.767  -3.278
   65    HE1  TYR   9           HE1      TYR   9   7.576  -4.220  -4.638
   66    HE2  TYR   9           HE2      TYR   9  11.548  -4.214  -3.084
   67    HH   TYR   9           HH       TYR   9   9.991  -6.002  -2.945
   68    H    ARG  10           HN       ARG  10   9.778   1.460  -0.719
   69    HA   ARG  10           HA       ARG  10  10.804   4.007  -1.769
   70    HB2  ARG  10           HB2      ARG  10   8.831   4.050  -0.189
   71    HB3  ARG  10           HB1      ARG  10   9.895   3.396   1.046
   72    HG2  ARG  10           HG2      ARG  10  11.319   5.374   0.868
   73    HG3  ARG  10           HG1      ARG  10  10.240   6.019  -0.376
   74    HD2  ARG  10           HD2      ARG  10   9.396   5.342   2.437
   75    HD3  ARG  10           HD1      ARG  10   9.823   6.959   1.882
   76    HE   ARG  10           HE       ARG  10   7.894   6.142   0.141
   77   HH11  ARG  10          HH11      ARG  10   8.081   6.394   3.624
   78   HH12  ARG  10          HH12      ARG  10   6.399   6.774   3.815
   79   HH21  ARG  10          HH21      ARG  10   5.673   6.634   0.384
   80   HH22  ARG  10          HH22      ARG  10   5.034   6.934   1.968
   81    H    ASN  11           HN       ASN  11  12.943   3.938  -1.931
   82    HA   ASN  11           HA       ASN  11  15.127   3.419  -1.596
   83    HB2  ASN  11           HB2      ASN  11  14.230   3.186   1.287
   84    HB3  ASN  11           HB1      ASN  11  15.910   3.143   0.769
   85   HD21  ASN  11          HD21      ASN  11  14.455   4.999   2.507
   86   HD22  ASN  11          HD22      ASN  11  14.707   6.569   1.831
   87    H    ALA  12           HN       ALA  12  13.521   1.431  -2.536
   88    HA   ALA  12           HA       ALA  12  13.549  -0.766  -3.054
   89    HB1  ALA  12           HB1      ALA  12  15.987  -0.570  -2.957
   90    HB2  ALA  12           HB2      ALA  12  15.427  -2.160  -2.437
   91    HB3  ALA  12           HB3      ALA  12  15.944  -0.972  -1.240
   92    H    VAL  13           HN       VAL  13  12.749   0.381  -0.111
   93    HA   VAL  13           HA       VAL  13  12.172  -2.216   1.091
   94    HB   VAL  13           HB       VAL  13  11.489   0.524   2.153
   95   HG11  VAL  13          HG11      VAL  13  11.617  -2.146   3.541
   96   HG12  VAL  13          HG12      VAL  13  10.144  -1.280   3.099
   97   HG13  VAL  13          HG13      VAL  13  11.243  -0.600   4.300
   98   HG21  VAL  13          HG21      VAL  13  13.448   0.297   3.604
   99   HG22  VAL  13          HG22      VAL  13  13.904   0.308   1.901
  100   HG23  VAL  13          HG23      VAL  13  13.869  -1.212   2.795
  101    H    ARG  14           HN       ARG  14  10.277  -3.173   0.888
  102    HA   ARG  14           HA       ARG  14   8.211  -1.905  -0.672
  103    HB2  ARG  14           HB2      ARG  14   8.944  -4.216  -1.153
  104    HB3  ARG  14           HB1      ARG  14   8.381  -4.710   0.441
  105    HG2  ARG  14           HG2      ARG  14   6.108  -4.059  -0.175
  106    HG3  ARG  14           HG1      ARG  14   6.701  -3.591  -1.766
  107    HD2  ARG  14           HD2      ARG  14   5.676  -5.798  -1.833
  108    HD3  ARG  14           HD1      ARG  14   7.398  -5.888  -2.194
  109    HE   ARG  14           HE       ARG  14   7.182  -6.327   0.519
  110   HH11  ARG  14          HH11      ARG  14   5.927  -7.840  -2.378
  111   HH12  ARG  14          HH12      ARG  14   5.883  -9.429  -1.682
  112   HH21  ARG  14          HH21      ARG  14   7.118  -8.424   1.438
  113   HH22  ARG  14          HH22      ARG  14   6.560  -9.758   0.481
  114    H    VAL  15           HN       VAL  15   7.098  -0.488   0.576
  115    HA   VAL  15           HA       VAL  15   5.972  -1.503   3.092
  116    HB   VAL  15           HB       VAL  15   5.372   0.871   3.578
  117   HG11  VAL  15          HG11      VAL  15   8.297   0.323   3.089
  118   HG12  VAL  15          HG12      VAL  15   7.377  -0.131   4.523
  119   HG13  VAL  15          HG13      VAL  15   7.650   1.572   4.154
  120   HG21  VAL  15          HG21      VAL  15   6.547   2.641   2.299
  121   HG22  VAL  15          HG22      VAL  15   5.301   1.807   1.370
  122   HG23  VAL  15          HG23      VAL  15   7.004   1.426   1.104
  123    H    CYS  16           HN       CYS  16   4.021  -2.353   2.912
  124    HA   CYS  16           HA       CYS  16   2.256  -1.368   0.803
  125    HB2  CYS  16           HB2      CYS  16   2.745  -3.951   1.856
  126    HB3  CYS  16           HB1      CYS  16   1.089  -3.524   2.272
  127    H    HIS  17           HN       HIS  17   0.454  -0.292   1.170
  128    HA   HIS  17           HA       HIS  17  -0.255   0.288   3.982
  129    HB2  HIS  17           HB2      HIS  17  -0.972   2.132   1.724
  130    HB3  HIS  17           HB1      HIS  17  -0.750   2.506   3.423
  131    HD1  HIS  17           HD1      HIS  17   0.669   3.445   0.477
  132    HD2  HIS  17           HD2      HIS  17   2.337   1.785   3.902
  133    HE1  HIS  17           HE1      HIS  17   3.094   4.082   0.424
  134    HE2  HIS  17           HE2      HIS  17   4.020   3.269   2.622
  135    H    ARG  18           HN       ARG  18  -2.455   0.196   4.520
  136    HA   ARG  18           HA       ARG  18  -4.221  -0.961   2.511
  137    HB2  ARG  18           HB2      ARG  18  -4.289  -1.915   4.763
  138    HB3  ARG  18           HB1      ARG  18  -4.667  -0.336   5.440
  139    HG2  ARG  18           HG2      ARG  18  -6.691  -1.541   5.365
  140    HG3  ARG  18           HG1      ARG  18  -6.764  -0.361   4.057
  141    HD2  ARG  18           HD2      ARG  18  -7.593  -2.443   3.222
  142    HD3  ARG  18           HD1      ARG  18  -6.012  -2.158   2.495
  143    HE   ARG  18           HE       ARG  18  -5.871  -3.720   4.884
  144   HH11  ARG  18          HH11      ARG  18  -6.506  -3.884   1.453
  145   HH12  ARG  18          HH12      ARG  18  -6.018  -5.541   1.308
  146   HH21  ARG  18          HH21      ARG  18  -5.269  -5.910   4.719
  147   HH22  ARG  18          HH22      ARG  18  -5.330  -6.700   3.173
  148    H    ARG  19           HN       ARG  19  -4.820   0.607   1.091
  149    HA   ARG  19           HA       ARG  19  -5.894   3.090   2.254
  150    HB2  ARG  19           HB2      ARG  19  -4.845   4.328   0.686
  151    HB3  ARG  19           HB1      ARG  19  -3.793   2.933   0.557
  152    HG2  ARG  19           HG2      ARG  19  -4.221   3.173  -1.633
  153    HG3  ARG  19           HG1      ARG  19  -5.675   2.251  -1.240
  154    HD2  ARG  19           HD2      ARG  19  -6.149   4.255  -2.602
  155    HD3  ARG  19           HD1      ARG  19  -6.957   4.291  -1.032
  156    HE   ARG  19           HE       ARG  19  -4.506   5.616  -0.780
  157   HH11  ARG  19          HH11      ARG  19  -7.566   6.053  -2.431
  158   HH12  ARG  19          HH12      ARG  19  -7.476   7.784  -2.401
  159   HH21  ARG  19          HH21      ARG  19  -4.384   7.887  -0.749
  160   HH22  ARG  19          HH22      ARG  19  -5.657   8.829  -1.460
  161    H    CYS  20           HN       CYS  20  -7.719   4.044   1.169
  162    HA   CYS  20           HA       CYS  20  -9.374   2.070  -0.258
  163    HB2  CYS  20           HB2      CYS  20 -10.415   3.922   1.886
  164    HB3  CYS  20           HB1      CYS  20 -11.268   2.588   1.118
  165    H    ASN  21           HN       ASN  21 -11.104   3.044  -1.535
  166    HA   ASN  21           HA       ASN  21 -10.446   5.805  -2.303
  167    HB2  ASN  21           HB2      ASN  21 -11.143   5.367  -4.507
  168    HB3  ASN  21           HB1      ASN  21 -10.249   3.927  -4.045
  169   HD21  ASN  21          HD21      ASN  21 -11.356   1.995  -3.731
  170   HD22  ASN  21          HD22      ASN  21 -12.971   1.765  -4.301
  Start of MODEL    5
    1    H1   ALA   1           HT1      ALA   1 -16.992   0.407   1.038
    2    H2   ALA   1           HT2      ALA   1 -16.912   1.760   2.047
    3    H3   ALA   1           HT3      ALA   1 -15.984   0.391   2.392
    4    HA   ALA   1           HA       ALA   1 -15.675   2.113   0.009
    5    HB1  ALA   1           HB1      ALA   1 -13.593   2.853   1.026
    6    HB2  ALA   1           HB2      ALA   1 -13.915   1.853   2.444
    7    HB3  ALA   1           HB3      ALA   1 -14.962   3.223   2.076
    8    H    PHE   2           HN       PHE   2 -13.894   1.555  -1.316
    9    HA   PHE   2           HA       PHE   2 -13.247  -1.300  -1.243
   10    HB2  PHE   2           HB2      PHE   2 -14.133  -0.292  -3.350
   11    HB3  PHE   2           HB1      PHE   2 -12.719   0.752  -3.413
   12    HD1  PHE   2           HD1      PHE   2 -10.553  -0.133  -3.984
   13    HD2  PHE   2           HD2      PHE   2 -13.993  -2.623  -3.895
   14    HE1  PHE   2           HE1      PHE   2  -9.333  -1.842  -5.245
   15    HE2  PHE   2           HE2      PHE   2 -12.785  -4.346  -5.159
   16    HZ   PHE   2           HZ       PHE   2 -10.447  -3.963  -5.841
   17    H    CYS   3           HN       CYS   3 -11.499  -1.770  -0.088
   18    HA   CYS   3           HA       CYS   3  -9.248   0.129  -0.118
   19    HB2  CYS   3           HB2      CYS   3 -10.014  -1.728   2.142
   20    HB3  CYS   3           HB1      CYS   3  -8.775  -0.479   2.174
   21    H    TRP   4           HN       TRP   4  -7.209  -0.665  -0.455
   22    HA   TRP   4           HA       TRP   4  -6.814  -3.550  -0.528
   23    HB2  TRP   4           HB2      TRP   4  -5.950  -3.595  -2.771
   24    HB3  TRP   4           HB1      TRP   4  -7.556  -2.882  -2.816
   25    HD1  TRP   4           HD1      TRP   4  -3.897  -2.078  -3.485
   26    HE1  TRP   4           HE1      TRP   4  -3.752   0.170  -4.718
   27    HE3  TRP   4           HE3      TRP   4  -8.757  -0.554  -3.001
   28    HZ2  TRP   4           HZ2      TRP   4  -5.444   2.307  -5.376
   29    HZ3  TRP   4           HZ3      TRP   4  -9.407   1.619  -3.960
   30    HH2  TRP   4           HH2      TRP   4  -7.782   3.018  -5.123
   31    H    ASN   5           HN       ASN   5  -4.536  -4.128  -0.810
   32    HA   ASN   5           HA       ASN   5  -2.868  -2.344   0.736
   33    HB2  ASN   5           HB2      ASN   5  -1.251  -4.220   0.741
   34    HB3  ASN   5           HB1      ASN   5  -2.842  -4.708   1.317
   35   HD21  ASN   5          HD21      ASN   5  -0.402  -5.165  -1.052
   36   HD22  ASN   5          HD22      ASN   5  -1.182  -6.435  -1.928
   37    H    VAL   6           HN       VAL   6  -1.658  -0.865  -0.164
   38    HA   VAL   6           HA       VAL   6  -0.662  -1.273  -2.897
   39    HB   VAL   6           HB       VAL   6  -0.618   1.258  -1.245
   40   HG11  VAL   6          HG11      VAL   6  -0.072   2.365  -3.346
   41   HG12  VAL   6          HG12      VAL   6  -0.097   0.811  -4.183
   42   HG13  VAL   6          HG13      VAL   6   1.130   1.133  -2.959
   43   HG21  VAL   6          HG21      VAL   6  -2.432   2.037  -2.708
   44   HG22  VAL   6          HG22      VAL   6  -2.906   0.648  -1.730
   45   HG23  VAL   6          HG23      VAL   6  -2.512   0.432  -3.436
   46    H    CYS   7           HN       CYS   7   1.223  -2.301  -2.875
   47    HA   CYS   7           HA       CYS   7   3.155  -1.811  -0.755
   48    HB2  CYS   7           HB2      CYS   7   2.816  -3.860  -2.867
   49    HB3  CYS   7           HB1      CYS   7   4.458  -3.514  -2.352
   50    H    VAL   8           HN       VAL   8   4.463  -0.171  -0.925
   51    HA   VAL   8           HA       VAL   8   5.317   0.689  -3.618
   52    HB   VAL   8           HB       VAL   8   5.299   2.292  -1.061
   53   HG11  VAL   8          HG11      VAL   8   5.958   3.103  -3.886
   54   HG12  VAL   8          HG12      VAL   8   7.071   3.034  -2.515
   55   HG13  VAL   8          HG13      VAL   8   5.766   4.219  -2.533
   56   HG21  VAL   8          HG21      VAL   8   3.036   1.863  -1.851
   57   HG22  VAL   8          HG22      VAL   8   3.473   2.458  -3.452
   58   HG23  VAL   8          HG23      VAL   8   3.464   3.559  -2.075
   59    H    TYR   9           HN       TYR   9   7.417   0.562  -4.110
   60    HA   TYR   9           HA       TYR   9   9.303  -0.268  -2.066
   61    HB2  TYR   9           HB2      TYR   9   9.230  -0.280  -5.017
   62    HB3  TYR   9           HB1      TYR   9  10.805   0.039  -4.306
   63    HD1  TYR   9           HD1      TYR   9   8.197  -2.431  -4.850
   64    HD2  TYR   9           HD2      TYR   9  11.903  -1.677  -2.911
   65    HE1  TYR   9           HE1      TYR   9   8.487  -4.844  -4.490
   66    HE2  TYR   9           HE2      TYR   9  12.210  -4.089  -2.543
   67    HH   TYR   9           HH       TYR   9  10.393  -6.437  -4.121
   68    H    ARG  10           HN       ARG  10   9.736   1.394  -0.792
   69    HA   ARG  10           HA       ARG  10  10.584   3.924  -2.041
   70    HB2  ARG  10           HB2      ARG  10   8.476   3.948  -0.641
   71    HB3  ARG  10           HB1      ARG  10   9.477   3.544   0.745
   72    HG2  ARG  10           HG2      ARG  10  10.665   5.614   0.573
   73    HG3  ARG  10           HG1      ARG  10   9.861   5.989  -0.955
   74    HD2  ARG  10           HD2      ARG  10   8.483   5.673   1.706
   75    HD3  ARG  10           HD1      ARG  10   8.878   7.211   0.942
   76    HE   ARG  10           HE       ARG  10   7.416   5.857  -0.932
   77   HH11  ARG  10          HH11      ARG  10   6.886   6.895   2.368
   78   HH12  ARG  10          HH12      ARG  10   5.167   7.041   2.181
   79   HH21  ARG  10          HH21      ARG  10   5.150   6.050  -1.183
   80   HH22  ARG  10          HH22      ARG  10   4.185   6.567   0.161
   81    H    ASN  11           HN       ASN  11  12.687   4.242  -1.910
   82    HA   ASN  11           HA       ASN  11  14.876   4.045  -1.339
   83    HB2  ASN  11           HB2      ASN  11  13.765   3.497   1.425
   84    HB3  ASN  11           HB1      ASN  11  15.462   3.786   1.064
   85   HD21  ASN  11          HD21      ASN  11  13.601   5.255   2.769
   86   HD22  ASN  11          HD22      ASN  11  13.598   6.878   2.178
   87    H    ALA  12           HN       ALA  12  13.505   1.889  -2.436
   88    HA   ALA  12           HA       ALA  12  13.718  -0.293  -2.967
   89    HB1  ALA  12           HB1      ALA  12  16.108   0.196  -3.021
   90    HB2  ALA  12           HB2      ALA  12  15.795  -1.449  -2.468
   91    HB3  ALA  12           HB3      ALA  12  16.228  -0.195  -1.308
   92    H    VAL  13           HN       VAL  13  12.491   0.636  -0.317
   93    HA   VAL  13           HA       VAL  13  12.381  -2.037   0.923
   94    HB   VAL  13           HB       VAL  13  11.535   0.564   2.198
   95   HG11  VAL  13          HG11      VAL  13  11.966  -2.183   3.360
   96   HG12  VAL  13          HG12      VAL  13  10.411  -1.394   3.096
   97   HG13  VAL  13          HG13      VAL  13  11.545  -0.736   4.276
   98   HG21  VAL  13          HG21      VAL  13  13.944   0.593   1.808
   99   HG22  VAL  13          HG22      VAL  13  14.097  -0.974   2.600
  100   HG23  VAL  13          HG23      VAL  13  13.585   0.435   3.528
  101    H    ARG  14           HN       ARG  14  10.526  -3.112   0.778
  102    HA   ARG  14           HA       ARG  14   8.331  -1.925  -0.661
  103    HB2  ARG  14           HB2      ARG  14   9.197  -4.194  -1.182
  104    HB3  ARG  14           HB1      ARG  14   8.671  -4.728   0.410
  105    HG2  ARG  14           HG2      ARG  14   6.360  -4.177  -0.186
  106    HG3  ARG  14           HG1      ARG  14   6.921  -3.688  -1.784
  107    HD2  ARG  14           HD2      ARG  14   5.998  -5.952  -1.812
  108    HD3  ARG  14           HD1      ARG  14   7.713  -5.944  -2.220
  109    HE   ARG  14           HE       ARG  14   7.559  -6.376   0.511
  110   HH11  ARG  14          HH11      ARG  14   6.444  -7.980  -2.390
  111   HH12  ARG  14          HH12      ARG  14   6.561  -9.571  -1.708
  112   HH21  ARG  14          HH21      ARG  14   7.709  -8.457   1.419
  113   HH22  ARG  14          HH22      ARG  14   7.282  -9.845   0.471
  114    H    VAL  15           HN       VAL  15   7.032  -0.681   0.540
  115    HA   VAL  15           HA       VAL  15   6.041  -1.811   3.074
  116    HB   VAL  15           HB       VAL  15   5.342   0.541   3.628
  117   HG11  VAL  15          HG11      VAL  15   7.320  -0.468   4.624
  118   HG12  VAL  15          HG12      VAL  15   7.595   1.245   4.312
  119   HG13  VAL  15          HG13      VAL  15   8.291   0.031   3.239
  120   HG21  VAL  15          HG21      VAL  15   5.358   1.513   1.419
  121   HG22  VAL  15          HG22      VAL  15   7.090   1.202   1.262
  122   HG23  VAL  15          HG23      VAL  15   6.506   2.369   2.451
  123    H    CYS  16           HN       CYS  16   4.036  -2.562   3.019
  124    HA   CYS  16           HA       CYS  16   2.241  -1.636   0.908
  125    HB2  CYS  16           HB2      CYS  16   2.629  -4.150   2.225
  126    HB3  CYS  16           HB1      CYS  16   0.968  -3.615   2.466
  127    H    HIS  17           HN       HIS  17   0.565  -0.402   1.250
  128    HA   HIS  17           HA       HIS  17  -0.227   0.168   4.038
  129    HB2  HIS  17           HB2      HIS  17  -0.815   2.115   1.850
  130    HB3  HIS  17           HB1      HIS  17  -0.513   2.415   3.551
  131    HD1  HIS  17           HD1      HIS  17   0.953   2.896   0.364
  132    HD2  HIS  17           HD2      HIS  17   2.447   1.960   4.124
  133    HE1  HIS  17           HE1      HIS  17   3.388   3.478   0.285
  134    HE2  HIS  17           HE2      HIS  17   4.192   3.166   2.651
  135    H    ARG  18           HN       ARG  18  -2.439   0.036   4.477
  136    HA   ARG  18           HA       ARG  18  -4.090  -0.991   2.305
  137    HB2  ARG  18           HB2      ARG  18  -4.265  -2.176   4.417
  138    HB3  ARG  18           HB1      ARG  18  -4.657  -0.686   5.262
  139    HG2  ARG  18           HG2      ARG  18  -6.766  -0.527   4.121
  140    HG3  ARG  18           HG1      ARG  18  -6.361  -1.903   3.099
  141    HD2  ARG  18           HD2      ARG  18  -6.574  -2.060   6.097
  142    HD3  ARG  18           HD1      ARG  18  -7.912  -2.410   5.003
  143    HE   ARG  18           HE       ARG  18  -5.994  -4.018   4.058
  144   HH11  ARG  18          HH11      ARG  18  -7.213  -3.490   7.295
  145   HH12  ARG  18          HH12      ARG  18  -6.842  -5.095   7.841
  146   HH21  ARG  18          HH21      ARG  18  -5.526  -6.147   4.762
  147   HH22  ARG  18          HH22      ARG  18  -5.882  -6.608   6.394
  148    H    ARG  19           HN       ARG  19  -4.670   0.619   1.001
  149    HA   ARG  19           HA       ARG  19  -5.637   3.125   2.193
  150    HB2  ARG  19           HB2      ARG  19  -5.089   4.216   0.198
  151    HB3  ARG  19           HB1      ARG  19  -3.789   3.049   0.379
  152    HG2  ARG  19           HG2      ARG  19  -4.239   2.574  -1.758
  153    HG3  ARG  19           HG1      ARG  19  -5.563   1.613  -1.096
  154    HD2  ARG  19           HD2      ARG  19  -6.557   2.917  -2.764
  155    HD3  ARG  19           HD1      ARG  19  -6.951   3.754  -1.261
  156    HE   ARG  19           HE       ARG  19  -4.578   4.836  -2.279
  157   HH11  ARG  19          HH11      ARG  19  -7.990   4.708  -3.063
  158   HH12  ARG  19          HH12      ARG  19  -7.968   6.177  -3.981
  159   HH21  ARG  19          HH21      ARG  19  -4.544   6.773  -3.471
  160   HH22  ARG  19          HH22      ARG  19  -6.005   7.364  -4.201
  161    H    CYS  20           HN       CYS  20  -7.503   4.125   1.113
  162    HA   CYS  20           HA       CYS  20  -9.366   2.143   0.004
  163    HB2  CYS  20           HB2      CYS  20 -10.032   4.271   2.044
  164    HB3  CYS  20           HB1      CYS  20 -11.191   3.178   1.293
  165    H    ASN  21           HN       ASN  21 -11.060   3.077  -1.324
  166    HA   ASN  21           HA       ASN  21  -9.978   5.141  -2.990
  167    HB2  ASN  21           HB2      ASN  21 -11.948   4.775  -4.409
  168    HB3  ASN  21           HB1      ASN  21 -11.141   3.264  -4.017
  169   HD21  ASN  21          HD21      ASN  21 -13.852   3.753  -4.905
  170   HD22  ASN  21          HD22      ASN  21 -14.888   3.083  -3.696
  Start of MODEL    6
    1    H1   ALA   1           HT1      ALA   1 -17.901   1.274  -1.332
    2    H2   ALA   1           HT2      ALA   1 -17.344   1.192  -2.926
    3    H3   ALA   1           HT3      ALA   1 -17.772   2.684  -2.258
    4    HA   ALA   1           HA       ALA   1 -15.394   2.460  -2.354
    5    HB1  ALA   1           HB1      ALA   1 -16.416   2.271   0.477
    6    HB2  ALA   1           HB2      ALA   1 -16.429   3.733  -0.510
    7    HB3  ALA   1           HB3      ALA   1 -14.894   2.992  -0.050
    8    H    PHE   2           HN       PHE   2 -13.562   1.287  -2.029
    9    HA   PHE   2           HA       PHE   2 -13.706  -1.199  -0.518
   10    HB2  PHE   2           HB2      PHE   2 -12.617  -2.484  -2.324
   11    HB3  PHE   2           HB1      PHE   2 -14.206  -1.911  -2.807
   12    HD1  PHE   2           HD1      PHE   2 -10.593  -1.452  -3.231
   13    HD2  PHE   2           HD2      PHE   2 -14.473  -0.407  -4.613
   14    HE1  PHE   2           HE1      PHE   2  -9.603  -0.431  -5.231
   15    HE2  PHE   2           HE2      PHE   2 -13.495   0.608  -6.617
   16    HZ   PHE   2           HZ       PHE   2 -11.053   0.554  -6.956
   17    H    CYS   3           HN       CYS   3 -11.456  -2.106  -0.224
   18    HA   CYS   3           HA       CYS   3  -9.463   0.049  -0.253
   19    HB2  CYS   3           HB2      CYS   3  -9.903  -1.753   2.130
   20    HB3  CYS   3           HB1      CYS   3  -8.875  -0.326   2.035
   21    H    TRP   4           HN       TRP   4  -7.320  -0.622  -0.436
   22    HA   TRP   4           HA       TRP   4  -6.838  -3.489  -0.745
   23    HB2  TRP   4           HB2      TRP   4  -5.840  -3.236  -2.935
   24    HB3  TRP   4           HB1      TRP   4  -7.485  -2.623  -2.979
   25    HD1  TRP   4           HD1      TRP   4  -3.904  -1.586  -3.567
   26    HE1  TRP   4           HE1      TRP   4  -3.846   0.826  -4.446
   27    HE3  TRP   4           HE3      TRP   4  -8.771  -0.278  -2.688
   28    HZ2  TRP   4           HZ2      TRP   4  -5.610   3.002  -4.705
   29    HZ3  TRP   4           HZ3      TRP   4  -9.500   1.995  -3.274
   30    HH2  TRP   4           HH2      TRP   4  -7.952   3.602  -4.263
   31    H    ASN   5           HN       ASN   5  -4.500  -3.954  -1.061
   32    HA   ASN   5           HA       ASN   5  -2.950  -2.248   0.712
   33    HB2  ASN   5           HB2      ASN   5  -1.301  -4.108   0.680
   34    HB3  ASN   5           HB1      ASN   5  -2.900  -4.612   1.219
   35   HD21  ASN   5          HD21      ASN   5  -0.406  -5.050  -1.069
   36   HD22  ASN   5          HD22      ASN   5  -1.171  -6.285  -2.005
   37    H    VAL   6           HN       VAL   6  -1.794  -0.696  -0.075
   38    HA   VAL   6           HA       VAL   6  -0.782  -0.819  -2.820
   39    HB   VAL   6           HB       VAL   6  -0.731   1.483  -0.870
   40   HG11  VAL   6          HG11      VAL   6   0.993   1.628  -2.588
   41   HG12  VAL   6          HG12      VAL   6  -0.248   2.858  -2.834
   42   HG13  VAL   6          HG13      VAL   6  -0.231   1.409  -3.838
   43   HG21  VAL   6          HG21      VAL   6  -2.655   0.912  -3.109
   44   HG22  VAL   6          HG22      VAL   6  -2.581   2.411  -2.187
   45   HG23  VAL   6          HG23      VAL   6  -3.017   0.905  -1.384
   46    H    CYS   7           HN       CYS   7   1.145  -1.774  -2.982
   47    HA   CYS   7           HA       CYS   7   3.093  -1.468  -0.823
   48    HB2  CYS   7           HB2      CYS   7   2.668  -3.450  -2.993
   49    HB3  CYS   7           HB1      CYS   7   4.330  -3.154  -2.500
   50    H    VAL   8           HN       VAL   8   4.748  -0.124  -0.978
   51    HA   VAL   8           HA       VAL   8   5.484   0.867  -3.664
   52    HB   VAL   8           HB       VAL   8   5.599   2.411  -1.071
   53   HG11  VAL   8          HG11      VAL   8   6.256   3.241  -3.889
   54   HG12  VAL   8          HG12      VAL   8   7.381   3.091  -2.537
   55   HG13  VAL   8          HG13      VAL   8   6.138   4.343  -2.517
   56   HG21  VAL   8          HG21      VAL   8   3.302   2.133  -1.812
   57   HG22  VAL   8          HG22      VAL   8   3.735   2.721  -3.419
   58   HG23  VAL   8          HG23      VAL   8   3.822   3.805  -2.030
   59    H    TYR   9           HN       TYR   9   7.575   0.682  -4.191
   60    HA   TYR   9           HA       TYR   9   9.442  -0.331  -2.207
   61    HB2  TYR   9           HB2      TYR   9   9.128  -0.961  -4.830
   62    HB3  TYR   9           HB1      TYR   9  10.385   0.263  -4.951
   63    HD1  TYR   9           HD1      TYR   9   9.615  -2.564  -2.671
   64    HD2  TYR   9           HD2      TYR   9  12.505  -0.619  -5.091
   65    HE1  TYR   9           HE1      TYR   9  11.273  -4.271  -2.042
   66    HE2  TYR   9           HE2      TYR   9  14.174  -2.315  -4.479
   67    HH   TYR   9           HH       TYR   9  14.598  -3.911  -2.680
   68    H    ARG  10           HN       ARG  10  10.032   1.327  -0.917
   69    HA   ARG  10           HA       ARG  10  11.027   3.768  -2.234
   70    HB2  ARG  10           HB2      ARG  10   9.003   4.046  -0.763
   71    HB3  ARG  10           HB1      ARG  10   9.992   3.532   0.595
   72    HG2  ARG  10           HG2      ARG  10  11.550   5.446  -0.026
   73    HG3  ARG  10           HG1      ARG  10  10.238   6.015  -1.059
   74    HD2  ARG  10           HD2      ARG  10  10.070   5.541   1.913
   75    HD3  ARG  10           HD1      ARG  10  10.206   7.112   1.124
   76    HE   ARG  10           HE       ARG  10   7.984   6.127  -0.004
   77   HH11  ARG  10          HH11      ARG  10   9.019   6.318   3.334
   78   HH12  ARG  10          HH12      ARG  10   7.406   6.438   3.963
   79   HH21  ARG  10          HH21      ARG  10   5.850   6.282   0.822
   80   HH22  ARG  10          HH22      ARG  10   5.606   6.413   2.533
   81    H    ASN  11           HN       ASN  11  13.148   4.008  -2.134
   82    HA   ASN  11           HA       ASN  11  15.329   3.791  -1.535
   83    HB2  ASN  11           HB2      ASN  11  14.231   3.425   1.264
   84    HB3  ASN  11           HB1      ASN  11  15.888   3.844   0.848
   85   HD21  ASN  11          HD21      ASN  11  13.910   5.263   2.467
   86   HD22  ASN  11          HD22      ASN  11  13.759   6.832   1.755
   87    H    ALA  12           HN       ALA  12  13.939   1.549  -2.446
   88    HA   ALA  12           HA       ALA  12  14.219  -0.655  -2.823
   89    HB1  ALA  12           HB1      ALA  12  16.295  -1.735  -2.185
   90    HB2  ALA  12           HB2      ALA  12  16.664  -0.418  -1.072
   91    HB3  ALA  12           HB3      ALA  12  16.612  -0.118  -2.809
   92    H    VAL  13           HN       VAL  13  12.901   0.456  -0.290
   93    HA   VAL  13           HA       VAL  13  12.618  -2.178   1.007
   94    HB   VAL  13           HB       VAL  13  12.032   0.486   2.305
   95   HG11  VAL  13          HG11      VAL  13  10.749  -1.375   3.200
   96   HG12  VAL  13          HG12      VAL  13  11.943  -0.818   4.373
   97   HG13  VAL  13          HG13      VAL  13  12.234  -2.293   3.450
   98   HG21  VAL  13          HG21      VAL  13  14.431   0.304   1.890
   99   HG22  VAL  13          HG22      VAL  13  14.450  -1.277   2.673
  100   HG23  VAL  13          HG23      VAL  13  14.075   0.168   3.613
  101    H    ARG  14           HN       ARG  14  10.627  -3.042   0.916
  102    HA   ARG  14           HA       ARG  14   8.611  -1.568  -0.564
  103    HB2  ARG  14           HB2      ARG  14   9.361  -3.914  -1.143
  104    HB3  ARG  14           HB1      ARG  14   8.568  -4.446   0.332
  105    HG2  ARG  14           HG2      ARG  14   6.453  -3.660  -0.491
  106    HG3  ARG  14           HG1      ARG  14   7.216  -3.060  -1.964
  107    HD2  ARG  14           HD2      ARG  14   8.010  -5.425  -2.359
  108    HD3  ARG  14           HD1      ARG  14   6.942  -5.913  -1.045
  109    HE   ARG  14           HE       ARG  14   5.801  -4.432  -3.291
  110   HH11  ARG  14          HH11      ARG  14   6.148  -7.437  -1.534
  111   HH12  ARG  14          HH12      ARG  14   4.838  -8.218  -2.359
  112   HH21  ARG  14          HH21      ARG  14   4.075  -5.464  -4.382
  113   HH22  ARG  14          HH22      ARG  14   3.668  -7.101  -3.983
  114    H    VAL  15           HN       VAL  15   6.663  -0.966   0.253
  115    HA   VAL  15           HA       VAL  15   5.926  -1.876   2.937
  116    HB   VAL  15           HB       VAL  15   7.160   0.270   3.138
  117   HG11  VAL  15          HG11      VAL  15   4.845   1.455   1.632
  118   HG12  VAL  15          HG12      VAL  15   6.502   1.306   1.042
  119   HG13  VAL  15          HG13      VAL  15   6.147   2.353   2.416
  120   HG21  VAL  15          HG21      VAL  15   5.558  -0.369   4.837
  121   HG22  VAL  15          HG22      VAL  15   4.250   0.359   3.906
  122   HG23  VAL  15          HG23      VAL  15   5.515   1.377   4.593
  123    H    CYS  16           HN       CYS  16   3.785  -2.311   3.125
  124    HA   CYS  16           HA       CYS  16   2.058  -1.396   0.926
  125    HB2  CYS  16           HB2      CYS  16   2.441  -3.995   2.073
  126    HB3  CYS  16           HB1      CYS  16   0.773  -3.492   2.312
  127    H    HIS  17           HN       HIS  17   0.288  -0.253   1.339
  128    HA   HIS  17           HA       HIS  17  -0.532   0.093   4.161
  129    HB2  HIS  17           HB2      HIS  17  -1.191   2.175   2.120
  130    HB3  HIS  17           HB1      HIS  17  -0.924   2.356   3.846
  131    HD1  HIS  17           HD1      HIS  17   0.489   3.428   0.867
  132    HD2  HIS  17           HD2      HIS  17   2.104   1.725   4.296
  133    HE1  HIS  17           HE1      HIS  17   2.918   4.069   0.860
  134    HE2  HIS  17           HE2      HIS  17   3.789   3.261   3.079
  135    H    ARG  18           HN       ARG  18  -2.724  -0.164   4.573
  136    HA   ARG  18           HA       ARG  18  -4.364  -1.043   2.334
  137    HB2  ARG  18           HB2      ARG  18  -4.407  -2.289   4.496
  138    HB3  ARG  18           HB1      ARG  18  -5.096  -0.861   5.262
  139    HG2  ARG  18           HG2      ARG  18  -6.947  -1.031   3.513
  140    HG3  ARG  18           HG1      ARG  18  -6.329  -2.655   3.202
  141    HD2  ARG  18           HD2      ARG  18  -8.146  -2.764   4.792
  142    HD3  ARG  18           HD1      ARG  18  -6.633  -3.194   5.586
  143    HE   ARG  18           HE       ARG  18  -7.768  -0.483   5.798
  144   HH11  ARG  18          HH11      ARG  18  -6.530  -3.400   7.304
  145   HH12  ARG  18          HH12      ARG  18  -6.511  -2.710   8.895
  146   HH21  ARG  18          HH21      ARG  18  -7.722   0.419   7.875
  147   HH22  ARG  18          HH22      ARG  18  -7.180  -0.538   9.220
  148    H    ARG  19           HN       ARG  19  -5.009   0.666   1.155
  149    HA   ARG  19           HA       ARG  19  -6.293   2.883   2.613
  150    HB2  ARG  19           HB2      ARG  19  -5.455   4.436   1.103
  151    HB3  ARG  19           HB1      ARG  19  -4.112   3.318   1.262
  152    HG2  ARG  19           HG2      ARG  19  -4.092   3.220  -0.951
  153    HG3  ARG  19           HG1      ARG  19  -5.592   2.294  -0.845
  154    HD2  ARG  19           HD2      ARG  19  -5.927   4.128  -2.360
  155    HD3  ARG  19           HD1      ARG  19  -6.852   4.434  -0.888
  156    HE   ARG  19           HE       ARG  19  -4.218   5.617  -0.912
  157   HH11  ARG  19          HH11      ARG  19  -7.609   6.067  -1.653
  158   HH12  ARG  19          HH12      ARG  19  -7.491   7.798  -1.731
  159   HH21  ARG  19          HH21      ARG  19  -4.064   7.889  -1.002
  160   HH22  ARG  19          HH22      ARG  19  -5.470   8.832  -1.367
  161    H    CYS  20           HN       CYS  20  -7.998   3.986   1.307
  162    HA   CYS  20           HA       CYS  20  -9.508   1.989  -0.244
  163    HB2  CYS  20           HB2      CYS  20 -10.702   4.100   1.550
  164    HB3  CYS  20           HB1      CYS  20 -11.534   2.745   0.792
  165    H    ASN  21           HN       ASN  21 -11.288   3.108  -1.596
  166    HA   ASN  21           HA       ASN  21  -9.907   5.192  -3.091
  167    HB2  ASN  21           HB2      ASN  21 -11.568   4.735  -4.873
  168    HB3  ASN  21           HB1      ASN  21 -10.669   3.302  -4.397
  169   HD21  ASN  21          HD21      ASN  21 -13.227   3.529  -5.736
  170   HD22  ASN  21          HD22      ASN  21 -14.371   2.687  -4.753
  Start of MODEL    7
    1    H1   ALA   1           HT1      ALA   1 -17.459   0.579   2.488
    2    H2   ALA   1           HT2      ALA   1 -16.531  -0.799   2.795
    3    H3   ALA   1           HT3      ALA   1 -17.303  -0.615   1.303
    4    HA   ALA   1           HA       ALA   1 -15.926   1.255   0.761
    5    HB1  ALA   1           HB1      ALA   1 -14.073   1.887   2.216
    6    HB2  ALA   1           HB2      ALA   1 -14.608   0.709   3.415
    7    HB3  ALA   1           HB3      ALA   1 -15.625   2.097   3.027
    8    H    PHE   2           HN       PHE   2 -14.615   0.572  -0.794
    9    HA   PHE   2           HA       PHE   2 -13.414  -2.062  -0.598
   10    HB2  PHE   2           HB2      PHE   2 -14.479  -1.491  -2.698
   11    HB3  PHE   2           HB1      PHE   2 -13.489  -0.046  -2.851
   12    HD1  PHE   2           HD1      PHE   2 -11.459  -0.111  -3.944
   13    HD2  PHE   2           HD2      PHE   2 -13.311  -3.744  -2.738
   14    HE1  PHE   2           HE1      PHE   2  -9.786  -1.377  -5.205
   15    HE2  PHE   2           HE2      PHE   2 -11.635  -5.018  -4.002
   16    HZ   PHE   2           HZ       PHE   2  -9.864  -3.838  -5.240
   17    H    CYS   3           HN       CYS   3 -11.436  -2.388   0.101
   18    HA   CYS   3           HA       CYS   3  -9.489  -0.195  -0.087
   19    HB2  CYS   3           HB2      CYS   3  -9.705  -2.224   2.144
   20    HB3  CYS   3           HB1      CYS   3  -8.552  -0.900   2.049
   21    H    TRP   4           HN       TRP   4  -7.326  -0.785  -0.422
   22    HA   TRP   4           HA       TRP   4  -6.763  -3.572  -1.091
   23    HB2  TRP   4           HB2      TRP   4  -5.835  -2.978  -3.277
   24    HB3  TRP   4           HB1      TRP   4  -7.533  -2.530  -3.198
   25    HD1  TRP   4           HD1      TRP   4  -4.048  -1.034  -3.509
   26    HE1  TRP   4           HE1      TRP   4  -4.256   1.467  -4.107
   27    HE3  TRP   4           HE3      TRP   4  -9.100  -0.448  -2.938
   28    HZ2  TRP   4           HZ2      TRP   4  -6.237   3.388  -4.316
   29    HZ3  TRP   4           HZ3      TRP   4 -10.072   1.772  -3.366
   30    HH2  TRP   4           HH2      TRP   4  -8.671   3.654  -4.045
   31    H    ASN   5           HN       ASN   5  -4.304  -3.652  -1.795
   32    HA   ASN   5           HA       ASN   5  -2.882  -2.143   0.275
   33    HB2  ASN   5           HB2      ASN   5  -1.142  -3.875   0.130
   34    HB3  ASN   5           HB1      ASN   5  -2.716  -4.567   0.498
   35   HD21  ASN   5          HD21      ASN   5  -0.312  -5.771  -0.658
   36   HD22  ASN   5          HD22      ASN   5  -0.806  -6.457  -2.168
   37    H    VAL   6           HN       VAL   6  -1.917  -0.369  -0.437
   38    HA   VAL   6           HA       VAL   6  -0.667  -0.367  -3.082
   39    HB   VAL   6           HB       VAL   6  -0.799   1.896  -1.072
   40   HG11  VAL   6          HG11      VAL   6   0.029   1.849  -3.974
   41   HG12  VAL   6          HG12      VAL   6   1.093   2.081  -2.586
   42   HG13  VAL   6          HG13      VAL   6  -0.126   3.296  -2.975
   43   HG21  VAL   6          HG21      VAL   6  -2.526   2.856  -2.506
   44   HG22  VAL   6          HG22      VAL   6  -3.025   1.272  -1.919
   45   HG23  VAL   6          HG23      VAL   6  -2.441   1.452  -3.568
   46    H    CYS   7           HN       CYS   7   1.217  -1.364  -3.106
   47    HA   CYS   7           HA       CYS   7   2.972  -1.159  -0.771
   48    HB2  CYS   7           HB2      CYS   7   3.115  -3.040  -3.134
   49    HB3  CYS   7           HB1      CYS   7   4.167  -3.076  -1.721
   50    H    VAL   8           HN       VAL   8   4.304   0.497  -0.877
   51    HA   VAL   8           HA       VAL   8   5.325   1.352  -3.487
   52    HB   VAL   8           HB       VAL   8   5.606   2.695  -0.797
   53   HG11  VAL   8          HG11      VAL   8   6.276   3.680  -3.565
   54   HG12  VAL   8          HG12      VAL   8   7.420   3.308  -2.273
   55   HG13  VAL   8          HG13      VAL   8   6.304   4.664  -2.100
   56   HG21  VAL   8          HG21      VAL   8   3.284   2.657  -1.523
   57   HG22  VAL   8          HG22      VAL   8   3.750   3.322  -3.088
   58   HG23  VAL   8          HG23      VAL   8   3.939   4.292  -1.628
   59    H    TYR   9           HN       TYR   9   7.359   1.021  -4.083
   60    HA   TYR   9           HA       TYR   9   9.211  -0.134  -2.142
   61    HB2  TYR   9           HB2      TYR   9   8.856  -0.372  -5.050
   62    HB3  TYR   9           HB1      TYR   9  10.528  -0.202  -4.537
   63    HD1  TYR   9           HD1      TYR   9   7.582  -2.354  -4.520
   64    HD2  TYR   9           HD2      TYR   9  11.573  -1.895  -3.121
   65    HE1  TYR   9           HE1      TYR   9   7.640  -4.738  -3.916
   66    HE2  TYR   9           HE2      TYR   9  11.649  -4.273  -2.515
   67    HH   TYR   9           HH       TYR   9   9.295  -6.510  -3.549
   68    H    ARG  10           HN       ARG  10  10.010   1.525  -1.035
   69    HA   ARG  10           HA       ARG  10  11.461   3.567  -2.566
   70    HB2  ARG  10           HB2      ARG  10  10.945   5.174  -0.806
   71    HB3  ARG  10           HB1      ARG  10   9.468   4.541  -1.506
   72    HG2  ARG  10           HG2      ARG  10   9.256   3.010   0.401
   73    HG3  ARG  10           HG1      ARG  10  10.697   3.730   1.114
   74    HD2  ARG  10           HD2      ARG  10   8.179   5.235   0.424
   75    HD3  ARG  10           HD1      ARG  10   8.592   4.647   2.035
   76    HE   ARG  10           HE       ARG  10  10.706   6.226   1.045
   77   HH11  ARG  10          HH11      ARG  10   7.416   6.534   2.182
   78   HH12  ARG  10          HH12      ARG  10   7.639   8.143   2.795
   79   HH21  ARG  10          HH21      ARG  10  11.022   8.333   1.858
   80   HH22  ARG  10          HH22      ARG  10   9.707   9.165   2.622
   81    H    ASN  11           HN       ASN  11  13.518   3.926  -1.924
   82    HA   ASN  11           HA       ASN  11  15.570   3.369  -1.100
   83    HB2  ASN  11           HB2      ASN  11  14.067   2.781   1.467
   84    HB3  ASN  11           HB1      ASN  11  15.792   3.089   1.318
   85   HD21  ASN  11          HD21      ASN  11  13.741   4.460   2.876
   86   HD22  ASN  11          HD22      ASN  11  13.801   6.116   2.387
   87    H    ALA  12           HN       ALA  12  13.904   1.376  -2.368
   88    HA   ALA  12           HA       ALA  12  13.799  -0.824  -2.865
   89    HB1  ALA  12           HB1      ALA  12  15.638  -2.283  -2.284
   90    HB2  ALA  12           HB2      ALA  12  16.212  -1.123  -1.086
   91    HB3  ALA  12           HB3      ALA  12  16.250  -0.711  -2.801
   92    H    VAL  13           HN       VAL  13  12.772   0.365  -0.161
   93    HA   VAL  13           HA       VAL  13  12.259  -2.180   1.211
   94    HB   VAL  13           HB       VAL  13  11.589   0.612   2.151
   95   HG11  VAL  13          HG11      VAL  13  11.651  -2.014   3.632
   96   HG12  VAL  13          HG12      VAL  13  10.205  -1.127   3.151
   97   HG13  VAL  13          HG13      VAL  13  11.307  -0.436   4.343
   98   HG21  VAL  13          HG21      VAL  13  14.006   0.353   1.949
   99   HG22  VAL  13          HG22      VAL  13  13.934  -1.125   2.907
  100   HG23  VAL  13          HG23      VAL  13  13.519   0.421   3.645
  101    H    ARG  14           HN       ARG  14  10.285  -3.084   1.191
  102    HA   ARG  14           HA       ARG  14   8.208  -1.844  -0.399
  103    HB2  ARG  14           HB2      ARG  14   8.768  -4.157  -0.870
  104    HB3  ARG  14           HB1      ARG  14   8.484  -4.601   0.810
  105    HG2  ARG  14           HG2      ARG  14   6.134  -4.021   0.563
  106    HG3  ARG  14           HG1      ARG  14   6.443  -3.568  -1.109
  107    HD2  ARG  14           HD2      ARG  14   6.976  -5.812  -1.706
  108    HD3  ARG  14           HD1      ARG  14   6.978  -6.318  -0.016
  109    HE   ARG  14           HE       ARG  14   4.475  -5.436  -0.299
  110   HH11  ARG  14          HH11      ARG  14   6.386  -7.577  -2.311
  111   HH12  ARG  14          HH12      ARG  14   5.010  -8.466  -2.882
  112   HH21  ARG  14          HH21      ARG  14   2.675  -6.624  -1.026
  113   HH22  ARG  14          HH22      ARG  14   2.903  -7.936  -2.141
  114    H    VAL  15           HN       VAL  15   6.826  -0.544   0.629
  115    HA   VAL  15           HA       VAL  15   5.825  -1.449   3.245
  116    HB   VAL  15           HB       VAL  15   5.170   0.929   3.677
  117   HG11  VAL  15          HG11      VAL  15   7.419   1.644   4.323
  118   HG12  VAL  15          HG12      VAL  15   8.112   0.402   3.281
  119   HG13  VAL  15          HG13      VAL  15   7.155  -0.063   4.687
  120   HG21  VAL  15          HG21      VAL  15   6.391   2.680   2.402
  121   HG22  VAL  15          HG22      VAL  15   5.156   1.839   1.466
  122   HG23  VAL  15          HG23      VAL  15   6.860   1.440   1.236
  123    H    CYS  16           HN       CYS  16   3.957  -2.432   2.960
  124    HA   CYS  16           HA       CYS  16   2.137  -1.539   0.871
  125    HB2  CYS  16           HB2      CYS  16   2.013  -3.925   2.721
  126    HB3  CYS  16           HB1      CYS  16   0.836  -3.565   1.460
  127    H    HIS  17           HN       HIS  17   0.614  -0.143   1.249
  128    HA   HIS  17           HA       HIS  17  -0.217   0.366   4.026
  129    HB2  HIS  17           HB2      HIS  17  -0.897   2.124   1.681
  130    HB3  HIS  17           HB1      HIS  17  -0.787   2.558   3.379
  131    HD1  HIS  17           HD1      HIS  17   0.835   3.322   0.453
  132    HD2  HIS  17           HD2      HIS  17   2.243   1.991   4.128
  133    HE1  HIS  17           HE1      HIS  17   3.241   4.011   0.542
  134    HE2  HIS  17           HE2      HIS  17   3.993   3.412   2.872
  135    H    ARG  18           HN       ARG  18  -2.454   0.435   4.551
  136    HA   ARG  18           HA       ARG  18  -4.155  -1.025   2.698
  137    HB2  ARG  18           HB2      ARG  18  -4.084  -1.576   5.159
  138    HB3  ARG  18           HB1      ARG  18  -4.832  -0.016   5.468
  139    HG2  ARG  18           HG2      ARG  18  -6.528  -1.693   5.510
  140    HG3  ARG  18           HG1      ARG  18  -6.747  -0.715   4.056
  141    HD2  ARG  18           HD2      ARG  18  -5.607  -2.433   2.734
  142    HD3  ARG  18           HD1      ARG  18  -5.395  -3.409   4.185
  143    HE   ARG  18           HE       ARG  18  -8.110  -2.934   3.967
  144   HH11  ARG  18          HH11      ARG  18  -5.615  -4.496   2.085
  145   HH12  ARG  18          HH12      ARG  18  -6.698  -5.628   1.338
  146   HH21  ARG  18          HH21      ARG  18  -9.554  -4.436   2.998
  147   HH22  ARG  18          HH22      ARG  18  -8.945  -5.585   1.846
  148    H    ARG  19           HN       ARG  19  -4.838   0.249   1.134
  149    HA   ARG  19           HA       ARG  19  -5.627   3.009   1.764
  150    HB2  ARG  19           HB2      ARG  19  -3.913   3.206   0.250
  151    HB3  ARG  19           HB1      ARG  19  -4.281   1.680  -0.527
  152    HG2  ARG  19           HG2      ARG  19  -4.683   3.404  -2.089
  153    HG3  ARG  19           HG1      ARG  19  -6.247   2.774  -1.588
  154    HD2  ARG  19           HD2      ARG  19  -6.339   5.156  -1.736
  155    HD3  ARG  19           HD1      ARG  19  -6.481   4.674  -0.048
  156    HE   ARG  19           HE       ARG  19  -3.809   5.185  -0.449
  157   HH11  ARG  19          HH11      ARG  19  -6.803   6.976  -0.696
  158   HH12  ARG  19          HH12      ARG  19  -6.059   8.513  -0.395
  159   HH21  ARG  19          HH21      ARG  19  -2.821   7.220  -0.049
  160   HH22  ARG  19          HH22      ARG  19  -3.802   8.650  -0.018
  161    H    CYS  20           HN       CYS  20  -7.639   3.681   1.375
  162    HA   CYS  20           HA       CYS  20  -9.478   1.818   0.019
  163    HB2  CYS  20           HB2      CYS  20 -10.183   3.716   2.266
  164    HB3  CYS  20           HB1      CYS  20 -11.219   2.486   1.554
  165    H    ASN  21           HN       ASN  21 -11.633   3.200  -0.492
  166    HA   ASN  21           HA       ASN  21 -10.860   5.843  -1.461
  167    HB2  ASN  21           HB2      ASN  21 -11.605   5.498  -3.677
  168    HB3  ASN  21           HB1      ASN  21 -10.606   4.101  -3.306
  169   HD21  ASN  21          HD21      ASN  21 -11.662   2.094  -2.866
  170   HD22  ASN  21          HD22      ASN  21 -13.239   1.786  -3.505
  Start of MODEL    8
    1    H1   ALA   1           HT1      ALA   1 -17.700   0.496  -0.378
    2    H2   ALA   1           HT2      ALA   1 -17.469   0.733  -2.033
    3    H3   ALA   1           HT3      ALA   1 -17.914   2.032  -1.052
    4    HA   ALA   1           HA       ALA   1 -15.584   2.135  -1.632
    5    HB1  ALA   1           HB1      ALA   1 -14.686   2.392   0.616
    6    HB2  ALA   1           HB2      ALA   1 -16.056   1.495   1.277
    7    HB3  ALA   1           HB3      ALA   1 -16.315   3.061   0.507
    8    H    PHE   2           HN       PHE   2 -13.563   1.218  -1.677
    9    HA   PHE   2           HA       PHE   2 -13.326  -1.593  -0.866
   10    HB2  PHE   2           HB2      PHE   2 -13.778  -1.729  -3.212
   11    HB3  PHE   2           HB1      PHE   2 -12.669  -0.413  -3.572
   12    HD1  PHE   2           HD1      PHE   2 -10.571  -0.890  -4.311
   13    HD2  PHE   2           HD2      PHE   2 -12.701  -3.832  -2.107
   14    HE1  PHE   2           HE1      PHE   2  -8.768  -2.494  -4.727
   15    HE2  PHE   2           HE2      PHE   2 -10.903  -5.451  -2.521
   16    HZ   PHE   2           HZ       PHE   2  -8.926  -4.788  -3.836
   17    H    CYS   3           HN       CYS   3 -11.438  -2.049   0.122
   18    HA   CYS   3           HA       CYS   3  -9.321  -0.003   0.023
   19    HB2  CYS   3           HB2      CYS   3  -9.890  -1.902   2.308
   20    HB3  CYS   3           HB1      CYS   3  -8.735  -0.570   2.304
   21    H    TRP   4           HN       TRP   4  -7.205  -0.699  -0.237
   22    HA   TRP   4           HA       TRP   4  -6.726  -3.563  -0.483
   23    HB2  TRP   4           HB2      TRP   4  -5.813  -3.414  -2.715
   24    HB3  TRP   4           HB1      TRP   4  -7.462  -2.807  -2.732
   25    HD1  TRP   4           HD1      TRP   4  -3.865  -1.738  -3.326
   26    HE1  TRP   4           HE1      TRP   4  -3.850   0.604  -4.387
   27    HE3  TRP   4           HE3      TRP   4  -8.811  -0.543  -2.760
   28    HZ2  TRP   4           HZ2      TRP   4  -5.670   2.677  -4.904
   29    HZ3  TRP   4           HZ3      TRP   4  -9.588   1.645  -3.567
   30    HH2  TRP   4           HH2      TRP   4  -8.052   3.224  -4.617
   31    H    ASN   5           HN       ASN   5  -4.360  -3.980  -0.960
   32    HA   ASN   5           HA       ASN   5  -2.794  -2.186   0.718
   33    HB2  ASN   5           HB2      ASN   5  -1.107  -3.985   0.756
   34    HB3  ASN   5           HB1      ASN   5  -2.680  -4.546   1.305
   35   HD21  ASN   5          HD21      ASN   5  -3.827  -6.013   0.037
   36   HD22  ASN   5          HD22      ASN   5  -3.074  -6.903  -1.240
   37    H    VAL   6           HN       VAL   6  -1.626  -0.664  -0.158
   38    HA   VAL   6           HA       VAL   6  -0.684  -0.952  -2.927
   39    HB   VAL   6           HB       VAL   6  -0.507   1.513  -1.190
   40   HG11  VAL   6          HG11      VAL   6  -0.338   1.153  -4.179
   41   HG12  VAL   6          HG12      VAL   6   1.022   1.434  -3.093
   42   HG13  VAL   6          HG13      VAL   6  -0.207   2.680  -3.308
   43   HG21  VAL   6          HG21      VAL   6  -2.844   0.965  -1.401
   44   HG22  VAL   6          HG22      VAL   6  -2.669   0.748  -3.142
   45   HG23  VAL   6          HG23      VAL   6  -2.473   2.348  -2.430
   46    H    CYS   7           HN       CYS   7   1.228  -1.963  -2.999
   47    HA   CYS   7           HA       CYS   7   3.190  -1.506  -0.895
   48    HB2  CYS   7           HB2      CYS   7   2.799  -3.555  -2.977
   49    HB3  CYS   7           HB1      CYS   7   4.468  -3.164  -2.595
   50    H    VAL   8           HN       VAL   8   4.458   0.139  -1.051
   51    HA   VAL   8           HA       VAL   8   5.331   1.054  -3.715
   52    HB   VAL   8           HB       VAL   8   5.456   2.534  -1.085
   53   HG11  VAL   8          HG11      VAL   8   7.223   3.242  -2.570
   54   HG12  VAL   8          HG12      VAL   8   5.993   4.501  -2.468
   55   HG13  VAL   8          HG13      VAL   8   6.068   3.454  -3.886
   56   HG21  VAL   8          HG21      VAL   8   3.152   2.264  -1.818
   57   HG22  VAL   8          HG22      VAL   8   3.573   2.893  -3.412
   58   HG23  VAL   8          HG23      VAL   8   3.663   3.943  -1.997
   59    H    TYR   9           HN       TYR   9   7.404   0.827  -4.256
   60    HA   TYR   9           HA       TYR   9   9.260  -0.263  -2.303
   61    HB2  TYR   9           HB2      TYR   9   8.928  -0.716  -4.993
   62    HB3  TYR   9           HB1      TYR   9  10.287   0.399  -4.982
   63    HD1  TYR   9           HD1      TYR   9   9.131  -2.711  -3.263
   64    HD2  TYR   9           HD2      TYR   9  12.394  -0.465  -4.793
   65    HE1  TYR   9           HE1      TYR   9  10.650  -4.569  -2.723
   66    HE2  TYR   9           HE2      TYR   9  13.928  -2.314  -4.261
   67    HH   TYR   9           HH       TYR   9  14.012  -4.242  -2.707
   68    H    ARG  10           HN       ARG  10   9.857   1.333  -0.955
   69    HA   ARG  10           HA       ARG  10  10.966   3.778  -2.170
   70    HB2  ARG  10           HB2      ARG  10   8.768   4.082  -0.959
   71    HB3  ARG  10           HB1      ARG  10   9.595   3.609   0.517
   72    HG2  ARG  10           HG2      ARG  10  11.067   5.518   0.350
   73    HG3  ARG  10           HG1      ARG  10  10.348   5.954  -1.202
   74    HD2  ARG  10           HD2      ARG  10   8.820   5.805   1.386
   75    HD3  ARG  10           HD1      ARG  10   9.502   7.289   0.724
   76    HE   ARG  10           HE       ARG  10   8.042   6.630  -1.312
   77   HH11  ARG  10          HH11      ARG  10   7.203   6.197   2.053
   78   HH12  ARG  10          HH12      ARG  10   5.497   6.340   1.779
   79   HH21  ARG  10          HH21      ARG  10   5.803   6.825  -1.683
   80   HH22  ARG  10          HH22      ARG  10   4.695   6.698  -0.351
   81    H    ASN  11           HN       ASN  11  13.033   4.121  -1.726
   82    HA   ASN  11           HA       ASN  11  15.141   3.787  -0.951
   83    HB2  ASN  11           HB2      ASN  11  13.692   3.232   1.650
   84    HB3  ASN  11           HB1      ASN  11  15.437   3.415   1.502
   85   HD21  ASN  11          HD21      ASN  11  13.530   4.984   3.037
   86   HD22  ASN  11          HD22      ASN  11  13.691   6.612   2.480
   87    H    ALA  12           HN       ALA  12  13.775   1.683  -2.225
   88    HA   ALA  12           HA       ALA  12  13.967  -0.497  -2.778
   89    HB1  ALA  12           HB1      ALA  12  15.975  -1.713  -2.142
   90    HB2  ALA  12           HB2      ALA  12  16.344  -0.501  -0.914
   91    HB3  ALA  12           HB3      ALA  12  16.379  -0.065  -2.622
   92    H    VAL  13           HN       VAL  13  12.581   0.442  -0.226
   93    HA   VAL  13           HA       VAL  13  12.295  -2.221   0.998
   94    HB   VAL  13           HB       VAL  13  11.504   0.445   2.177
   95   HG11  VAL  13          HG11      VAL  13  10.128  -1.409   2.964
   96   HG12  VAL  13          HG12      VAL  13  11.168  -0.797   4.250
   97   HG13  VAL  13          HG13      VAL  13  11.581  -2.298   3.419
   98   HG21  VAL  13          HG21      VAL  13  13.389   0.132   3.713
   99   HG22  VAL  13          HG22      VAL  13  13.921   0.266   2.037
  100   HG23  VAL  13          HG23      VAL  13  13.862  -1.314   2.821
  101    H    ARG  14           HN       ARG  14  10.353  -3.200   0.882
  102    HA   ARG  14           HA       ARG  14   8.302  -1.906  -0.723
  103    HB2  ARG  14           HB2      ARG  14   9.056  -4.142  -1.375
  104    HB3  ARG  14           HB1      ARG  14   8.583  -4.764   0.201
  105    HG2  ARG  14           HG2      ARG  14   6.272  -4.221  -0.265
  106    HG3  ARG  14           HG1      ARG  14   6.727  -3.577  -1.844
  107    HD2  ARG  14           HD2      ARG  14   7.180  -6.409  -0.931
  108    HD3  ARG  14           HD1      ARG  14   5.841  -5.882  -1.949
  109    HE   ARG  14           HE       ARG  14   7.739  -5.097  -3.492
  110   HH11  ARG  14          HH11      ARG  14   7.875  -7.942  -1.456
  111   HH12  ARG  14          HH12      ARG  14   8.951  -8.795  -2.514
  112   HH21  ARG  14          HH21      ARG  14   9.149  -6.220  -4.885
  113   HH22  ARG  14          HH22      ARG  14   9.676  -7.819  -4.460
  114    H    VAL  15           HN       VAL  15   6.888  -0.739   0.395
  115    HA   VAL  15           HA       VAL  15   5.846  -1.897   2.894
  116    HB   VAL  15           HB       VAL  15   5.225   0.428   3.562
  117   HG11  VAL  15          HG11      VAL  15   7.191  -0.632   4.499
  118   HG12  VAL  15          HG12      VAL  15   7.505   1.083   4.233
  119   HG13  VAL  15          HG13      VAL  15   8.156  -0.117   3.118
  120   HG21  VAL  15          HG21      VAL  15   6.443   2.292   2.468
  121   HG22  VAL  15          HG22      VAL  15   5.212   1.551   1.449
  122   HG23  VAL  15          HG23      VAL  15   6.919   1.178   1.185
  123    H    CYS  16           HN       CYS  16   3.852  -2.610   2.748
  124    HA   CYS  16           HA       CYS  16   2.081  -1.557   0.682
  125    HB2  CYS  16           HB2      CYS  16   2.303  -4.091   2.113
  126    HB3  CYS  16           HB1      CYS  16   0.652  -3.485   2.040
  127    H    HIS  17           HN       HIS  17   0.543  -0.159   1.093
  128    HA   HIS  17           HA       HIS  17  -0.149   0.381   3.906
  129    HB2  HIS  17           HB2      HIS  17  -0.758   2.251   1.632
  130    HB3  HIS  17           HB1      HIS  17  -0.600   2.618   3.341
  131    HD1  HIS  17           HD1      HIS  17   1.086   3.111   0.302
  132    HD2  HIS  17           HD2      HIS  17   2.330   2.137   4.140
  133    HE1  HIS  17           HE1      HIS  17   3.517   3.700   0.389
  134    HE2  HIS  17           HE2      HIS  17   4.170   3.358   2.800
  135    H    ARG  18           HN       ARG  18  -2.314   0.439   4.494
  136    HA   ARG  18           HA       ARG  18  -4.135  -0.840   2.612
  137    HB2  ARG  18           HB2      ARG  18  -3.932  -1.697   4.938
  138    HB3  ARG  18           HB1      ARG  18  -4.519  -0.152   5.532
  139    HG2  ARG  18           HG2      ARG  18  -6.336  -1.655   5.579
  140    HG3  ARG  18           HG1      ARG  18  -6.614  -0.548   4.235
  141    HD2  ARG  18           HD2      ARG  18  -5.843  -2.214   2.658
  142    HD3  ARG  18           HD1      ARG  18  -5.434  -3.310   3.978
  143    HE   ARG  18           HE       ARG  18  -8.119  -2.671   4.255
  144   HH11  ARG  18          HH11      ARG  18  -6.069  -4.363   1.980
  145   HH12  ARG  18          HH12      ARG  18  -7.346  -5.372   1.384
  146   HH21  ARG  18          HH21      ARG  18  -9.787  -4.030   3.510
  147   HH22  ARG  18          HH22      ARG  18  -9.463  -5.196   2.267
  148    H    ARG  19           HN       ARG  19  -4.883   0.674   1.216
  149    HA   ARG  19           HA       ARG  19  -6.026   3.119   2.397
  150    HB2  ARG  19           HB2      ARG  19  -5.274   4.396   0.622
  151    HB3  ARG  19           HB1      ARG  19  -3.961   3.240   0.780
  152    HG2  ARG  19           HG2      ARG  19  -4.214   2.943  -1.411
  153    HG3  ARG  19           HG1      ARG  19  -5.631   1.980  -0.985
  154    HD2  ARG  19           HD2      ARG  19  -6.353   3.528  -2.621
  155    HD3  ARG  19           HD1      ARG  19  -6.959   4.127  -1.075
  156    HE   ARG  19           HE       ARG  19  -4.424   5.262  -1.746
  157   HH11  ARG  19          HH11      ARG  19  -7.874   5.528  -2.295
  158   HH12  ARG  19          HH12      ARG  19  -7.783   7.172  -2.843
  159   HH21  ARG  19          HH21      ARG  19  -4.307   7.417  -2.450
  160   HH22  ARG  19          HH22      ARG  19  -5.754   8.254  -2.924
  161    H    CYS  20           HN       CYS  20  -7.851   4.020   1.155
  162    HA   CYS  20           HA       CYS  20  -9.440   1.919  -0.157
  163    HB2  CYS  20           HB2      CYS  20 -10.564   3.985   1.733
  164    HB3  CYS  20           HB1      CYS  20 -11.403   2.601   1.045
  165    H    ASN  21           HN       ASN  21 -11.334   2.931  -1.407
  166    HA   ASN  21           HA       ASN  21 -10.168   5.012  -3.042
  167    HB2  ASN  21           HB2      ASN  21 -12.086   4.623  -4.557
  168    HB3  ASN  21           HB1      ASN  21 -11.197   3.150  -4.196
  169   HD21  ASN  21          HD21      ASN  21 -13.930   3.540  -5.142
  170   HD22  ASN  21          HD22      ASN  21 -14.949   2.736  -3.996
  Start of MODEL    9
    1    H1   ALA   1           HT1      ALA   1 -17.114   0.093   0.938
    2    H2   ALA   1           HT2      ALA   1 -17.255   1.512   1.843
    3    H3   ALA   1           HT3      ALA   1 -16.243   0.268   2.374
    4    HA   ALA   1           HA       ALA   1 -15.866   1.849  -0.097
    5    HB1  ALA   1           HB1      ALA   1 -15.458   3.172   1.914
    6    HB2  ALA   1           HB2      ALA   1 -13.955   2.838   1.056
    7    HB3  ALA   1           HB3      ALA   1 -14.357   1.929   2.511
    8    H    PHE   2           HN       PHE   2 -14.473   0.988  -1.518
    9    HA   PHE   2           HA       PHE   2 -13.492  -1.658  -1.078
   10    HB2  PHE   2           HB2      PHE   2 -14.225  -0.883  -3.306
   11    HB3  PHE   2           HB1      PHE   2 -12.896   0.271  -3.337
   12    HD1  PHE   2           HD1      PHE   2 -10.668  -0.424  -3.805
   13    HD2  PHE   2           HD2      PHE   2 -13.807  -3.265  -3.500
   14    HE1  PHE   2           HE1      PHE   2  -9.214  -2.127  -4.812
   15    HE2  PHE   2           HE2      PHE   2 -12.372  -4.976  -4.510
   16    HZ   PHE   2           HZ       PHE   2 -10.050  -4.401  -5.177
   17    H    CYS   3           HN       CYS   3 -11.549  -2.284  -0.357
   18    HA   CYS   3           HA       CYS   3  -9.474  -0.219  -0.038
   19    HB2  CYS   3           HB2      CYS   3 -10.073  -2.469   1.892
   20    HB3  CYS   3           HB1      CYS   3  -8.852  -1.216   2.099
   21    H    TRP   4           HN       TRP   4  -7.397  -0.805  -0.526
   22    HA   TRP   4           HA       TRP   4  -6.842  -3.615  -1.090
   23    HB2  TRP   4           HB2      TRP   4  -5.919  -3.193  -3.272
   24    HB3  TRP   4           HB1      TRP   4  -7.567  -2.584  -3.240
   25    HD1  TRP   4           HD1      TRP   4  -3.953  -1.449  -3.634
   26    HE1  TRP   4           HE1      TRP   4  -3.932   0.990  -4.442
   27    HE3  TRP   4           HE3      TRP   4  -8.914  -0.343  -3.054
   28    HZ2  TRP   4           HZ2      TRP   4  -5.745   3.097  -4.777
   29    HZ3  TRP   4           HZ3      TRP   4  -9.689   1.918  -3.642
   30    HH2  TRP   4           HH2      TRP   4  -8.135   3.603  -4.486
   31    H    ASN   5           HN       ASN   5  -4.414  -3.791  -1.742
   32    HA   ASN   5           HA       ASN   5  -2.962  -2.301   0.311
   33    HB2  ASN   5           HB2      ASN   5  -1.237  -4.046   0.115
   34    HB3  ASN   5           HB1      ASN   5  -2.813  -4.726   0.494
   35   HD21  ASN   5          HD21      ASN   5  -3.897  -5.944  -1.080
   36   HD22  ASN   5          HD22      ASN   5  -3.068  -6.592  -2.451
   37    H    VAL   6           HN       VAL   6  -1.622  -0.745  -0.205
   38    HA   VAL   6           HA       VAL   6  -0.616  -0.610  -2.969
   39    HB   VAL   6           HB       VAL   6  -0.792   1.621  -0.941
   40   HG11  VAL   6          HG11      VAL   6  -0.031   1.642  -3.857
   41   HG12  VAL   6          HG12      VAL   6   1.059   1.895  -2.496
   42   HG13  VAL   6          HG13      VAL   6  -0.212   3.070  -2.839
   43   HG21  VAL   6          HG21      VAL   6  -2.569   2.529  -2.360
   44   HG22  VAL   6          HG22      VAL   6  -3.004   0.956  -1.693
   45   HG23  VAL   6          HG23      VAL   6  -2.486   1.087  -3.374
   46    H    CYS   7           HN       CYS   7   1.268  -1.631  -2.983
   47    HA   CYS   7           HA       CYS   7   3.116  -1.369  -0.740
   48    HB2  CYS   7           HB2      CYS   7   3.023  -3.172  -3.145
   49    HB3  CYS   7           HB1      CYS   7   4.451  -3.064  -2.132
   50    H    VAL   8           HN       VAL   8   4.500   0.272  -0.792
   51    HA   VAL   8           HA       VAL   8   5.413   1.250  -3.416
   52    HB   VAL   8           HB       VAL   8   5.592   2.589  -0.719
   53   HG11  VAL   8          HG11      VAL   8   7.429   3.247  -2.171
   54   HG12  VAL   8          HG12      VAL   8   6.294   4.579  -1.958
   55   HG13  VAL   8          HG13      VAL   8   6.284   3.647  -3.453
   56   HG21  VAL   8          HG21      VAL   8   3.776   3.131  -3.062
   57   HG22  VAL   8          HG22      VAL   8   3.905   4.146  -1.624
   58   HG23  VAL   8          HG23      VAL   8   3.300   2.494  -1.488
   59    H    TYR   9           HN       TYR   9   7.465   1.011  -4.003
   60    HA   TYR   9           HA       TYR   9   9.354  -0.130  -2.096
   61    HB2  TYR   9           HB2      TYR   9   9.080  -0.136  -5.035
   62    HB3  TYR   9           HB1      TYR   9  10.721  -0.024  -4.427
   63    HD1  TYR   9           HD1      TYR   9   7.773  -2.124  -4.751
   64    HD2  TYR   9           HD2      TYR   9  11.697  -1.873  -3.131
   65    HE1  TYR   9           HE1      TYR   9   7.768  -4.553  -4.387
   66    HE2  TYR   9           HE2      TYR   9  11.704  -4.305  -2.763
   67    HH   TYR   9           HH       TYR   9   9.262  -6.369  -4.076
   68    H    ARG  10           HN       ARG  10  10.101   1.482  -0.882
   69    HA   ARG  10           HA       ARG  10  11.154   3.854  -2.274
   70    HB2  ARG  10           HB2      ARG  10   9.150   4.149  -0.730
   71    HB3  ARG  10           HB1      ARG  10  10.232   3.754   0.596
   72    HG2  ARG  10           HG2      ARG  10  11.538   5.692   0.228
   73    HG3  ARG  10           HG1      ARG  10  10.747   6.003  -1.318
   74    HD2  ARG  10           HD2      ARG  10   9.321   6.017   1.332
   75    HD3  ARG  10           HD1      ARG  10   9.966   7.462   0.556
   76    HE   ARG  10           HE       ARG  10   8.447   6.700  -1.382
   77   HH11  ARG  10          HH11      ARG  10   7.694   6.368   2.030
   78   HH12  ARG  10          HH12      ARG  10   5.978   6.416   1.783
   79   HH21  ARG  10          HH21      ARG  10   6.191   6.784  -1.706
   80   HH22  ARG  10          HH22      ARG  10   5.125   6.666  -0.343
   81    H    ASN  11           HN       ASN  11  13.260   3.561  -2.463
   82    HA   ASN  11           HA       ASN  11  15.426   3.075  -2.051
   83    HB2  ASN  11           HB2      ASN  11  14.604   3.506   0.827
   84    HB3  ASN  11           HB1      ASN  11  16.268   3.264   0.307
   85   HD21  ASN  11          HD21      ASN  11  13.606   5.435   0.451
   86   HD22  ASN  11          HD22      ASN  11  14.436   6.835  -0.127
   87    H    ALA  12           HN       ALA  12  13.912   0.983  -2.626
   88    HA   ALA  12           HA       ALA  12  13.846  -1.274  -2.666
   89    HB1  ALA  12           HB1      ALA  12  16.347  -1.111  -0.990
   90    HB2  ALA  12           HB2      ALA  12  16.286  -1.054  -2.752
   91    HB3  ALA  12           HB3      ALA  12  15.782  -2.514  -1.899
   92    H    VAL  13           HN       VAL  13  12.523   0.205  -0.493
   93    HA   VAL  13           HA       VAL  13  12.173  -2.090   1.320
   94    HB   VAL  13           HB       VAL  13  11.497   0.765   1.998
   95   HG11  VAL  13          HG11      VAL  13  11.361  -0.078   4.290
   96   HG12  VAL  13          HG12      VAL  13  11.725  -1.702   3.706
   97   HG13  VAL  13          HG13      VAL  13  10.230  -0.905   3.219
   98   HG21  VAL  13          HG21      VAL  13  13.907   0.617   1.725
   99   HG22  VAL  13          HG22      VAL  13  13.956  -0.788   2.790
  100   HG23  VAL  13          HG23      VAL  13  13.492   0.788   3.431
  101    H    ARG  14           HN       ARG  14  10.287  -3.060   1.057
  102    HA   ARG  14           HA       ARG  14   8.193  -1.825  -0.490
  103    HB2  ARG  14           HB2      ARG  14   8.868  -4.218  -0.786
  104    HB3  ARG  14           HB1      ARG  14   8.218  -4.541   0.818
  105    HG2  ARG  14           HG2      ARG  14   6.033  -3.617   0.001
  106    HG3  ARG  14           HG1      ARG  14   6.745  -3.619  -1.612
  107    HD2  ARG  14           HD2      ARG  14   6.489  -6.043   0.153
  108    HD3  ARG  14           HD1      ARG  14   5.355  -5.615  -1.124
  109    HE   ARG  14           HE       ARG  14   8.103  -5.854  -1.979
  110   HH11  ARG  14          HH11      ARG  14   5.047  -7.487  -1.510
  111   HH12  ARG  14          HH12      ARG  14   5.402  -8.758  -2.636
  112   HH21  ARG  14          HH21      ARG  14   8.584  -7.510  -3.473
  113   HH22  ARG  14          HH22      ARG  14   7.429  -8.775  -3.754
  114    H    VAL  15           HN       VAL  15   7.252  -0.257   0.757
  115    HA   VAL  15           HA       VAL  15   6.057  -1.142   3.288
  116    HB   VAL  15           HB       VAL  15   5.514   1.234   3.690
  117   HG11  VAL  15          HG11      VAL  15   7.553   0.308   4.609
  118   HG12  VAL  15          HG12      VAL  15   7.818   1.984   4.126
  119   HG13  VAL  15          HG13      VAL  15   8.418   0.668   3.116
  120   HG21  VAL  15          HG21      VAL  15   5.331   2.120   1.489
  121   HG22  VAL  15          HG22      VAL  15   7.002   1.690   1.116
  122   HG23  VAL  15          HG23      VAL  15   6.659   2.958   2.295
  123    H    CYS  16           HN       CYS  16   4.095  -1.969   3.124
  124    HA   CYS  16           HA       CYS  16   2.399  -1.036   0.927
  125    HB2  CYS  16           HB2      CYS  16   2.988  -3.611   1.698
  126    HB3  CYS  16           HB1      CYS  16   1.419  -3.324   2.447
  127    H    HIS  17           HN       HIS  17   0.457  -0.185   1.250
  128    HA   HIS  17           HA       HIS  17  -0.331   0.324   4.046
  129    HB2  HIS  17           HB2      HIS  17  -1.103   2.252   1.900
  130    HB3  HIS  17           HB1      HIS  17  -0.797   2.547   3.603
  131    HD1  HIS  17           HD1      HIS  17   0.486   3.581   0.587
  132    HD2  HIS  17           HD2      HIS  17   2.305   1.929   3.937
  133    HE1  HIS  17           HE1      HIS  17   2.900   4.256   0.452
  134    HE2  HIS  17           HE2      HIS  17   3.911   3.452   2.610
  135    H    ARG  18           HN       ARG  18  -2.460  -0.023   4.520
  136    HA   ARG  18           HA       ARG  18  -4.120  -1.174   2.424
  137    HB2  ARG  18           HB2      ARG  18  -3.918  -2.219   4.708
  138    HB3  ARG  18           HB1      ARG  18  -4.738  -0.812   5.362
  139    HG2  ARG  18           HG2      ARG  18  -6.338  -2.536   5.124
  140    HG3  ARG  18           HG1      ARG  18  -6.662  -1.329   3.878
  141    HD2  ARG  18           HD2      ARG  18  -5.449  -2.726   2.249
  142    HD3  ARG  18           HD1      ARG  18  -5.197  -3.939   3.503
  143    HE   ARG  18           HE       ARG  18  -7.944  -3.388   3.288
  144   HH11  ARG  18          HH11      ARG  18  -5.350  -5.005   1.588
  145   HH12  ARG  18          HH12      ARG  18  -6.408  -6.051   0.702
  146   HH21  ARG  18          HH21      ARG  18  -9.343  -4.768   2.131
  147   HH22  ARG  18          HH22      ARG  18  -8.683  -5.921   1.019
  148    H    ARG  19           HN       ARG  19  -4.985   0.409   1.172
  149    HA   ARG  19           HA       ARG  19  -6.125   2.733   2.576
  150    HB2  ARG  19           HB2      ARG  19  -5.442   4.149   0.886
  151    HB3  ARG  19           HB1      ARG  19  -4.122   2.992   0.914
  152    HG2  ARG  19           HG2      ARG  19  -4.454   2.987  -1.304
  153    HG3  ARG  19           HG1      ARG  19  -5.724   1.825  -0.909
  154    HD2  ARG  19           HD2      ARG  19  -6.673   3.456  -2.369
  155    HD3  ARG  19           HD1      ARG  19  -7.315   3.754  -0.751
  156    HE   ARG  19           HE       ARG  19  -5.006   5.321  -1.174
  157   HH11  ARG  19          HH11      ARG  19  -8.362   5.115  -2.134
  158   HH12  ARG  19          HH12      ARG  19  -8.499   6.806  -2.482
  159   HH21  ARG  19          HH21      ARG  19  -5.189   7.554  -1.610
  160   HH22  ARG  19          HH22      ARG  19  -6.703   8.195  -2.169
  161    H    CYS  20           HN       CYS  20  -7.988   3.727   1.544
  162    HA   CYS  20           HA       CYS  20  -9.634   1.843   0.000
  163    HB2  CYS  20           HB2      CYS  20 -10.674   3.454   2.332
  164    HB3  CYS  20           HB1      CYS  20 -11.524   2.198   1.439
  165    H    ASN  21           HN       ASN  21 -11.122   2.857  -1.422
  166    HA   ASN  21           HA       ASN  21 -10.618   5.717  -1.775
  167    HB2  ASN  21           HB2      ASN  21 -11.694   5.467  -3.996
  168    HB3  ASN  21           HB1      ASN  21 -10.286   4.435  -3.797
  169   HD21  ASN  21          HD21      ASN  21 -12.692   4.322  -5.542
  170   HD22  ASN  21          HD22      ASN  21 -13.337   2.733  -5.310
  Start of MODEL   10
    1    H1   ALA   1           HT1      ALA   1 -16.459   2.868   2.721
    2    H2   ALA   1           HT2      ALA   1 -15.519   1.703   3.505
    3    H3   ALA   1           HT3      ALA   1 -16.634   1.232   2.327
    4    HA   ALA   1           HA       ALA   1 -15.393   2.359   0.629
    5    HB1  ALA   1           HB1      ALA   1 -14.487   4.141   2.054
    6    HB2  ALA   1           HB2      ALA   1 -13.224   3.339   1.120
    7    HB3  ALA   1           HB3      ALA   1 -13.426   2.966   2.832
    8    H    PHE   2           HN       PHE   2 -13.891   1.197  -0.559
    9    HA   PHE   2           HA       PHE   2 -13.252  -1.421   0.558
   10    HB2  PHE   2           HB2      PHE   2 -14.323  -1.568  -1.554
   11    HB3  PHE   2           HB1      PHE   2 -13.311  -0.305  -2.243
   12    HD1  PHE   2           HD1      PHE   2 -11.295  -0.830  -3.319
   13    HD2  PHE   2           HD2      PHE   2 -13.314  -3.774  -1.015
   14    HE1  PHE   2           HE1      PHE   2  -9.784  -2.555  -4.198
   15    HE2  PHE   2           HE2      PHE   2 -11.818  -5.502  -1.892
   16    HZ   PHE   2           HZ       PHE   2 -10.008  -4.848  -3.528
   17    H    CYS   3           HN       CYS   3 -11.323  -1.754   1.405
   18    HA   CYS   3           HA       CYS   3  -9.097  -0.039   0.594
   19    HB2  CYS   3           HB2      CYS   3  -9.721  -1.575   3.063
   20    HB3  CYS   3           HB1      CYS   3  -8.030  -1.362   2.638
   21    H    TRP   4           HN       TRP   4  -7.373  -0.757  -0.389
   22    HA   TRP   4           HA       TRP   4  -6.982  -3.654  -0.717
   23    HB2  TRP   4           HB2      TRP   4  -6.225  -3.266  -3.016
   24    HB3  TRP   4           HB1      TRP   4  -7.870  -2.679  -2.815
   25    HD1  TRP   4           HD1      TRP   4  -4.262  -1.331  -3.082
   26    HE1  TRP   4           HE1      TRP   4  -4.364   1.068  -4.006
   27    HE3  TRP   4           HE3      TRP   4  -9.337  -0.681  -3.190
   28    HZ2  TRP   4           HZ2      TRP   4  -6.267   2.947  -4.688
   29    HZ3  TRP   4           HZ3      TRP   4 -10.221   1.469  -4.008
   30    HH2  TRP   4           HH2      TRP   4  -8.718   3.250  -4.746
   31    H    ASN   5           HN       ASN   5  -4.559  -3.827  -1.760
   32    HA   ASN   5           HA       ASN   5  -2.893  -2.312   0.121
   33    HB2  ASN   5           HB2      ASN   5  -1.220  -4.088  -0.145
   34    HB3  ASN   5           HB1      ASN   5  -2.766  -4.732   0.394
   35   HD21  ASN   5          HD21      ASN   5  -0.435  -4.629  -2.154
   36   HD22  ASN   5          HD22      ASN   5  -1.139  -5.876  -3.124
   37    H    VAL   6           HN       VAL   6  -1.472  -0.881  -0.568
   38    HA   VAL   6           HA       VAL   6  -0.641  -0.961  -3.397
   39    HB   VAL   6           HB       VAL   6  -0.630   1.477  -1.601
   40   HG11  VAL   6          HG11      VAL   6  -0.151   1.193  -4.564
   41   HG12  VAL   6          HG12      VAL   6   1.091   1.460  -3.344
   42   HG13  VAL   6          HG13      VAL   6  -0.128   2.699  -3.645
   43   HG21  VAL   6          HG21      VAL   6  -2.538   0.769  -3.833
   44   HG22  VAL   6          HG22      VAL   6  -2.500   2.301  -2.964
   45   HG23  VAL   6          HG23      VAL   6  -2.928   0.816  -2.116
   46    H    CYS   7           HN       CYS   7   1.242  -2.010  -3.401
   47    HA   CYS   7           HA       CYS   7   3.126  -1.675  -1.208
   48    HB2  CYS   7           HB2      CYS   7   2.978  -3.553  -3.543
   49    HB3  CYS   7           HB1      CYS   7   4.437  -3.418  -2.576
   50    H    VAL   8           HN       VAL   8   4.472  -0.032  -1.286
   51    HA   VAL   8           HA       VAL   8   5.521   0.825  -3.910
   52    HB   VAL   8           HB       VAL   8   5.280   2.387  -1.339
   53   HG11  VAL   8          HG11      VAL   8   6.394   3.220  -4.008
   54   HG12  VAL   8          HG12      VAL   8   7.263   3.114  -2.473
   55   HG13  VAL   8          HG13      VAL   8   6.007   4.333  -2.696
   56   HG21  VAL   8          HG21      VAL   8   3.819   2.671  -3.957
   57   HG22  VAL   8          HG22      VAL   8   3.663   3.755  -2.576
   58   HG23  VAL   8          HG23      VAL   8   3.140   2.076  -2.442
   59    H    TYR   9           HN       TYR   9   7.663   0.772  -4.252
   60    HA   TYR   9           HA       TYR   9   9.396  -0.238  -2.167
   61    HB2  TYR   9           HB2      TYR   9   9.574   0.106  -5.102
   62    HB3  TYR   9           HB1      TYR   9  11.078   0.258  -4.210
   63    HD1  TYR   9           HD1      TYR   9   8.401  -2.018  -5.222
   64    HD2  TYR   9           HD2      TYR   9  12.023  -1.639  -3.027
   65    HE1  TYR   9           HE1      TYR   9   8.589  -4.466  -5.123
   66    HE2  TYR   9           HE2      TYR   9  12.225  -4.084  -2.920
   67    HH   TYR   9           HH       TYR   9  10.815  -6.061  -3.074
   68    H    ARG  10           HN       ARG  10   9.783   1.248  -0.682
   69    HA   ARG  10           HA       ARG  10  10.738   3.884  -1.588
   70    HB2  ARG  10           HB2      ARG  10   8.520   3.816  -0.375
   71    HB3  ARG  10           HB1      ARG  10   9.394   3.261   1.043
   72    HG2  ARG  10           HG2      ARG  10  10.691   5.329   1.057
   73    HG3  ARG  10           HG1      ARG  10   9.821   5.877  -0.379
   74    HD2  ARG  10           HD2      ARG  10   7.707   5.719   0.899
   75    HD3  ARG  10           HD1      ARG  10   8.640   5.301   2.334
   76    HE   ARG  10           HE       ARG  10   9.711   7.661   1.429
   77   HH11  ARG  10          HH11      ARG  10   6.554   6.569   2.475
   78   HH12  ARG  10          HH12      ARG  10   6.071   8.130   3.056
   79   HH21  ARG  10          HH21      ARG  10   9.076   9.715   2.188
   80   HH22  ARG  10          HH22      ARG  10   7.503   9.917   2.894
   81    H    ASN  11           HN       ASN  11  12.852   4.027  -1.336
   82    HA   ASN  11           HA       ASN  11  14.978   3.720  -0.617
   83    HB2  ASN  11           HB2      ASN  11  13.610   3.239   2.039
   84    HB3  ASN  11           HB1      ASN  11  15.357   3.301   1.843
   85   HD21  ASN  11          HD21      ASN  11  12.433   5.112   2.002
   86   HD22  ASN  11          HD22      ASN  11  13.155   6.684   1.980
   87    H    ALA  12           HN       ALA  12  13.663   1.637  -1.881
   88    HA   ALA  12           HA       ALA  12  13.919  -0.529  -2.475
   89    HB1  ALA  12           HB1      ALA  12  15.870  -1.771  -1.759
   90    HB2  ALA  12           HB2      ALA  12  16.186  -0.584  -0.492
   91    HB3  ALA  12           HB3      ALA  12  16.312  -0.117  -2.188
   92    H    VAL  13           HN       VAL  13  12.648   0.412   0.286
   93    HA   VAL  13           HA       VAL  13  12.144  -2.310   1.267
   94    HB   VAL  13           HB       VAL  13  11.334   0.275   2.583
   95   HG11  VAL  13          HG11      VAL  13  11.054  -1.124   4.581
   96   HG12  VAL  13          HG12      VAL  13  11.465  -2.547   3.625
   97   HG13  VAL  13          HG13      VAL  13  10.004  -1.630   3.259
   98   HG21  VAL  13          HG21      VAL  13  13.754  -1.434   3.144
   99   HG22  VAL  13          HG22      VAL  13  13.221  -0.066   4.122
  100   HG23  VAL  13          HG23      VAL  13  13.760   0.191   2.462
  101    H    ARG  14           HN       ARG  14  10.316  -3.239   0.694
  102    HA   ARG  14           HA       ARG  14   8.361  -1.776  -0.808
  103    HB2  ARG  14           HB2      ARG  14   9.092  -4.101  -1.383
  104    HB3  ARG  14           HB1      ARG  14   8.275  -4.664   0.071
  105    HG2  ARG  14           HG2      ARG  14   6.158  -3.813  -0.791
  106    HG3  ARG  14           HG1      ARG  14   6.993  -3.246  -2.234
  107    HD2  ARG  14           HD2      ARG  14   5.888  -5.338  -2.699
  108    HD3  ARG  14           HD1      ARG  14   7.634  -5.562  -2.755
  109    HE   ARG  14           HE       ARG  14   7.242  -6.364  -0.314
  110   HH11  ARG  14          HH11      ARG  14   5.096  -6.891  -3.033
  111   HH12  ARG  14          HH12      ARG  14   4.498  -8.401  -2.432
  112   HH21  ARG  14          HH21      ARG  14   6.453  -8.358   0.481
  113   HH22  ARG  14          HH22      ARG  14   5.261  -9.230  -0.430
  114    H    VAL  15           HN       VAL  15   7.174  -0.453   0.409
  115    HA   VAL  15           HA       VAL  15   5.911  -1.523   2.829
  116    HB   VAL  15           HB       VAL  15   5.248   0.861   3.256
  117   HG11  VAL  15          HG11      VAL  15   7.504   1.567   3.975
  118   HG12  VAL  15          HG12      VAL  15   8.194   0.257   3.017
  119   HG13  VAL  15          HG13      VAL  15   7.152  -0.110   4.391
  120   HG21  VAL  15          HG21      VAL  15   7.144   1.439   0.982
  121   HG22  VAL  15          HG22      VAL  15   6.425   2.635   2.060
  122   HG23  VAL  15          HG23      VAL  15   5.399   1.703   0.971
  123    H    CYS  16           HN       CYS  16   3.932  -2.332   2.592
  124    HA   CYS  16           HA       CYS  16   2.290  -1.318   0.398
  125    HB2  CYS  16           HB2      CYS  16   2.657  -3.899   1.402
  126    HB3  CYS  16           HB1      CYS  16   1.048  -3.417   1.938
  127    H    HIS  17           HN       HIS  17   0.516  -0.185   0.684
  128    HA   HIS  17           HA       HIS  17  -0.101   0.647   3.441
  129    HB2  HIS  17           HB2      HIS  17  -0.914   2.123   0.941
  130    HB3  HIS  17           HB1      HIS  17  -0.831   2.735   2.585
  131    HD1  HIS  17           HD1      HIS  17   0.716   3.465  -0.319
  132    HD2  HIS  17           HD2      HIS  17   2.267   2.167   3.312
  133    HE1  HIS  17           HE1      HIS  17   3.119   4.186  -0.314
  134    HE2  HIS  17           HE2      HIS  17   3.955   3.614   1.994
  135    H    ARG  18           HN       ARG  18  -2.260   0.715   4.110
  136    HA   ARG  18           HA       ARG  18  -4.104  -0.889   2.539
  137    HB2  ARG  18           HB2      ARG  18  -3.792  -1.145   5.046
  138    HB3  ARG  18           HB1      ARG  18  -4.587   0.411   5.221
  139    HG2  ARG  18           HG2      ARG  18  -6.193  -1.302   5.596
  140    HG3  ARG  18           HG1      ARG  18  -6.557  -0.531   4.050
  141    HD2  ARG  18           HD2      ARG  18  -5.543  -2.353   2.845
  142    HD3  ARG  18           HD1      ARG  18  -4.998  -3.094   4.348
  143    HE   ARG  18           HE       ARG  18  -7.720  -2.891   4.598
  144   HH11  ARG  18          HH11      ARG  18  -5.530  -4.397   2.326
  145   HH12  ARG  18          HH12      ARG  18  -6.613  -5.698   1.948
  146   HH21  ARG  18          HH21      ARG  18  -9.151  -4.599   4.101
  147   HH22  ARG  18          HH22      ARG  18  -8.678  -5.808   2.951
  148    H    ARG  19           HN       ARG  19  -4.922   0.252   0.905
  149    HA   ARG  19           HA       ARG  19  -5.598   3.070   1.361
  150    HB2  ARG  19           HB2      ARG  19  -3.932   3.047  -0.231
  151    HB3  ARG  19           HB1      ARG  19  -4.472   1.534  -0.930
  152    HG2  ARG  19           HG2      ARG  19  -4.772   3.377  -2.452
  153    HG3  ARG  19           HG1      ARG  19  -6.316   2.664  -2.015
  154    HD2  ARG  19           HD2      ARG  19  -6.306   5.137  -2.118
  155    HD3  ARG  19           HD1      ARG  19  -6.818   4.479  -0.569
  156    HE   ARG  19           HE       ARG  19  -4.019   5.255  -0.801
  157   HH11  ARG  19          HH11      ARG  19  -7.250   6.087   0.248
  158   HH12  ARG  19          HH12      ARG  19  -6.719   7.290   1.374
  159   HH21  ARG  19          HH21      ARG  19  -3.308   6.858   0.678
  160   HH22  ARG  19          HH22      ARG  19  -4.474   7.725   1.629
  161    H    CYS  20           HN       CYS  20  -7.612   3.684   1.240
  162    HA   CYS  20           HA       CYS  20  -9.622   1.873   0.080
  163    HB2  CYS  20           HB2      CYS  20  -9.593   3.630   2.461
  164    HB3  CYS  20           HB1      CYS  20 -11.082   3.653   1.527
  165    H    ASN  21           HN       ASN  21 -11.452   2.895  -1.013
  166    HA   ASN  21           HA       ASN  21 -10.627   5.278  -2.475
  167    HB2  ASN  21           HB2      ASN  21 -12.553   4.794  -3.963
  168    HB3  ASN  21           HB1      ASN  21 -11.409   3.464  -3.869
  169   HD21  ASN  21          HD21      ASN  21 -14.295   3.636  -4.558
  170   HD22  ASN  21          HD22      ASN  21 -15.067   2.464  -3.551
  Start of MODEL   11
    1    H1   ALA   1           HT1      ALA   1 -16.538   0.320  -0.135
    2    H2   ALA   1           HT2      ALA   1 -17.024   0.819   1.405
    3    H3   ALA   1           HT3      ALA   1 -15.930  -0.459   1.240
    4    HA   ALA   1           HA       ALA   1 -15.449   2.360   0.519
    5    HB1  ALA   1           HB1      ALA   1 -14.253   0.679   2.708
    6    HB2  ALA   1           HB2      ALA   1 -15.443   1.961   2.930
    7    HB3  ALA   1           HB3      ALA   1 -13.827   2.347   2.335
    8    H    PHE   2           HN       PHE   2 -14.742  -0.859  -0.090
    9    HA   PHE   2           HA       PHE   2 -13.075  -1.992  -1.151
   10    HB2  PHE   2           HB2      PHE   2 -14.211  -0.820  -2.993
   11    HB3  PHE   2           HB1      PHE   2 -13.074   0.515  -2.836
   12    HD1  PHE   2           HD1      PHE   2 -11.162   0.525  -4.115
   13    HD2  PHE   2           HD2      PHE   2 -13.174  -3.151  -3.412
   14    HE1  PHE   2           HE1      PHE   2  -9.629  -0.606  -5.663
   15    HE2  PHE   2           HE2      PHE   2 -11.653  -4.288  -4.961
   16    HZ   PHE   2           HZ       PHE   2  -9.858  -3.005  -6.091
   17    H    CYS   3           HN       CYS   3 -11.477  -2.124   0.371
   18    HA   CYS   3           HA       CYS   3  -9.350  -0.099   0.227
   19    HB2  CYS   3           HB2      CYS   3  -9.775  -2.160   2.393
   20    HB3  CYS   3           HB1      CYS   3  -8.677  -0.787   2.434
   21    H    TRP   4           HN       TRP   4  -7.294  -0.672  -0.320
   22    HA   TRP   4           HA       TRP   4  -6.732  -3.507  -0.778
   23    HB2  TRP   4           HB2      TRP   4  -5.932  -3.130  -3.026
   24    HB3  TRP   4           HB1      TRP   4  -7.593  -2.568  -2.910
   25    HD1  TRP   4           HD1      TRP   4  -4.074  -1.377  -3.655
   26    HE1  TRP   4           HE1      TRP   4  -4.167   1.060  -4.473
   27    HE3  TRP   4           HE3      TRP   4  -8.957  -0.322  -2.553
   28    HZ2  TRP   4           HZ2      TRP   4  -6.029   3.147  -4.608
   29    HZ3  TRP   4           HZ3      TRP   4  -9.812   1.928  -3.058
   30    HH2  TRP   4           HH2      TRP   4  -8.382   3.625  -4.066
   31    H    ASN   5           HN       ASN   5  -4.394  -3.802  -1.444
   32    HA   ASN   5           HA       ASN   5  -2.775  -2.222   0.408
   33    HB2  ASN   5           HB2      ASN   5  -2.269  -4.886  -0.925
   34    HB3  ASN   5           HB1      ASN   5  -1.100  -4.068   0.106
   35   HD21  ASN   5          HD21      ASN   5  -2.341  -6.655   0.455
   36   HD22  ASN   5          HD22      ASN   5  -3.170  -6.600   1.972
   37    H    VAL   6           HN       VAL   6  -1.861  -0.510  -0.489
   38    HA   VAL   6           HA       VAL   6  -0.769  -0.659  -3.198
   39    HB   VAL   6           HB       VAL   6  -0.683   1.691  -1.304
   40   HG11  VAL   6          HG11      VAL   6  -0.395   1.531  -4.299
   41   HG12  VAL   6          HG12      VAL   6   0.920   1.760  -3.148
   42   HG13  VAL   6          HG13      VAL   6  -0.322   3.002  -3.329
   43   HG21  VAL   6          HG21      VAL   6  -2.755   1.027  -3.386
   44   HG22  VAL   6          HG22      VAL   6  -2.622   2.573  -2.552
   45   HG23  VAL   6          HG23      VAL   6  -3.001   1.111  -1.643
   46    H    CYS   7           HN       CYS   7   1.162  -1.623  -3.303
   47    HA   CYS   7           HA       CYS   7   3.013  -1.332  -1.046
   48    HB2  CYS   7           HB2      CYS   7   3.038  -3.319  -3.327
   49    HB3  CYS   7           HB1      CYS   7   4.168  -3.299  -1.977
   50    H    VAL   8           HN       VAL   8   4.483   0.201  -1.232
   51    HA   VAL   8           HA       VAL   8   5.477   0.882  -3.930
   52    HB   VAL   8           HB       VAL   8   5.513   2.569  -1.422
   53   HG11  VAL   8          HG11      VAL   8   7.391   3.138  -2.807
   54   HG12  VAL   8          HG12      VAL   8   6.175   4.407  -2.957
   55   HG13  VAL   8          HG13      VAL   8   6.362   3.212  -4.240
   56   HG21  VAL   8          HG21      VAL   8   3.836   3.959  -2.549
   57   HG22  VAL   8          HG22      VAL   8   3.253   2.317  -2.268
   58   HG23  VAL   8          HG23      VAL   8   3.786   2.802  -3.878
   59    H    TYR   9           HN       TYR   9   7.625   0.710  -4.334
   60    HA   TYR   9           HA       TYR   9   9.315  -0.284  -2.177
   61    HB2  TYR   9           HB2      TYR   9   9.326  -0.502  -5.107
   62    HB3  TYR   9           HB1      TYR   9  10.911  -0.224  -4.398
   63    HD1  TYR   9           HD1      TYR   9   8.222  -2.598  -4.880
   64    HD2  TYR   9           HD2      TYR   9  11.822  -1.837  -2.747
   65    HE1  TYR   9           HE1      TYR   9   8.374  -4.980  -4.298
   66    HE2  TYR   9           HE2      TYR   9  11.993  -4.217  -2.164
   67    HH   TYR   9           HH       TYR   9  10.202  -6.610  -3.674
   68    H    ARG  10           HN       ARG  10   9.857   1.421  -0.962
   69    HA   ARG  10           HA       ARG  10  11.224   3.628  -2.329
   70    HB2  ARG  10           HB2      ARG  10  10.433   5.122  -0.601
   71    HB3  ARG  10           HB1      ARG  10   9.067   4.303  -1.329
   72    HG2  ARG  10           HG2      ARG  10   9.084   2.719   0.580
   73    HG3  ARG  10           HG1      ARG  10  10.332   3.710   1.331
   74    HD2  ARG  10           HD2      ARG  10   7.559   4.627   0.575
   75    HD3  ARG  10           HD1      ARG  10   8.117   4.261   2.205
   76    HE   ARG  10           HE       ARG  10   9.812   6.200   1.107
   77   HH11  ARG  10          HH11      ARG  10   6.501   5.871   2.178
   78   HH12  ARG  10          HH12      ARG  10   6.338   7.540   2.612
   79   HH21  ARG  10          HH21      ARG  10   9.608   8.401   1.691
   80   HH22  ARG  10          HH22      ARG  10   8.101   8.982   2.330
   81    H    ASN  11           HN       ASN  11  13.251   3.959  -1.764
   82    HA   ASN  11           HA       ASN  11  15.321   3.557  -0.912
   83    HB2  ASN  11           HB2      ASN  11  13.840   3.159   1.702
   84    HB3  ASN  11           HB1      ASN  11  15.568   3.448   1.526
   85   HD21  ASN  11          HD21      ASN  11  12.436   4.840   1.607
   86   HD22  ASN  11          HD22      ASN  11  12.928   6.492   1.485
   87    H    ALA  12           HN       ALA  12  13.918   1.419  -2.092
   88    HA   ALA  12           HA       ALA  12  14.021  -0.804  -2.466
   89    HB1  ALA  12           HB1      ALA  12  15.915  -2.082  -1.647
   90    HB2  ALA  12           HB2      ALA  12  16.322  -0.785  -0.524
   91    HB3  ALA  12           HB3      ALA  12  16.433  -0.511  -2.263
   92    H    VAL  13           HN       VAL  13  12.630   0.407  -0.005
   93    HA   VAL  13           HA       VAL  13  12.172  -2.125   1.421
   94    HB   VAL  13           HB       VAL  13  11.332   0.648   2.267
   95   HG11  VAL  13          HG11      VAL  13  10.930  -0.379   4.445
   96   HG12  VAL  13          HG12      VAL  13  11.378  -1.951   3.785
   97   HG13  VAL  13          HG13      VAL  13   9.942  -1.120   3.187
   98   HG21  VAL  13          HG21      VAL  13  13.679  -0.986   3.221
   99   HG22  VAL  13          HG22      VAL  13  13.150   0.552   3.902
  100   HG23  VAL  13          HG23      VAL  13  13.765   0.485   2.250
  101    H    ARG  14           HN       ARG  14  10.307  -3.138   1.113
  102    HA   ARG  14           HA       ARG  14   8.340  -2.007  -0.666
  103    HB2  ARG  14           HB2      ARG  14   9.137  -4.438  -0.662
  104    HB3  ARG  14           HB1      ARG  14   8.150  -4.640   0.783
  105    HG2  ARG  14           HG2      ARG  14   6.226  -3.731  -0.584
  106    HG3  ARG  14           HG1      ARG  14   7.272  -3.947  -1.987
  107    HD2  ARG  14           HD2      ARG  14   6.374  -6.088  -0.069
  108    HD3  ARG  14           HD1      ARG  14   5.829  -5.870  -1.730
  109    HE   ARG  14           HE       ARG  14   8.582  -6.172  -1.841
  110   HH11  ARG  14          HH11      ARG  14   5.806  -8.051  -0.835
  111   HH12  ARG  14          HH12      ARG  14   6.565  -9.581  -1.152
  112   HH21  ARG  14          HH21      ARG  14   9.584  -8.186  -2.263
  113   HH22  ARG  14          HH22      ARG  14   8.715  -9.656  -1.954
  114    H    VAL  15           HN       VAL  15   6.873  -0.653   0.158
  115    HA   VAL  15           HA       VAL  15   5.860  -1.247   2.851
  116    HB   VAL  15           HB       VAL  15   7.111   0.886   2.662
  117   HG11  VAL  15          HG11      VAL  15   6.153   2.808   1.561
  118   HG12  VAL  15          HG12      VAL  15   4.827   1.818   0.951
  119   HG13  VAL  15          HG13      VAL  15   6.475   1.523   0.394
  120   HG21  VAL  15          HG21      VAL  15   5.482   2.233   3.878
  121   HG22  VAL  15          HG22      VAL  15   5.460   0.550   4.403
  122   HG23  VAL  15          HG23      VAL  15   4.194   1.157   3.337
  123    H    CYS  16           HN       CYS  16   3.959  -2.177   2.777
  124    HA   CYS  16           HA       CYS  16   2.127  -1.501   0.601
  125    HB2  CYS  16           HB2      CYS  16   2.027  -3.766   2.600
  126    HB3  CYS  16           HB1      CYS  16   0.868  -3.499   1.300
  127    H    HIS  17           HN       HIS  17   0.660  -0.041   0.940
  128    HA   HIS  17           HA       HIS  17  -0.156   0.564   3.696
  129    HB2  HIS  17           HB2      HIS  17  -0.950   2.154   1.272
  130    HB3  HIS  17           HB1      HIS  17  -0.901   2.676   2.945
  131    HD1  HIS  17           HD1      HIS  17   0.688   3.521   0.054
  132    HD2  HIS  17           HD2      HIS  17   2.159   2.269   3.732
  133    HE1  HIS  17           HE1      HIS  17   3.059   4.340   0.148
  134    HE2  HIS  17           HE2      HIS  17   3.821   3.806   2.488
  135    H    ARG  18           HN       ARG  18  -2.253   0.348   4.345
  136    HA   ARG  18           HA       ARG  18  -4.084  -0.951   2.479
  137    HB2  ARG  18           HB2      ARG  18  -3.699  -1.871   4.809
  138    HB3  ARG  18           HB1      ARG  18  -4.482  -0.426   5.432
  139    HG2  ARG  18           HG2      ARG  18  -6.083  -2.187   5.384
  140    HG3  ARG  18           HG1      ARG  18  -6.500  -1.026   4.122
  141    HD2  ARG  18           HD2      ARG  18  -5.497  -2.441   2.438
  142    HD3  ARG  18           HD1      ARG  18  -4.957  -3.576   3.674
  143    HE   ARG  18           HE       ARG  18  -7.763  -3.254   3.808
  144   HH11  ARG  18          HH11      ARG  18  -5.255  -4.730   1.871
  145   HH12  ARG  18          HH12      ARG  18  -6.285  -5.983   1.252
  146   HH21  ARG  18          HH21      ARG  18  -9.136  -4.910   2.994
  147   HH22  ARG  18          HH22      ARG  18  -8.486  -6.092   1.901
  148    H    ARG  19           HN       ARG  19  -4.937   0.615   1.214
  149    HA   ARG  19           HA       ARG  19  -6.047   2.972   2.584
  150    HB2  ARG  19           HB2      ARG  19  -5.274   4.364   0.953
  151    HB3  ARG  19           HB1      ARG  19  -4.059   3.106   0.798
  152    HG2  ARG  19           HG2      ARG  19  -4.572   3.140  -1.370
  153    HG3  ARG  19           HG1      ARG  19  -6.013   2.232  -0.909
  154    HD2  ARG  19           HD2      ARG  19  -6.674   4.099  -2.276
  155    HD3  ARG  19           HD1      ARG  19  -7.216   4.382  -0.619
  156    HE   ARG  19           HE       ARG  19  -4.661   5.553  -1.386
  157   HH11  ARG  19          HH11      ARG  19  -8.096   6.017  -0.863
  158   HH12  ARG  19          HH12      ARG  19  -7.971   7.745  -0.759
  159   HH21  ARG  19          HH21      ARG  19  -4.501   7.830  -1.249
  160   HH22  ARG  19          HH22      ARG  19  -5.928   8.772  -0.963
  161    H    CYS  20           HN       CYS  20  -7.973   3.863   1.634
  162    HA   CYS  20           HA       CYS  20  -9.598   1.821   0.271
  163    HB2  CYS  20           HB2      CYS  20 -10.573   3.753   2.379
  164    HB3  CYS  20           HB1      CYS  20 -11.494   2.453   1.632
  165    H    ASN  21           HN       ASN  21 -11.487   2.748  -0.878
  166    HA   ASN  21           HA       ASN  21 -10.638   5.002  -2.441
  167    HB2  ASN  21           HB2      ASN  21 -11.798   3.217  -3.571
  168    HB3  ASN  21           HB1      ASN  21 -13.176   3.363  -2.487
  169   HD21  ASN  21          HD21      ASN  21 -11.477   4.771  -5.163
  170   HD22  ASN  21          HD22      ASN  21 -12.735   5.851  -5.655
  Start of MODEL   12
    1    H1   ALA   1           HT1      ALA   1 -17.390   0.630  -0.737
    2    H2   ALA   1           HT2      ALA   1 -17.007   0.810  -2.372
    3    H3   ALA   1           HT3      ALA   1 -17.538   2.143  -1.476
    4    HA   ALA   1           HA       ALA   1 -15.162   2.227  -1.841
    5    HB1  ALA   1           HB1      ALA   1 -16.126   3.202   0.200
    6    HB2  ALA   1           HB2      ALA   1 -14.491   2.594   0.457
    7    HB3  ALA   1           HB3      ALA   1 -15.874   1.668   1.037
    8    H    PHE   2           HN       PHE   2 -13.374   1.114  -2.221
    9    HA   PHE   2           HA       PHE   2 -13.226  -1.650  -1.199
   10    HB2  PHE   2           HB2      PHE   2 -13.532  -1.588  -3.618
   11    HB3  PHE   2           HB1      PHE   2 -12.160  -0.500  -3.790
   12    HD1  PHE   2           HD1      PHE   2 -10.112  -1.359  -4.293
   13    HD2  PHE   2           HD2      PHE   2 -13.017  -3.881  -2.487
   14    HE1  PHE   2           HE1      PHE   2  -8.603  -3.269  -4.555
   15    HE2  PHE   2           HE2      PHE   2 -11.514  -5.806  -2.748
   16    HZ   PHE   2           HZ       PHE   2  -9.297  -5.507  -3.785
   17    H    CYS   3           HN       CYS   3 -11.551  -2.140   0.060
   18    HA   CYS   3           HA       CYS   3  -9.326  -0.231   0.252
   19    HB2  CYS   3           HB2      CYS   3 -10.142  -2.440   2.153
   20    HB3  CYS   3           HB1      CYS   3  -8.842  -1.283   2.418
   21    H    TRP   4           HN       TRP   4  -7.208  -0.885   0.001
   22    HA   TRP   4           HA       TRP   4  -6.557  -3.664  -0.369
   23    HB2  TRP   4           HB2      TRP   4  -5.756  -3.540  -2.626
   24    HB3  TRP   4           HB1      TRP   4  -7.419  -2.975  -2.620
   25    HD1  TRP   4           HD1      TRP   4  -3.841  -1.773  -3.236
   26    HE1  TRP   4           HE1      TRP   4  -3.941   0.505  -4.424
   27    HE3  TRP   4           HE3      TRP   4  -8.848  -0.836  -2.809
   28    HZ2  TRP   4           HZ2      TRP   4  -5.864   2.445  -5.074
   29    HZ3  TRP   4           HZ3      TRP   4  -9.733   1.255  -3.739
   30    HH2  TRP   4           HH2      TRP   4  -8.274   2.865  -4.849
   31    H    ASN   5           HN       ASN   5  -4.156  -3.834  -1.022
   32    HA   ASN   5           HA       ASN   5  -2.734  -1.948   0.707
   33    HB2  ASN   5           HB2      ASN   5  -2.060  -4.738  -0.225
   34    HB3  ASN   5           HB1      ASN   5  -0.902  -3.708   0.612
   35   HD21  ASN   5          HD21      ASN   5  -1.955  -6.246   1.446
   36   HD22  ASN   5          HD22      ASN   5  -2.761  -5.982   2.951
   37    H    VAL   6           HN       VAL   6  -1.851  -0.328  -0.321
   38    HA   VAL   6           HA       VAL   6  -0.751  -0.651  -2.995
   39    HB   VAL   6           HB       VAL   6  -0.741   1.782  -1.200
   40   HG11  VAL   6          HG11      VAL   6   1.023   1.813  -2.891
   41   HG12  VAL   6          HG12      VAL   6  -0.215   3.020  -3.240
   42   HG13  VAL   6          HG13      VAL   6  -0.174   1.510  -4.150
   43   HG21  VAL   6          HG21      VAL   6  -2.594   1.080  -3.471
   44   HG22  VAL   6          HG22      VAL   6  -2.568   2.613  -2.599
   45   HG23  VAL   6          HG23      VAL   6  -3.016   1.128  -1.760
   46    H    CYS   7           HN       CYS   7   1.164  -1.616  -3.080
   47    HA   CYS   7           HA       CYS   7   3.042  -1.269  -0.868
   48    HB2  CYS   7           HB2      CYS   7   3.043  -3.276  -3.125
   49    HB3  CYS   7           HB1      CYS   7   4.176  -3.252  -1.780
   50    H    VAL   8           HN       VAL   8   4.479   0.256  -1.085
   51    HA   VAL   8           HA       VAL   8   5.371   1.048  -3.777
   52    HB   VAL   8           HB       VAL   8   5.479   2.546  -1.162
   53   HG11  VAL   8          HG11      VAL   8   6.280   4.469  -2.447
   54   HG12  VAL   8          HG12      VAL   8   6.373   3.455  -3.889
   55   HG13  VAL   8          HG13      VAL   8   7.416   3.121  -2.504
   56   HG21  VAL   8          HG21      VAL   8   3.829   3.017  -3.635
   57   HG22  VAL   8          HG22      VAL   8   3.873   4.068  -2.221
   58   HG23  VAL   8          HG23      VAL   8   3.238   2.428  -2.082
   59    H    TYR   9           HN       TYR   9   7.459   0.847  -4.335
   60    HA   TYR   9           HA       TYR   9   9.323  -0.258  -2.403
   61    HB2  TYR   9           HB2      TYR   9   9.179  -0.095  -5.342
   62    HB3  TYR   9           HB1      TYR   9  10.791   0.106  -4.671
   63    HD1  TYR   9           HD1      TYR   9   7.932  -2.193  -4.967
   64    HD2  TYR   9           HD2      TYR   9  11.955  -1.727  -3.674
   65    HE1  TYR   9           HE1      TYR   9   8.131  -4.630  -4.722
   66    HE2  TYR   9           HE2      TYR   9  12.171  -4.162  -3.427
   67    HH   TYR   9           HH       TYR   9  10.698  -6.117  -3.083
   68    H    ARG  10           HN       ARG  10   9.905   1.264  -1.032
   69    HA   ARG  10           HA       ARG  10  11.072   3.740  -2.110
   70    HB2  ARG  10           HB2      ARG  10   8.865   4.112  -1.060
   71    HB3  ARG  10           HB1      ARG  10   9.449   3.368   0.418
   72    HG2  ARG  10           HG2      ARG  10   9.425   5.740   0.650
   73    HG3  ARG  10           HG1      ARG  10  11.097   5.180   0.647
   74    HD2  ARG  10           HD2      ARG  10  11.323   5.849  -1.683
   75    HD3  ARG  10           HD1      ARG  10   9.633   6.353  -1.716
   76    HE   ARG  10           HE       ARG  10  11.319   7.632   0.278
   77   HH11  ARG  10          HH11      ARG  10   9.842   7.818  -2.895
   78   HH12  ARG  10          HH12      ARG  10  10.011   9.540  -3.011
   79   HH21  ARG  10          HH21      ARG  10  11.541   9.905   0.121
   80   HH22  ARG  10          HH22      ARG  10  10.991  10.727  -1.306
   81    H    ASN  11           HN       ASN  11  13.162   3.913  -1.610
   82    HA   ASN  11           HA       ASN  11  15.206   3.525  -0.693
   83    HB2  ASN  11           HB2      ASN  11  13.625   2.795   1.787
   84    HB3  ASN  11           HB1      ASN  11  15.369   3.018   1.731
   85   HD21  ASN  11          HD21      ASN  11  13.293   4.410   3.250
   86   HD22  ASN  11          HD22      ASN  11  13.465   6.086   2.862
   87    H    ALA  12           HN       ALA  12  13.790   1.522  -2.149
   88    HA   ALA  12           HA       ALA  12  13.928  -0.640  -2.797
   89    HB1  ALA  12           HB1      ALA  12  15.819  -2.002  -2.109
   90    HB2  ALA  12           HB2      ALA  12  16.197  -0.854  -0.824
   91    HB3  ALA  12           HB3      ALA  12  16.343  -0.367  -2.511
   92    H    VAL  13           HN       VAL  13  12.618   0.305  -0.109
   93    HA   VAL  13           HA       VAL  13  12.090  -2.391   0.938
   94    HB   VAL  13           HB       VAL  13  11.328   0.231   2.216
   95   HG11  VAL  13          HG11      VAL  13   9.982  -1.668   2.919
   96   HG12  VAL  13          HG12      VAL  13  11.025  -1.123   4.231
   97   HG13  VAL  13          HG13      VAL  13  11.443  -2.571   3.316
   98   HG21  VAL  13          HG21      VAL  13  13.748   0.118   2.081
   99   HG22  VAL  13          HG22      VAL  13  13.729  -1.504   2.774
  100   HG23  VAL  13          HG23      VAL  13  13.219  -0.123   3.747
  101    H    ARG  14           HN       ARG  14  10.201  -3.293   0.522
  102    HA   ARG  14           HA       ARG  14   8.178  -1.850  -0.928
  103    HB2  ARG  14           HB2      ARG  14   8.826  -4.153  -1.542
  104    HB3  ARG  14           HB1      ARG  14   8.268  -4.719   0.025
  105    HG2  ARG  14           HG2      ARG  14   6.002  -3.956  -0.535
  106    HG3  ARG  14           HG1      ARG  14   6.600  -3.465  -2.117
  107    HD2  ARG  14           HD2      ARG  14   5.495  -5.650  -2.196
  108    HD3  ARG  14           HD1      ARG  14   7.197  -5.753  -2.638
  109    HE   ARG  14           HE       ARG  14   7.377  -6.380  -0.089
  110   HH11  ARG  14          HH11      ARG  14   4.931  -7.391  -2.379
  111   HH12  ARG  14          HH12      ARG  14   4.665  -8.923  -1.610
  112   HH21  ARG  14          HH21      ARG  14   7.032  -8.392   0.922
  113   HH22  ARG  14          HH22      ARG  14   5.858  -9.488   0.273
  114    H    VAL  15           HN       VAL  15   7.065  -0.483   0.369
  115    HA   VAL  15           HA       VAL  15   6.031  -1.523   2.915
  116    HB   VAL  15           HB       VAL  15   5.427   0.834   3.424
  117   HG11  VAL  15          HG11      VAL  15   7.521  -0.115   4.227
  118   HG12  VAL  15          HG12      VAL  15   7.716   1.595   3.846
  119   HG13  VAL  15          HG13      VAL  15   8.324   0.368   2.735
  120   HG21  VAL  15          HG21      VAL  15   5.192   1.717   1.184
  121   HG22  VAL  15          HG22      VAL  15   6.906   1.438   0.865
  122   HG23  VAL  15          HG23      VAL  15   6.414   2.634   2.065
  123    H    CYS  16           HN       CYS  16   3.987  -2.149   3.063
  124    HA   CYS  16           HA       CYS  16   2.200  -1.451   0.844
  125    HB2  CYS  16           HB2      CYS  16   2.042  -3.739   2.805
  126    HB3  CYS  16           HB1      CYS  16   0.894  -3.430   1.508
  127    H    HIS  17           HN       HIS  17   0.720   0.004   1.182
  128    HA   HIS  17           HA       HIS  17  -0.114   0.592   3.946
  129    HB2  HIS  17           HB2      HIS  17  -0.815   2.349   1.624
  130    HB3  HIS  17           HB1      HIS  17  -0.570   2.784   3.307
  131    HD1  HIS  17           HD1      HIS  17   0.915   3.273   0.178
  132    HD2  HIS  17           HD2      HIS  17   2.422   2.339   3.931
  133    HE1  HIS  17           HE1      HIS  17   3.335   3.934   0.117
  134    HE2  HIS  17           HE2      HIS  17   4.142   3.604   2.480
  135    H    ARG  18           HN       ARG  18  -2.275   0.483   4.508
  136    HA   ARG  18           HA       ARG  18  -4.055  -0.744   2.560
  137    HB2  ARG  18           HB2      ARG  18  -4.173  -1.736   4.737
  138    HB3  ARG  18           HB1      ARG  18  -4.367  -0.168   5.510
  139    HG2  ARG  18           HG2      ARG  18  -6.568   0.083   4.560
  140    HG3  ARG  18           HG1      ARG  18  -6.371  -1.400   3.625
  141    HD2  ARG  18           HD2      ARG  18  -6.364  -2.732   5.592
  142    HD3  ARG  18           HD1      ARG  18  -6.265  -1.313   6.632
  143    HE   ARG  18           HE       ARG  18  -8.578  -0.897   5.334
  144   HH11  ARG  18          HH11      ARG  18  -7.326  -3.701   7.019
  145   HH12  ARG  18          HH12      ARG  18  -8.893  -4.275   7.489
  146   HH21  ARG  18          HH21      ARG  18 -10.641  -1.653   5.958
  147   HH22  ARG  18          HH22      ARG  18 -10.781  -3.113   6.885
  148    H    ARG  19           HN       ARG  19  -5.002   0.577   1.194
  149    HA   ARG  19           HA       ARG  19  -6.024   3.134   2.235
  150    HB2  ARG  19           HB2      ARG  19  -5.362   4.235   0.346
  151    HB3  ARG  19           HB1      ARG  19  -4.139   2.974   0.350
  152    HG2  ARG  19           HG2      ARG  19  -4.767   2.737  -1.790
  153    HG3  ARG  19           HG1      ARG  19  -6.069   1.763  -1.099
  154    HD2  ARG  19           HD2      ARG  19  -6.999   3.346  -2.666
  155    HD3  ARG  19           HD1      ARG  19  -7.489   3.792  -1.028
  156    HE   ARG  19           HE       ARG  19  -5.100   5.107  -2.005
  157   HH11  ARG  19          HH11      ARG  19  -8.592   5.289  -1.657
  158   HH12  ARG  19          HH12      ARG  19  -8.645   7.008  -1.866
  159   HH21  ARG  19          HH21      ARG  19  -5.184   7.367  -2.281
  160   HH22  ARG  19          HH22      ARG  19  -6.709   8.189  -2.223
  161    H    CYS  20           HN       CYS  20  -8.026   3.864   1.220
  162    HA   CYS  20           HA       CYS  20  -9.648   1.665   0.154
  163    HB2  CYS  20           HB2      CYS  20 -10.498   3.536   2.368
  164    HB3  CYS  20           HB1      CYS  20 -11.494   2.280   1.637
  165    H    ASN  21           HN       ASN  21 -11.062   2.237  -1.395
  166    HA   ASN  21           HA       ASN  21 -11.409   5.100  -1.962
  167    HB2  ASN  21           HB2      ASN  21  -9.687   4.296  -3.481
  168    HB3  ASN  21           HB1      ASN  21 -10.697   2.935  -3.951
  169   HD21  ASN  21          HD21      ASN  21 -10.661   3.492  -6.100
  170   HD22  ASN  21          HD22      ASN  21 -11.544   4.839  -6.721
  Start of MODEL   13
    1    H1   ALA   1           HT1      ALA   1 -15.400   1.087   2.085
    2    H2   ALA   1           HT2      ALA   1 -16.748   0.076   2.104
    3    H3   ALA   1           HT3      ALA   1 -16.953   1.753   2.060
    4    HA   ALA   1           HA       ALA   1 -17.357   0.769  -0.094
    5    HB1  ALA   1           HB1      ALA   1 -15.881   2.213  -1.398
    6    HB2  ALA   1           HB2      ALA   1 -14.862   2.446   0.022
    7    HB3  ALA   1           HB3      ALA   1 -16.519   3.046   0.017
    8    H    PHE   2           HN       PHE   2 -13.944   0.984  -0.301
    9    HA   PHE   2           HA       PHE   2 -13.469  -1.847  -0.429
   10    HB2  PHE   2           HB2      PHE   2 -14.389  -1.462  -2.678
   11    HB3  PHE   2           HB1      PHE   2 -13.217  -0.180  -2.948
   12    HD1  PHE   2           HD1      PHE   2 -10.992  -0.659  -3.578
   13    HD2  PHE   2           HD2      PHE   2 -13.667  -3.799  -2.566
   14    HE1  PHE   2           HE1      PHE   2  -9.413  -2.292  -4.500
   15    HE2  PHE   2           HE2      PHE   2 -12.096  -5.443  -3.484
   16    HZ   PHE   2           HZ       PHE   2  -9.960  -4.694  -4.458
   17    H    CYS   3           HN       CYS   3 -11.436  -2.234   0.215
   18    HA   CYS   3           HA       CYS   3  -9.459  -0.072  -0.009
   19    HB2  CYS   3           HB2      CYS   3  -9.837  -1.771   2.466
   20    HB3  CYS   3           HB1      CYS   3  -8.726  -0.422   2.267
   21    H    TRP   4           HN       TRP   4  -7.270  -0.779  -0.090
   22    HA   TRP   4           HA       TRP   4  -6.772  -3.633  -0.269
   23    HB2  TRP   4           HB2      TRP   4  -5.945  -3.605  -2.536
   24    HB3  TRP   4           HB1      TRP   4  -7.592  -2.992  -2.537
   25    HD1  TRP   4           HD1      TRP   4  -4.002  -1.950  -3.264
   26    HE1  TRP   4           HE1      TRP   4  -4.022   0.321  -4.466
   27    HE3  TRP   4           HE3      TRP   4  -8.948  -0.751  -2.689
   28    HZ2  TRP   4           HZ2      TRP   4  -5.858   2.351  -5.073
   29    HZ3  TRP   4           HZ3      TRP   4  -9.748   1.384  -3.610
   30    HH2  TRP   4           HH2      TRP   4  -8.237   2.903  -4.777
   31    H    ASN   5           HN       ASN   5  -4.384  -3.973  -0.914
   32    HA   ASN   5           HA       ASN   5  -2.831  -2.105   0.709
   33    HB2  ASN   5           HB2      ASN   5  -1.127  -3.902   0.805
   34    HB3  ASN   5           HB1      ASN   5  -2.686  -4.413   1.439
   35   HD21  ASN   5          HD21      ASN   5  -3.907  -5.919   0.280
   36   HD22  ASN   5          HD22      ASN   5  -3.207  -6.903  -0.959
   37    H    VAL   6           HN       VAL   6  -1.626  -0.663  -0.232
   38    HA   VAL   6           HA       VAL   6  -0.691  -1.100  -2.985
   39    HB   VAL   6           HB       VAL   6  -0.631   1.474  -1.409
   40   HG11  VAL   6          HG11      VAL   6  -0.343   0.918  -4.357
   41   HG12  VAL   6          HG12      VAL   6   0.954   1.367  -3.249
   42   HG13  VAL   6          HG13      VAL   6  -0.339   2.514  -3.606
   43   HG21  VAL   6          HG21      VAL   6  -2.939   0.825  -1.644
   44   HG22  VAL   6          HG22      VAL   6  -2.709   0.507  -3.361
   45   HG23  VAL   6          HG23      VAL   6  -2.593   2.155  -2.749
   46    H    CYS   7           HN       CYS   7   1.275  -2.010  -3.018
   47    HA   CYS   7           HA       CYS   7   3.177  -1.398  -0.900
   48    HB2  CYS   7           HB2      CYS   7   2.857  -3.564  -2.866
   49    HB3  CYS   7           HB1      CYS   7   4.521  -3.091  -2.542
   50    H    VAL   8           HN       VAL   8   4.680   0.038  -1.072
   51    HA   VAL   8           HA       VAL   8   5.411   1.040  -3.751
   52    HB   VAL   8           HB       VAL   8   5.417   2.492  -1.101
   53   HG11  VAL   8          HG11      VAL   8   6.271   3.458  -3.823
   54   HG12  VAL   8          HG12      VAL   8   7.295   3.255  -2.401
   55   HG13  VAL   8          HG13      VAL   8   6.039   4.492  -2.414
   56   HG21  VAL   8          HG21      VAL   8   3.740   2.885  -3.573
   57   HG22  VAL   8          HG22      VAL   8   3.704   3.910  -2.139
   58   HG23  VAL   8          HG23      VAL   8   3.188   2.227  -2.033
   59    H    TYR   9           HN       TYR   9   7.520   1.105  -4.285
   60    HA   TYR   9           HA       TYR   9   9.445  -0.061  -2.439
   61    HB2  TYR   9           HB2      TYR   9   9.266   0.322  -5.364
   62    HB3  TYR   9           HB1      TYR   9  10.871   0.482  -4.677
   63    HD1  TYR   9           HD1      TYR   9   8.039  -1.803  -5.193
   64    HD2  TYR   9           HD2      TYR   9  12.061  -1.437  -3.854
   65    HE1  TYR   9           HE1      TYR   9   8.243  -4.251  -5.169
   66    HE2  TYR   9           HE2      TYR   9  12.278  -3.888  -3.827
   67    HH   TYR   9           HH       TYR   9  10.890  -5.853  -3.687
   68    H    ARG  10           HN       ARG  10   9.933   1.520  -0.978
   69    HA   ARG  10           HA       ARG  10  11.340   3.833  -2.110
   70    HB2  ARG  10           HB2      ARG  10  10.474   5.266  -0.488
   71    HB3  ARG  10           HB1      ARG  10   9.085   4.313  -0.951
   72    HG2  ARG  10           HG2      ARG  10   9.462   2.895   1.043
   73    HG3  ARG  10           HG1      ARG  10  10.761   3.982   1.523
   74    HD2  ARG  10           HD2      ARG  10   7.867   4.728   1.152
   75    HD3  ARG  10           HD1      ARG  10   8.697   4.517   2.693
   76    HE   ARG  10           HE       ARG  10   9.932   6.467   0.981
   77   HH11  ARG  10          HH11      ARG  10   7.474   5.919   3.406
   78   HH12  ARG  10          HH12      ARG  10   7.408   7.582   3.898
   79   HH21  ARG  10          HH21      ARG  10   9.841   8.659   1.610
   80   HH22  ARG  10          HH22      ARG  10   8.765   9.142   2.882
   81    H    ASN  11           HN       ASN  11  13.361   4.140  -1.347
   82    HA   ASN  11           HA       ASN  11  15.347   3.679  -0.322
   83    HB2  ASN  11           HB2      ASN  11  13.782   2.509   1.982
   84    HB3  ASN  11           HB1      ASN  11  15.388   3.216   2.023
   85   HD21  ASN  11          HD21      ASN  11  14.651   5.504   0.380
   86   HD22  ASN  11          HD22      ASN  11  13.676   6.523   1.376
   87    H    ALA  12           HN       ALA  12  13.890   1.723  -1.965
   88    HA   ALA  12           HA       ALA  12  13.948  -0.415  -2.688
   89    HB1  ALA  12           HB1      ALA  12  15.886  -1.783  -2.220
   90    HB2  ALA  12           HB2      ALA  12  16.346  -0.721  -0.888
   91    HB3  ALA  12           HB3      ALA  12  16.384  -0.121  -2.546
   92    H    VAL  13           HN       VAL  13  12.548   0.380  -0.167
   93    HA   VAL  13           HA       VAL  13  12.192  -2.332   0.932
   94    HB   VAL  13           HB       VAL  13  11.377   0.266   2.235
   95   HG11  VAL  13          HG11      VAL  13  10.030  -1.641   2.906
   96   HG12  VAL  13          HG12      VAL  13  11.058  -1.105   4.234
   97   HG13  VAL  13          HG13      VAL  13  11.488  -2.544   3.312
   98   HG21  VAL  13          HG21      VAL  13  13.763  -1.473   2.852
   99   HG22  VAL  13          HG22      VAL  13  13.252  -0.054   3.768
  100   HG23  VAL  13          HG23      VAL  13  13.813   0.123   2.104
  101    H    ARG  14           HN       ARG  14  10.312  -3.281   0.566
  102    HA   ARG  14           HA       ARG  14   8.293  -1.891  -0.970
  103    HB2  ARG  14           HB2      ARG  14   9.222  -4.187  -1.526
  104    HB3  ARG  14           HB1      ARG  14   8.347  -4.787  -0.129
  105    HG2  ARG  14           HG2      ARG  14   6.261  -3.930  -1.143
  106    HG3  ARG  14           HG1      ARG  14   7.204  -3.557  -2.588
  107    HD2  ARG  14           HD2      ARG  14   7.839  -5.887  -2.808
  108    HD3  ARG  14           HD1      ARG  14   6.971  -6.278  -1.324
  109    HE   ARG  14           HE       ARG  14   5.504  -5.114  -3.559
  110   HH11  ARG  14          HH11      ARG  14   6.187  -7.850  -1.499
  111   HH12  ARG  14          HH12      ARG  14   4.806  -8.761  -2.020
  112   HH21  ARG  14          HH21      ARG  14   3.659  -6.303  -4.249
  113   HH22  ARG  14          HH22      ARG  14   3.361  -7.878  -3.577
  114    H    VAL  15           HN       VAL  15   7.047  -0.653   0.362
  115    HA   VAL  15           HA       VAL  15   5.937  -1.947   2.762
  116    HB   VAL  15           HB       VAL  15   5.356   0.362   3.520
  117   HG11  VAL  15          HG11      VAL  15   7.334  -0.778   4.362
  118   HG12  VAL  15          HG12      VAL  15   7.640   0.952   4.195
  119   HG13  VAL  15          HG13      VAL  15   8.276  -0.178   2.998
  120   HG21  VAL  15          HG21      VAL  15   7.051   1.184   1.165
  121   HG22  VAL  15          HG22      VAL  15   6.541   2.255   2.468
  122   HG23  VAL  15          HG23      VAL  15   5.336   1.528   1.404
  123    H    CYS  16           HN       CYS  16   3.877  -2.500   2.779
  124    HA   CYS  16           HA       CYS  16   2.119  -1.498   0.672
  125    HB2  CYS  16           HB2      CYS  16   2.260  -3.974   2.248
  126    HB3  CYS  16           HB1      CYS  16   0.631  -3.347   2.032
  127    H    HIS  17           HN       HIS  17   0.578  -0.087   1.026
  128    HA   HIS  17           HA       HIS  17  -0.185   0.518   3.817
  129    HB2  HIS  17           HB2      HIS  17  -0.809   2.371   1.552
  130    HB3  HIS  17           HB1      HIS  17  -0.530   2.746   3.244
  131    HD1  HIS  17           HD1      HIS  17   0.995   3.118   0.062
  132    HD2  HIS  17           HD2      HIS  17   2.398   2.296   3.883
  133    HE1  HIS  17           HE1      HIS  17   3.437   3.663   0.013
  134    HE2  HIS  17           HE2      HIS  17   4.194   3.421   2.404
  135    H    ARG  18           HN       ARG  18  -2.334   0.366   4.351
  136    HA   ARG  18           HA       ARG  18  -4.091  -0.756   2.324
  137    HB2  ARG  18           HB2      ARG  18  -4.060  -1.769   4.581
  138    HB3  ARG  18           HB1      ARG  18  -4.620  -0.245   5.259
  139    HG2  ARG  18           HG2      ARG  18  -6.663  -0.427   3.890
  140    HG3  ARG  18           HG1      ARG  18  -6.111  -2.003   3.325
  141    HD2  ARG  18           HD2      ARG  18  -6.121  -2.827   5.625
  142    HD3  ARG  18           HD1      ARG  18  -6.661  -1.250   6.189
  143    HE   ARG  18           HE       ARG  18  -8.265  -2.960   4.397
  144   HH11  ARG  18          HH11      ARG  18  -7.996  -0.779   7.122
  145   HH12  ARG  18          HH12      ARG  18  -9.693  -0.800   7.468
  146   HH21  ARG  18          HH21      ARG  18 -10.505  -2.987   4.858
  147   HH22  ARG  18          HH22      ARG  18 -11.113  -2.063   6.195
  148    H    ARG  19           HN       ARG  19  -4.946   0.692   1.004
  149    HA   ARG  19           HA       ARG  19  -6.068   3.144   2.190
  150    HB2  ARG  19           HB2      ARG  19  -5.385   4.409   0.366
  151    HB3  ARG  19           HB1      ARG  19  -4.035   3.303   0.568
  152    HG2  ARG  19           HG2      ARG  19  -4.254   2.872  -1.602
  153    HG3  ARG  19           HG1      ARG  19  -5.696   1.949  -1.166
  154    HD2  ARG  19           HD2      ARG  19  -6.261   3.496  -2.919
  155    HD3  ARG  19           HD1      ARG  19  -7.037   4.021  -1.419
  156    HE   ARG  19           HE       ARG  19  -4.515   5.278  -1.733
  157   HH11  ARG  19          HH11      ARG  19  -7.792   5.368  -2.950
  158   HH12  ARG  19          HH12      ARG  19  -7.710   7.039  -3.401
  159   HH21  ARG  19          HH21      ARG  19  -4.412   7.474  -2.292
  160   HH22  ARG  19          HH22      ARG  19  -5.784   8.244  -3.025
  161    H    CYS  20           HN       CYS  20  -7.904   4.030   0.893
  162    HA   CYS  20           HA       CYS  20  -9.488   1.858  -0.298
  163    HB2  CYS  20           HB2      CYS  20 -10.619   4.030   1.455
  164    HB3  CYS  20           HB1      CYS  20 -11.434   2.580   0.884
  165    H    ASN  21           HN       ASN  21 -11.238   2.652  -1.722
  166    HA   ASN  21           HA       ASN  21 -10.236   4.907  -3.249
  167    HB2  ASN  21           HB2      ASN  21 -12.111   4.194  -4.873
  168    HB3  ASN  21           HB1      ASN  21 -10.708   3.155  -4.697
  169   HD21  ASN  21          HD21      ASN  21 -13.538   3.446  -2.565
  170   HD22  ASN  21          HD22      ASN  21 -14.061   1.802  -2.782
  Start of MODEL   14
    1    H1   ALA   1           HT1      ALA   1 -16.986   1.399  -1.259
    2    H2   ALA   1           HT2      ALA   1 -17.251   2.743  -0.269
    3    H3   ALA   1           HT3      ALA   1 -17.115   1.202   0.413
    4    HA   ALA   1           HA       ALA   1 -14.957   2.602  -1.038
    5    HB1  ALA   1           HB1      ALA   1 -15.299   2.183   1.927
    6    HB2  ALA   1           HB2      ALA   1 -15.488   3.712   1.073
    7    HB3  ALA   1           HB3      ALA   1 -13.911   2.927   1.133
    8    H    PHE   2           HN       PHE   2 -13.656   1.172  -1.914
    9    HA   PHE   2           HA       PHE   2 -13.348  -1.463  -0.647
   10    HB2  PHE   2           HB2      PHE   2 -13.888  -1.576  -3.007
   11    HB3  PHE   2           HB1      PHE   2 -12.586  -0.462  -3.402
   12    HD1  PHE   2           HD1      PHE   2 -10.395  -1.231  -3.753
   13    HD2  PHE   2           HD2      PHE   2 -13.342  -3.835  -2.145
   14    HE1  PHE   2           HE1      PHE   2  -8.883  -3.136  -4.072
   15    HE2  PHE   2           HE2      PHE   2 -11.840  -5.742  -2.461
   16    HZ   PHE   2           HZ       PHE   2  -9.564  -5.373  -3.439
   17    H    CYS   3           HN       CYS   3 -11.475  -2.026   0.323
   18    HA   CYS   3           HA       CYS   3  -9.296  -0.052   0.227
   19    HB2  CYS   3           HB2      CYS   3  -9.979  -1.945   2.481
   20    HB3  CYS   3           HB1      CYS   3  -8.742  -0.691   2.503
   21    H    TRP   4           HN       TRP   4  -7.202  -0.749  -0.004
   22    HA   TRP   4           HA       TRP   4  -6.626  -3.587  -0.117
   23    HB2  TRP   4           HB2      TRP   4  -5.816  -3.608  -2.379
   24    HB3  TRP   4           HB1      TRP   4  -7.472  -3.028  -2.400
   25    HD1  TRP   4           HD1      TRP   4  -3.919  -1.989  -3.214
   26    HE1  TRP   4           HE1      TRP   4  -3.963   0.246  -4.482
   27    HE3  TRP   4           HE3      TRP   4  -8.841  -0.773  -2.551
   28    HZ2  TRP   4           HZ2      TRP   4  -5.821   2.266  -5.096
   29    HZ3  TRP   4           HZ3      TRP   4  -9.671   1.333  -3.508
   30    HH2  TRP   4           HH2      TRP   4  -8.193   2.823  -4.756
   31    H    ASN   5           HN       ASN   5  -4.220  -3.861  -0.768
   32    HA   ASN   5           HA       ASN   5  -2.748  -1.845   0.777
   33    HB2  ASN   5           HB2      ASN   5  -2.235  -4.776   0.303
   34    HB3  ASN   5           HB1      ASN   5  -1.021  -3.703   0.990
   35   HD21  ASN   5          HD21      ASN   5  -3.987  -5.383   1.512
   36   HD22  ASN   5          HD22      ASN   5  -4.109  -5.068   3.209
   37    H    VAL   6           HN       VAL   6  -1.726  -0.445  -0.424
   38    HA   VAL   6           HA       VAL   6  -0.678  -1.172  -3.041
   39    HB   VAL   6           HB       VAL   6  -0.511   1.482  -1.596
   40   HG11  VAL   6          HG11      VAL   6  -0.076   0.780  -4.498
   41   HG12  VAL   6          HG12      VAL   6   1.189   1.163  -3.331
   42   HG13  VAL   6          HG13      VAL   6   0.014   2.396  -3.795
   43   HG21  VAL   6          HG21      VAL   6  -2.469   0.573  -3.697
   44   HG22  VAL   6          HG22      VAL   6  -2.345   2.204  -3.041
   45   HG23  VAL   6          HG23      VAL   6  -2.835   0.869  -1.998
   46    H    CYS   7           HN       CYS   7   1.185  -2.264  -2.983
   47    HA   CYS   7           HA       CYS   7   3.200  -1.674  -0.984
   48    HB2  CYS   7           HB2      CYS   7   2.728  -3.826  -2.939
   49    HB3  CYS   7           HB1      CYS   7   4.415  -3.448  -2.628
   50    H    VAL   8           HN       VAL   8   4.565  -0.120  -1.231
   51    HA   VAL   8           HA       VAL   8   5.393   0.667  -3.956
   52    HB   VAL   8           HB       VAL   8   5.321   2.351  -1.448
   53   HG11  VAL   8          HG11      VAL   8   5.842   4.238  -2.959
   54   HG12  VAL   8          HG12      VAL   8   6.094   3.080  -4.266
   55   HG13  VAL   8          HG13      VAL   8   7.146   3.054  -2.848
   56   HG21  VAL   8          HG21      VAL   8   3.538   3.609  -2.594
   57   HG22  VAL   8          HG22      VAL   8   3.084   1.936  -2.273
   58   HG23  VAL   8          HG23      VAL   8   3.567   2.423  -3.898
   59    H    TYR   9           HN       TYR   9   7.546   0.681  -4.402
   60    HA   TYR   9           HA       TYR   9   9.354  -0.317  -2.360
   61    HB2  TYR   9           HB2      TYR   9   9.260  -0.643  -5.097
   62    HB3  TYR   9           HB1      TYR   9  10.548   0.532  -4.901
   63    HD1  TYR   9           HD1      TYR   9   9.411  -2.817  -3.739
   64    HD2  TYR   9           HD2      TYR   9  12.680  -0.160  -4.295
   65    HE1  TYR   9           HE1      TYR   9  10.972  -4.628  -3.166
   66    HE2  TYR   9           HE2      TYR   9  14.256  -1.961  -3.728
   67    HH   TYR   9           HH       TYR   9  14.197  -4.115  -2.420
   68    H    ARG  10           HN       ARG  10   9.739   1.231  -0.909
   69    HA   ARG  10           HA       ARG  10  10.714   3.833  -1.899
   70    HB2  ARG  10           HB2      ARG  10   8.443   3.885  -0.811
   71    HB3  ARG  10           HB1      ARG  10   9.206   3.333   0.672
   72    HG2  ARG  10           HG2      ARG  10  10.639   5.371   0.611
   73    HG3  ARG  10           HG1      ARG  10   9.679   5.927  -0.767
   74    HD2  ARG  10           HD2      ARG  10   7.665   5.867   0.595
   75    HD3  ARG  10           HD1      ARG  10   8.590   5.260   1.963
   76    HE   ARG  10           HE       ARG  10   9.582   7.760   0.973
   77   HH11  ARG  10          HH11      ARG  10   7.204   6.251   3.040
   78   HH12  ARG  10          HH12      ARG  10   6.987   7.648   4.043
   79   HH21  ARG  10          HH21      ARG  10   9.297   9.619   2.293
   80   HH22  ARG  10          HH22      ARG  10   8.181   9.567   3.619
   81    H    ASN  11           HN       ASN  11  12.762   4.183  -1.390
   82    HA   ASN  11           HA       ASN  11  14.819   4.019  -0.442
   83    HB2  ASN  11           HB2      ASN  11  13.266   3.253   2.045
   84    HB3  ASN  11           HB1      ASN  11  14.971   3.688   2.002
   85   HD21  ASN  11          HD21      ASN  11  12.616   4.890   3.340
   86   HD22  ASN  11          HD22      ASN  11  12.633   6.554   2.868
   87    H    ALA  12           HN       ALA  12  13.700   1.867  -1.845
   88    HA   ALA  12           HA       ALA  12  14.080  -0.277  -2.427
   89    HB1  ALA  12           HB1      ALA  12  16.125  -1.364  -1.676
   90    HB2  ALA  12           HB2      ALA  12  16.326  -0.148  -0.414
   91    HB3  ALA  12           HB3      ALA  12  16.435   0.316  -2.110
   92    H    VAL  13           HN       VAL  13  12.329   0.414  -0.115
   93    HA   VAL  13           HA       VAL  13  12.104  -2.355   0.873
   94    HB   VAL  13           HB       VAL  13  11.106   0.082   2.350
   95   HG11  VAL  13          HG11      VAL  13   9.868  -1.958   2.809
   96   HG12  VAL  13          HG12      VAL  13  10.813  -1.473   4.218
   97   HG13  VAL  13          HG13      VAL  13  11.368  -2.797   3.196
   98   HG21  VAL  13          HG21      VAL  13  13.584  -1.542   2.908
   99   HG22  VAL  13          HG22      VAL  13  12.939  -0.257   3.932
  100   HG23  VAL  13          HG23      VAL  13  13.543   0.119   2.318
  101    H    ARG  14           HN       ARG  14  10.255  -3.328   0.313
  102    HA   ARG  14           HA       ARG  14   8.261  -1.785  -1.111
  103    HB2  ARG  14           HB2      ARG  14   9.088  -3.956  -2.005
  104    HB3  ARG  14           HB1      ARG  14   8.388  -4.761  -0.606
  105    HG2  ARG  14           HG2      ARG  14   6.189  -3.951  -1.256
  106    HG3  ARG  14           HG1      ARG  14   6.887  -3.205  -2.692
  107    HD2  ARG  14           HD2      ARG  14   5.908  -5.328  -3.285
  108    HD3  ARG  14           HD1      ARG  14   7.663  -5.434  -3.418
  109    HE   ARG  14           HE       ARG  14   7.124  -6.314  -0.893
  110   HH11  ARG  14          HH11      ARG  14   6.090  -7.244  -4.105
  111   HH12  ARG  14          HH12      ARG  14   5.794  -8.897  -3.664
  112   HH21  ARG  14          HH21      ARG  14   6.744  -8.476  -0.310
  113   HH22  ARG  14          HH22      ARG  14   6.156  -9.596  -1.497
  114    H    VAL  15           HN       VAL  15   7.036  -0.687   0.277
  115    HA   VAL  15           HA       VAL  15   5.950  -2.087   2.622
  116    HB   VAL  15           HB       VAL  15   5.321   0.292   3.341
  117   HG11  VAL  15          HG11      VAL  15   8.226  -0.488   3.108
  118   HG12  VAL  15          HG12      VAL  15   7.113  -0.981   4.384
  119   HG13  VAL  15          HG13      VAL  15   7.576   0.713   4.224
  120   HG21  VAL  15          HG21      VAL  15   5.643   1.343   1.143
  121   HG22  VAL  15          HG22      VAL  15   7.366   0.972   1.228
  122   HG23  VAL  15          HG23      VAL  15   6.647   2.094   2.385
  123    H    CYS  16           HN       CYS  16   3.918  -2.733   2.557
  124    HA   CYS  16           HA       CYS  16   2.103  -1.664   0.559
  125    HB2  CYS  16           HB2      CYS  16   2.239  -4.098   2.187
  126    HB3  CYS  16           HB1      CYS  16   0.620  -3.430   2.028
  127    H    HIS  17           HN       HIS  17   0.693  -0.141   0.916
  128    HA   HIS  17           HA       HIS  17   0.009   0.544   3.705
  129    HB2  HIS  17           HB2      HIS  17  -0.556   2.409   1.439
  130    HB3  HIS  17           HB1      HIS  17  -0.200   2.782   3.117
  131    HD1  HIS  17           HD1      HIS  17   1.253   2.957  -0.129
  132    HD2  HIS  17           HD2      HIS  17   2.707   2.212   3.691
  133    HE1  HIS  17           HE1      HIS  17   3.724   3.352  -0.263
  134    HE2  HIS  17           HE2      HIS  17   4.555   3.071   2.101
  135    H    ARG  18           HN       ARG  18  -2.129   0.508   4.286
  136    HA   ARG  18           HA       ARG  18  -3.931  -0.644   2.317
  137    HB2  ARG  18           HB2      ARG  18  -3.799  -1.613   4.614
  138    HB3  ARG  18           HB1      ARG  18  -4.445  -0.103   5.247
  139    HG2  ARG  18           HG2      ARG  18  -6.457  -0.435   3.839
  140    HG3  ARG  18           HG1      ARG  18  -5.820  -2.013   3.374
  141    HD2  ARG  18           HD2      ARG  18  -5.838  -2.708   5.716
  142    HD3  ARG  18           HD1      ARG  18  -6.463  -1.127   6.183
  143    HE   ARG  18           HE       ARG  18  -7.920  -3.229   4.748
  144   HH11  ARG  18          HH11      ARG  18  -7.903  -0.044   6.198
  145   HH12  ARG  18          HH12      ARG  18  -9.631   0.062   6.291
  146   HH21  ARG  18          HH21      ARG  18 -10.197  -3.099   4.881
  147   HH22  ARG  18          HH22      ARG  18 -10.937  -1.682   5.553
  148    H    ARG  19           HN       ARG  19  -4.791   0.806   1.008
  149    HA   ARG  19           HA       ARG  19  -5.852   3.295   2.176
  150    HB2  ARG  19           HB2      ARG  19  -5.305   4.444   0.240
  151    HB3  ARG  19           HB1      ARG  19  -3.974   3.303   0.348
  152    HG2  ARG  19           HG2      ARG  19  -4.443   2.789  -1.764
  153    HG3  ARG  19           HG1      ARG  19  -5.850   1.931  -1.129
  154    HD2  ARG  19           HD2      ARG  19  -6.615   3.405  -2.849
  155    HD3  ARG  19           HD1      ARG  19  -7.131   4.072  -1.297
  156    HE   ARG  19           HE       ARG  19  -4.617   5.061  -2.382
  157   HH11  ARG  19          HH11      ARG  19  -8.049   5.598  -1.878
  158   HH12  ARG  19          HH12      ARG  19  -7.956   7.296  -2.219
  159   HH21  ARG  19          HH21      ARG  19  -4.503   7.298  -2.827
  160   HH22  ARG  19          HH22      ARG  19  -5.945   8.261  -2.744
  161    H    CYS  20           HN       CYS  20  -7.823   4.117   0.970
  162    HA   CYS  20           HA       CYS  20  -9.489   1.864   0.087
  163    HB2  CYS  20           HB2      CYS  20 -10.300   4.025   2.027
  164    HB3  CYS  20           HB1      CYS  20 -11.359   2.763   1.406
  165    H    ASN  21           HN       ASN  21 -11.161   2.354  -1.329
  166    HA   ASN  21           HA       ASN  21 -11.421   5.135  -2.221
  167    HB2  ASN  21           HB2      ASN  21  -9.999   4.080  -3.889
  168    HB3  ASN  21           HB1      ASN  21 -11.115   2.725  -4.028
  169   HD21  ASN  21          HD21      ASN  21 -12.982   2.950  -5.203
  170   HD22  ASN  21          HD22      ASN  21 -13.290   4.310  -6.227
  Start of MODEL   15
    1    H1   ALA   1           HT1      ALA   1 -16.087   1.423   1.941
    2    H2   ALA   1           HT2      ALA   1 -16.896   1.251   0.468
    3    H3   ALA   1           HT3      ALA   1 -16.751   2.777   1.177
    4    HA   ALA   1           HA       ALA   1 -15.211   2.538  -0.655
    5    HB1  ALA   1           HB1      ALA   1 -13.195   3.213   0.520
    6    HB2  ALA   1           HB2      ALA   1 -13.838   2.571   2.029
    7    HB3  ALA   1           HB3      ALA   1 -14.611   3.955   1.261
    8    H    PHE   2           HN       PHE   2 -13.590   1.398  -1.698
    9    HA   PHE   2           HA       PHE   2 -13.230  -1.357  -0.755
   10    HB2  PHE   2           HB2      PHE   2 -13.944  -1.094  -3.088
   11    HB3  PHE   2           HB1      PHE   2 -12.536  -0.090  -3.421
   12    HD1  PHE   2           HD1      PHE   2 -10.502  -1.048  -4.037
   13    HD2  PHE   2           HD2      PHE   2 -13.590  -3.482  -2.428
   14    HE1  PHE   2           HE1      PHE   2  -9.224  -3.057  -4.639
   15    HE2  PHE   2           HE2      PHE   2 -12.330  -5.494  -3.029
   16    HZ   PHE   2           HZ       PHE   2 -10.099  -5.274  -4.127
   17    H    CYS   3           HN       CYS   3 -11.425  -1.909   0.275
   18    HA   CYS   3           HA       CYS   3  -9.153  -0.049   0.123
   19    HB2  CYS   3           HB2      CYS   3  -9.840  -1.937   2.380
   20    HB3  CYS   3           HB1      CYS   3  -8.595  -0.693   2.386
   21    H    TRP   4           HN       TRP   4  -7.080  -0.830  -0.138
   22    HA   TRP   4           HA       TRP   4  -6.624  -3.684  -0.267
   23    HB2  TRP   4           HB2      TRP   4  -5.860  -3.766  -2.538
   24    HB3  TRP   4           HB1      TRP   4  -7.478  -3.083  -2.542
   25    HD1  TRP   4           HD1      TRP   4  -3.821  -2.129  -3.194
   26    HE1  TRP   4           HE1      TRP   4  -3.777   0.038  -4.579
   27    HE3  TRP   4           HE3      TRP   4  -8.791  -0.949  -3.019
   28    HZ2  TRP   4           HZ2      TRP   4  -5.592   1.989  -5.460
   29    HZ3  TRP   4           HZ3      TRP   4  -9.556   1.093  -4.162
   30    HH2  TRP   4           HH2      TRP   4  -7.987   2.533  -5.358
   31    H    ASN   5           HN       ASN   5  -4.276  -4.107  -0.877
   32    HA   ASN   5           HA       ASN   5  -2.679  -2.291   0.750
   33    HB2  ASN   5           HB2      ASN   5  -2.335  -5.133  -0.160
   34    HB3  ASN   5           HB1      ASN   5  -0.965  -4.219   0.463
   35   HD21  ASN   5          HD21      ASN   5  -0.779  -5.635   2.207
   36   HD22  ASN   5          HD22      ASN   5  -1.876  -5.582   3.542
   37    H    VAL   6           HN       VAL   6  -1.748  -0.700  -0.284
   38    HA   VAL   6           HA       VAL   6  -0.724  -1.056  -2.994
   39    HB   VAL   6           HB       VAL   6  -0.684   1.408  -1.247
   40   HG11  VAL   6          HG11      VAL   6  -0.273   2.603  -3.355
   41   HG12  VAL   6          HG12      VAL   6  -0.189   1.054  -4.197
   42   HG13  VAL   6          HG13      VAL   6   1.014   1.458  -2.974
   43   HG21  VAL   6          HG21      VAL   6  -2.970   0.747  -1.694
   44   HG22  VAL   6          HG22      VAL   6  -2.620   0.618  -3.415
   45   HG23  VAL   6          HG23      VAL   6  -2.564   2.188  -2.622
   46    H    CYS   7           HN       CYS   7   1.204  -2.025  -3.088
   47    HA   CYS   7           HA       CYS   7   3.166  -1.583  -0.990
   48    HB2  CYS   7           HB2      CYS   7   2.922  -3.502  -3.256
   49    HB3  CYS   7           HB1      CYS   7   4.515  -3.182  -2.587
   50    H    VAL   8           HN       VAL   8   4.369   0.114  -1.093
   51    HA   VAL   8           HA       VAL   8   5.280   1.117  -3.708
   52    HB   VAL   8           HB       VAL   8   5.224   2.461  -1.006
   53   HG11  VAL   8          HG11      VAL   8   6.203   3.559  -3.634
   54   HG12  VAL   8          HG12      VAL   8   7.190   3.195  -2.217
   55   HG13  VAL   8          HG13      VAL   8   5.997   4.489  -2.148
   56   HG21  VAL   8          HG21      VAL   8   3.033   2.320  -2.032
   57   HG22  VAL   8          HG22      VAL   8   3.669   3.003  -3.527
   58   HG23  VAL   8          HG23      VAL   8   3.607   3.985  -2.066
   59    H    TYR   9           HN       TYR   9   7.386   1.048  -4.211
   60    HA   TYR   9           HA       TYR   9   9.218  -0.104  -2.271
   61    HB2  TYR   9           HB2      TYR   9   9.128   0.069  -5.216
   62    HB3  TYR   9           HB1      TYR   9  10.725   0.224  -4.498
   63    HD1  TYR   9           HD1      TYR   9   7.848  -1.993  -4.982
   64    HD2  TYR   9           HD2      TYR   9  11.770  -1.648  -3.369
   65    HE1  TYR   9           HE1      TYR   9   7.966  -4.436  -4.771
   66    HE2  TYR   9           HE2      TYR   9  11.899  -4.094  -3.149
   67    HH   TYR   9           HH       TYR   9  10.381  -6.018  -2.974
   68    H    ARG  10           HN       ARG  10   9.810   1.378  -0.901
   69    HA   ARG  10           HA       ARG  10  10.808   3.952  -1.929
   70    HB2  ARG  10           HB2      ARG  10   8.663   4.092  -0.678
   71    HB3  ARG  10           HB1      ARG  10   9.452   3.367   0.710
   72    HG2  ARG  10           HG2      ARG  10   9.199   5.768   0.930
   73    HG3  ARG  10           HG1      ARG  10  10.896   5.290   0.941
   74    HD2  ARG  10           HD2      ARG  10  11.158   6.019  -1.337
   75    HD3  ARG  10           HD1      ARG  10   9.427   6.328  -1.480
   76    HE   ARG  10           HE       ARG  10  10.316   7.876   0.630
   77   HH11  ARG  10          HH11      ARG  10  11.000   7.620  -2.791
   78   HH12  ARG  10          HH12      ARG  10  11.371   9.304  -2.972
   79   HH21  ARG  10          HH21      ARG  10  10.793  10.088   0.401
   80   HH22  ARG  10          HH22      ARG  10  11.242  10.719  -1.153
   81    H    ASN  11           HN       ASN  11  12.930   4.064  -1.717
   82    HA   ASN  11           HA       ASN  11  15.069   3.653  -1.083
   83    HB2  ASN  11           HB2      ASN  11  13.790   3.325   1.643
   84    HB3  ASN  11           HB1      ASN  11  15.527   3.424   1.361
   85   HD21  ASN  11          HD21      ASN  11  13.734   5.182   2.881
   86   HD22  ASN  11          HD22      ASN  11  13.939   6.758   2.198
   87    H    ALA  12           HN       ALA  12  13.622   1.595  -2.201
   88    HA   ALA  12           HA       ALA  12  13.810  -0.584  -2.751
   89    HB1  ALA  12           HB1      ALA  12  16.003  -0.760  -0.696
   90    HB2  ALA  12           HB2      ALA  12  16.219  -0.310  -2.388
   91    HB3  ALA  12           HB3      ALA  12  15.652  -1.928  -1.970
   92    H    VAL  13           HN       VAL  13  12.717   0.490   0.134
   93    HA   VAL  13           HA       VAL  13  12.107  -2.131   1.248
   94    HB   VAL  13           HB       VAL  13  11.189   0.574   2.218
   95   HG11  VAL  13          HG11      VAL  13  10.732  -0.557   4.322
   96   HG12  VAL  13          HG12      VAL  13  11.271  -2.085   3.626
   97   HG13  VAL  13          HG13      VAL  13   9.826  -1.297   3.001
   98   HG21  VAL  13          HG21      VAL  13  13.562  -1.065   3.097
   99   HG22  VAL  13          HG22      VAL  13  12.976   0.390   3.903
  100   HG23  VAL  13          HG23      VAL  13  13.612   0.487   2.260
  101    H    ARG  14           HN       ARG  14  10.288  -3.176   0.845
  102    HA   ARG  14           HA       ARG  14   8.264  -1.942  -0.814
  103    HB2  ARG  14           HB2      ARG  14   9.165  -4.214  -1.297
  104    HB3  ARG  14           HB1      ARG  14   8.470  -4.775   0.218
  105    HG2  ARG  14           HG2      ARG  14   6.241  -4.203  -0.598
  106    HG3  ARG  14           HG1      ARG  14   6.963  -3.650  -2.109
  107    HD2  ARG  14           HD2      ARG  14   6.071  -5.905  -2.350
  108    HD3  ARG  14           HD1      ARG  14   7.824  -5.895  -2.531
  109    HE   ARG  14           HE       ARG  14   6.370  -6.818  -0.137
  110   HH11  ARG  14          HH11      ARG  14   9.213  -6.852  -2.200
  111   HH12  ARG  14          HH12      ARG  14  10.003  -8.100  -1.291
  112   HH21  ARG  14          HH21      ARG  14   7.411  -8.460   1.050
  113   HH22  ARG  14          HH22      ARG  14   8.980  -9.015   0.560
  114    H    VAL  15           HN       VAL  15   6.971  -0.659   0.389
  115    HA   VAL  15           HA       VAL  15   5.855  -1.808   2.858
  116    HB   VAL  15           HB       VAL  15   5.241   0.587   3.427
  117   HG11  VAL  15          HG11      VAL  15   7.482   1.112   4.256
  118   HG12  VAL  15          HG12      VAL  15   8.165  -0.106   3.183
  119   HG13  VAL  15          HG13      VAL  15   7.091  -0.589   4.494
  120   HG21  VAL  15          HG21      VAL  15   7.176   1.159   1.184
  121   HG22  VAL  15          HG22      VAL  15   6.591   2.345   2.350
  122   HG23  VAL  15          HG23      VAL  15   5.464   1.583   1.227
  123    H    CYS  16           HN       CYS  16   3.912  -2.633   2.580
  124    HA   CYS  16           HA       CYS  16   2.118  -1.477   0.600
  125    HB2  CYS  16           HB2      CYS  16   2.410  -4.081   1.814
  126    HB3  CYS  16           HB1      CYS  16   0.757  -3.496   1.975
  127    H    HIS  17           HN       HIS  17   0.573  -0.130   1.056
  128    HA   HIS  17           HA       HIS  17  -0.143   0.325   3.886
  129    HB2  HIS  17           HB2      HIS  17  -0.882   2.277   1.739
  130    HB3  HIS  17           HB1      HIS  17  -0.515   2.573   3.431
  131    HD1  HIS  17           HD1      HIS  17   0.753   3.328   0.282
  132    HD2  HIS  17           HD2      HIS  17   2.513   1.962   3.788
  133    HE1  HIS  17           HE1      HIS  17   3.184   3.919   0.090
  134    HE2  HIS  17           HE2      HIS  17   4.177   3.288   2.315
  135    H    ARG  18           HN       ARG  18  -2.359   0.326   4.425
  136    HA   ARG  18           HA       ARG  18  -4.079  -0.860   2.403
  137    HB2  ARG  18           HB2      ARG  18  -4.105  -1.779   4.698
  138    HB3  ARG  18           HB1      ARG  18  -4.666  -0.224   5.302
  139    HG2  ARG  18           HG2      ARG  18  -6.731  -0.427   4.142
  140    HG3  ARG  18           HG1      ARG  18  -6.164  -1.848   3.264
  141    HD2  ARG  18           HD2      ARG  18  -6.022  -3.077   5.382
  142    HD3  ARG  18           HD1      ARG  18  -6.624  -1.659   6.237
  143    HE   ARG  18           HE       ARG  18  -8.725  -1.937   5.093
  144   HH11  ARG  18          HH11      ARG  18  -6.509  -4.640   4.885
  145   HH12  ARG  18          HH12      ARG  18  -7.745  -5.783   4.478
  146   HH21  ARG  18          HH21      ARG  18 -10.354  -3.443   4.553
  147   HH22  ARG  18          HH22      ARG  18  -9.930  -5.106   4.301
  148    H    ARG  19           HN       ARG  19  -4.646   0.641   0.978
  149    HA   ARG  19           HA       ARG  19  -5.632   3.230   1.946
  150    HB2  ARG  19           HB2      ARG  19  -5.063   4.138  -0.098
  151    HB3  ARG  19           HB1      ARG  19  -3.860   2.863   0.014
  152    HG2  ARG  19           HG2      ARG  19  -4.548   2.329  -2.040
  153    HG3  ARG  19           HG1      ARG  19  -5.909   1.560  -1.221
  154    HD2  ARG  19           HD2      ARG  19  -6.824   2.938  -2.923
  155    HD3  ARG  19           HD1      ARG  19  -7.114   3.764  -1.388
  156    HE   ARG  19           HE       ARG  19  -4.683   4.576  -2.696
  157   HH11  ARG  19          HH11      ARG  19  -8.127   5.151  -2.442
  158   HH12  ARG  19          HH12      ARG  19  -8.034   6.750  -3.102
  159   HH21  ARG  19          HH21      ARG  19  -4.559   6.667  -3.573
  160   HH22  ARG  19          HH22      ARG  19  -6.001   7.614  -3.750
  161    H    CYS  20           HN       CYS  20  -7.615   4.064   0.884
  162    HA   CYS  20           HA       CYS  20  -9.437   1.899   0.110
  163    HB2  CYS  20           HB2      CYS  20 -10.027   4.062   2.130
  164    HB3  CYS  20           HB1      CYS  20 -11.196   2.892   1.529
  165    H    ASN  21           HN       ASN  21 -10.816   2.357  -1.482
  166    HA   ASN  21           HA       ASN  21 -10.855   5.118  -2.510
  167    HB2  ASN  21           HB2      ASN  21  -9.915   3.389  -4.051
  168    HB3  ASN  21           HB1      ASN  21 -11.466   2.556  -4.004
  169   HD21  ASN  21          HD21      ASN  21 -11.943   2.801  -6.140
  170   HD22  ASN  21          HD22      ASN  21 -12.285   4.331  -6.874
  Start of MODEL   16
    1    H1   ALA   1           HT1      ALA   1 -17.316   2.420  -0.101
    2    H2   ALA   1           HT2      ALA   1 -16.909   0.856   0.397
    3    H3   ALA   1           HT3      ALA   1 -17.093   1.197  -1.249
    4    HA   ALA   1           HA       ALA   1 -15.190   2.608  -1.251
    5    HB1  ALA   1           HB1      ALA   1 -14.973   1.931   1.682
    6    HB2  ALA   1           HB2      ALA   1 -15.445   3.494   1.014
    7    HB3  ALA   1           HB3      ALA   1 -13.814   2.876   0.749
    8    H    PHE   2           HN       PHE   2 -13.510   1.599  -2.168
    9    HA   PHE   2           HA       PHE   2 -13.183  -1.264  -1.589
   10    HB2  PHE   2           HB2      PHE   2 -13.626  -0.758  -3.932
   11    HB3  PHE   2           HB1      PHE   2 -12.285   0.381  -3.969
   12    HD1  PHE   2           HD1      PHE   2 -10.164  -0.324  -4.574
   13    HD2  PHE   2           HD2      PHE   2 -13.089  -3.188  -3.436
   14    HE1  PHE   2           HE1      PHE   2  -8.658  -2.134  -5.271
   15    HE2  PHE   2           HE2      PHE   2 -11.600  -5.002  -4.136
   16    HZ   PHE   2           HZ       PHE   2  -9.340  -4.458  -5.059
   17    H    CYS   3           HN       CYS   3 -11.566  -1.821  -0.303
   18    HA   CYS   3           HA       CYS   3  -9.304   0.030  -0.014
   19    HB2  CYS   3           HB2      CYS   3  -9.965  -2.282   1.806
   20    HB3  CYS   3           HB1      CYS   3  -8.917  -0.911   2.141
   21    H    TRP   4           HN       TRP   4  -7.189  -0.671  -0.306
   22    HA   TRP   4           HA       TRP   4  -6.701  -3.470  -0.852
   23    HB2  TRP   4           HB2      TRP   4  -5.798  -3.212  -3.046
   24    HB3  TRP   4           HB1      TRP   4  -7.408  -2.514  -3.051
   25    HD1  TRP   4           HD1      TRP   4  -3.725  -1.572  -3.421
   26    HE1  TRP   4           HE1      TRP   4  -3.579   0.793  -4.418
   27    HE3  TRP   4           HE3      TRP   4  -8.659  -0.254  -3.136
   28    HZ2  TRP   4           HZ2      TRP   4  -5.304   2.934  -4.990
   29    HZ3  TRP   4           HZ3      TRP   4  -9.326   1.978  -3.932
   30    HH2  TRP   4           HH2      TRP   4  -7.684   3.538  -4.840
   31    H    ASN   5           HN       ASN   5  -4.371  -3.896  -1.215
   32    HA   ASN   5           HA       ASN   5  -2.867  -2.289   0.693
   33    HB2  ASN   5           HB2      ASN   5  -2.343  -5.001  -0.535
   34    HB3  ASN   5           HB1      ASN   5  -1.225  -4.194   0.560
   35   HD21  ASN   5          HD21      ASN   5  -1.701  -4.099   2.737
   36   HD22  ASN   5          HD22      ASN   5  -2.999  -4.990   3.451
   37    H    VAL   6           HN       VAL   6  -1.851  -0.625  -0.149
   38    HA   VAL   6           HA       VAL   6  -0.665  -0.775  -2.800
   39    HB   VAL   6           HB       VAL   6  -0.533   1.514  -0.833
   40   HG11  VAL   6          HG11      VAL   6   0.048   2.851  -2.764
   41   HG12  VAL   6          HG12      VAL   6  -0.128   1.448  -3.817
   42   HG13  VAL   6          HG13      VAL   6   1.164   1.491  -2.620
   43   HG21  VAL   6          HG21      VAL   6  -2.502   1.047  -3.065
   44   HG22  VAL   6          HG22      VAL   6  -2.352   2.531  -2.131
   45   HG23  VAL   6          HG23      VAL   6  -2.860   1.040  -1.339
   46    H    CYS   7           HN       CYS   7   1.133  -1.974  -2.791
   47    HA   CYS   7           HA       CYS   7   3.045  -1.667  -0.607
   48    HB2  CYS   7           HB2      CYS   7   2.953  -3.662  -2.872
   49    HB3  CYS   7           HB1      CYS   7   4.178  -3.625  -1.607
   50    H    VAL   8           HN       VAL   8   4.294   0.006  -0.857
   51    HA   VAL   8           HA       VAL   8   5.137   0.795  -3.557
   52    HB   VAL   8           HB       VAL   8   5.392   2.345  -0.980
   53   HG11  VAL   8          HG11      VAL   8   5.700   3.220  -3.846
   54   HG12  VAL   8          HG12      VAL   8   6.996   3.038  -2.663
   55   HG13  VAL   8          HG13      VAL   8   5.764   4.278  -2.436
   56   HG21  VAL   8          HG21      VAL   8   3.045   1.974  -1.506
   57   HG22  VAL   8          HG22      VAL   8   3.303   2.591  -3.140
   58   HG23  VAL   8          HG23      VAL   8   3.480   3.665  -1.751
   59    H    TYR   9           HN       TYR   9   7.192   0.614  -4.180
   60    HA   TYR   9           HA       TYR   9   9.164  -0.359  -2.282
   61    HB2  TYR   9           HB2      TYR   9   8.766  -0.831  -4.977
   62    HB3  TYR   9           HB1      TYR   9  10.116   0.296  -4.975
   63    HD1  TYR   9           HD1      TYR   9   9.007  -2.753  -3.131
   64    HD2  TYR   9           HD2      TYR   9  12.234  -0.625  -4.905
   65    HE1  TYR   9           HE1      TYR   9  10.514  -4.616  -2.594
   66    HE2  TYR   9           HE2      TYR   9  13.754  -2.483  -4.375
   67    HH   TYR   9           HH       TYR   9  13.918  -4.351  -2.844
   68    H    ARG  10           HN       ARG  10   9.762   1.234  -0.980
   69    HA   ARG  10           HA       ARG  10  10.542   3.800  -2.196
   70    HB2  ARG  10           HB2      ARG  10   8.469   3.856  -0.784
   71    HB3  ARG  10           HB1      ARG  10   9.450   3.356   0.586
   72    HG2  ARG  10           HG2      ARG  10  10.734   5.393   0.464
   73    HG3  ARG  10           HG1      ARG  10   9.868   5.878  -0.998
   74    HD2  ARG  10           HD2      ARG  10   8.591   5.415   1.692
   75    HD3  ARG  10           HD1      ARG  10   9.024   6.995   1.039
   76    HE   ARG  10           HE       ARG  10   7.464   5.994  -0.899
   77   HH11  ARG  10          HH11      ARG  10   7.014   6.218   2.566
   78   HH12  ARG  10          HH12      ARG  10   5.289   6.373   2.457
   79   HH21  ARG  10          HH21      ARG  10   5.189   6.195  -1.041
   80   HH22  ARG  10          HH22      ARG  10   4.258   6.366   0.414
   81    H    ASN  11           HN       ASN  11  12.652   3.984  -2.187
   82    HA   ASN  11           HA       ASN  11  14.840   3.862  -1.612
   83    HB2  ASN  11           HB2      ASN  11  13.790   3.521   1.209
   84    HB3  ASN  11           HB1      ASN  11  15.453   3.899   0.774
   85   HD21  ASN  11          HD21      ASN  11  13.601   5.400   2.419
   86   HD22  ASN  11          HD22      ASN  11  13.445   6.956   1.680
   87    H    ALA  12           HN       ALA  12  13.481   1.608  -2.498
   88    HA   ALA  12           HA       ALA  12  13.838  -0.579  -2.921
   89    HB1  ALA  12           HB1      ALA  12  15.919  -1.637  -2.248
   90    HB2  ALA  12           HB2      ALA  12  16.244  -0.320  -1.120
   91    HB3  ALA  12           HB3      ALA  12  16.218  -0.009  -2.856
   92    H    VAL  13           HN       VAL  13  12.548   0.502  -0.304
   93    HA   VAL  13           HA       VAL  13  12.334  -2.140   0.983
   94    HB   VAL  13           HB       VAL  13  11.546   0.518   2.181
   95   HG11  VAL  13          HG11      VAL  13  11.838  -2.219   3.409
   96   HG12  VAL  13          HG12      VAL  13  10.323  -1.374   3.091
   97   HG13  VAL  13          HG13      VAL  13  11.455  -0.738   4.286
   98   HG21  VAL  13          HG21      VAL  13  14.041  -1.106   2.660
   99   HG22  VAL  13          HG22      VAL  13  13.554   0.320   3.577
  100   HG23  VAL  13          HG23      VAL  13  13.956   0.467   1.865
  101    H    ARG  14           HN       ARG  14  10.395  -3.136   0.946
  102    HA   ARG  14           HA       ARG  14   8.280  -1.869  -0.582
  103    HB2  ARG  14           HB2      ARG  14   8.864  -4.126  -1.193
  104    HB3  ARG  14           HB1      ARG  14   8.608  -4.680   0.457
  105    HG2  ARG  14           HG2      ARG  14   6.265  -4.264   0.299
  106    HG3  ARG  14           HG1      ARG  14   6.455  -3.510  -1.283
  107    HD2  ARG  14           HD2      ARG  14   7.178  -6.362  -0.673
  108    HD3  ARG  14           HD1      ARG  14   5.624  -5.863  -1.334
  109    HE   ARG  14           HE       ARG  14   7.392  -4.787  -3.066
  110   HH11  ARG  14          HH11      ARG  14   6.940  -8.010  -1.792
  111   HH12  ARG  14          HH12      ARG  14   7.576  -8.798  -3.199
  112   HH21  ARG  14          HH21      ARG  14   8.223  -5.827  -4.937
  113   HH22  ARG  14          HH22      ARG  14   8.301  -7.560  -4.988
  114    H    VAL  15           HN       VAL  15   7.000  -0.565   0.535
  115    HA   VAL  15           HA       VAL  15   6.090  -1.461   3.186
  116    HB   VAL  15           HB       VAL  15   5.423   0.932   3.557
  117   HG11  VAL  15          HG11      VAL  15   8.347   0.390   3.044
  118   HG12  VAL  15          HG12      VAL  15   7.459   0.013   4.520
  119   HG13  VAL  15          HG13      VAL  15   7.705   1.693   4.045
  120   HG21  VAL  15          HG21      VAL  15   6.561   2.637   2.151
  121   HG22  VAL  15          HG22      VAL  15   5.298   1.743   1.304
  122   HG23  VAL  15          HG23      VAL  15   6.997   1.355   1.019
  123    H    CYS  16           HN       CYS  16   4.179  -2.377   3.149
  124    HA   CYS  16           HA       CYS  16   2.268  -1.669   1.064
  125    HB2  CYS  16           HB2      CYS  16   2.194  -3.898   3.104
  126    HB3  CYS  16           HB1      CYS  16   1.022  -3.654   1.811
  127    H    HIS  17           HN       HIS  17   0.740  -0.258   1.415
  128    HA   HIS  17           HA       HIS  17  -0.162   0.213   4.192
  129    HB2  HIS  17           HB2      HIS  17  -0.783   2.173   2.027
  130    HB3  HIS  17           HB1      HIS  17  -0.497   2.456   3.734
  131    HD1  HIS  17           HD1      HIS  17   0.863   3.438   0.754
  132    HD2  HIS  17           HD2      HIS  17   2.567   1.694   4.113
  133    HE1  HIS  17           HE1      HIS  17   3.292   4.050   0.672
  134    HE2  HIS  17           HE2      HIS  17   4.238   3.203   2.850
  135    H    ARG  18           HN       ARG  18  -2.362   0.015   4.606
  136    HA   ARG  18           HA       ARG  18  -3.986  -0.952   2.384
  137    HB2  ARG  18           HB2      ARG  18  -4.194  -2.239   4.419
  138    HB3  ARG  18           HB1      ARG  18  -4.568  -0.791   5.346
  139    HG2  ARG  18           HG2      ARG  18  -6.667  -0.537   4.183
  140    HG3  ARG  18           HG1      ARG  18  -6.280  -1.895   3.126
  141    HD2  ARG  18           HD2      ARG  18  -6.382  -3.428   4.952
  142    HD3  ARG  18           HD1      ARG  18  -6.530  -2.116   6.119
  143    HE   ARG  18           HE       ARG  18  -8.726  -1.644   5.073
  144   HH11  ARG  18          HH11      ARG  18  -7.316  -4.832   4.721
  145   HH12  ARG  18          HH12      ARG  18  -8.849  -5.622   4.528
  146   HH21  ARG  18          HH21      ARG  18 -10.739  -2.678   4.826
  147   HH22  ARG  18          HH22      ARG  18 -10.800  -4.395   4.579
  148    H    ARG  19           HN       ARG  19  -4.549   0.713   1.149
  149    HA   ARG  19           HA       ARG  19  -5.727   3.073   2.436
  150    HB2  ARG  19           HB2      ARG  19  -5.072   4.332   0.624
  151    HB3  ARG  19           HB1      ARG  19  -3.815   3.105   0.601
  152    HG2  ARG  19           HG2      ARG  19  -4.354   2.978  -1.575
  153    HG3  ARG  19           HG1      ARG  19  -5.654   1.933  -0.992
  154    HD2  ARG  19           HD2      ARG  19  -6.588   3.565  -2.488
  155    HD3  ARG  19           HD1      ARG  19  -7.121   3.931  -0.843
  156    HE   ARG  19           HE       ARG  19  -4.740   5.344  -1.566
  157   HH11  ARG  19          HH11      ARG  19  -8.230   5.392  -1.819
  158   HH12  ARG  19          HH12      ARG  19  -8.315   7.103  -2.081
  159   HH21  ARG  19          HH21      ARG  19  -4.851   7.597  -1.915
  160   HH22  ARG  19          HH22      ARG  19  -6.393   8.359  -2.135
  161    H    CYS  20           HN       CYS  20  -7.711   3.952   1.339
  162    HA   CYS  20           HA       CYS  20  -9.237   1.898  -0.057
  163    HB2  CYS  20           HB2      CYS  20  -9.559   1.915   2.539
  164    HB3  CYS  20           HB1      CYS  20 -10.555   3.325   2.210
  165    H    ASN  21           HN       ASN  21 -11.023   2.688  -1.206
  166    HA   ASN  21           HA       ASN  21 -11.220   5.599  -1.453
  167    HB2  ASN  21           HB2      ASN  21  -9.667   4.858  -3.212
  168    HB3  ASN  21           HB1      ASN  21 -10.861   3.696  -3.784
  169   HD21  ASN  21          HD21      ASN  21 -12.607   4.406  -4.969
  170   HD22  ASN  21          HD22      ASN  21 -12.724   6.016  -5.593
  Start of MODEL   17
    1    H1   ALA   1           HT1      ALA   1 -16.608   1.488   0.617
    2    H2   ALA   1           HT2      ALA   1 -17.080   1.184  -0.976
    3    H3   ALA   1           HT3      ALA   1 -17.094   2.762  -0.379
    4    HA   ALA   1           HA       ALA   1 -15.206   2.379  -1.830
    5    HB1  ALA   1           HB1      ALA   1 -15.037   4.022  -0.027
    6    HB2  ALA   1           HB2      ALA   1 -13.489   3.231  -0.317
    7    HB3  ALA   1           HB3      ALA   1 -14.468   2.765   1.072
    8    H    PHE   2           HN       PHE   2 -13.515   1.117  -2.469
    9    HA   PHE   2           HA       PHE   2 -13.274  -1.470  -1.128
   10    HB2  PHE   2           HB2      PHE   2 -13.601  -1.599  -3.524
   11    HB3  PHE   2           HB1      PHE   2 -12.255  -0.500  -3.807
   12    HD1  PHE   2           HD1      PHE   2 -10.218  -1.359  -4.327
   13    HD2  PHE   2           HD2      PHE   2 -12.994  -3.786  -2.212
   14    HE1  PHE   2           HE1      PHE   2  -8.661  -3.241  -4.468
   15    HE2  PHE   2           HE2      PHE   2 -11.446  -5.687  -2.355
   16    HZ   PHE   2           HZ       PHE   2  -9.270  -5.424  -3.483
   17    H    CYS   3           HN       CYS   3 -11.513  -2.063  -0.010
   18    HA   CYS   3           HA       CYS   3  -9.317  -0.114   0.128
   19    HB2  CYS   3           HB2      CYS   3 -10.156  -2.089   2.257
   20    HB3  CYS   3           HB1      CYS   3  -8.961  -0.808   2.420
   21    H    TRP   4           HN       TRP   4  -7.288  -0.772  -0.313
   22    HA   TRP   4           HA       TRP   4  -6.677  -3.622  -0.371
   23    HB2  TRP   4           HB2      TRP   4  -5.828  -3.608  -2.618
   24    HB3  TRP   4           HB1      TRP   4  -7.476  -3.001  -2.660
   25    HD1  TRP   4           HD1      TRP   4  -3.862  -1.926  -3.274
   26    HE1  TRP   4           HE1      TRP   4  -3.869   0.320  -4.517
   27    HE3  TRP   4           HE3      TRP   4  -8.845  -0.807  -2.934
   28    HZ2  TRP   4           HZ2      TRP   4  -5.715   2.307  -5.242
   29    HZ3  TRP   4           HZ3      TRP   4  -9.646   1.290  -3.932
   30    HH2  TRP   4           HH2      TRP   4  -8.113   2.818  -5.062
   31    H    ASN   5           HN       ASN   5  -4.334  -4.001  -0.725
   32    HA   ASN   5           HA       ASN   5  -2.855  -2.043   0.831
   33    HB2  ASN   5           HB2      ASN   5  -1.094  -3.832   0.924
   34    HB3  ASN   5           HB1      ASN   5  -2.638  -4.283   1.637
   35   HD21  ASN   5          HD21      ASN   5  -0.329  -4.920  -0.825
   36   HD22  ASN   5          HD22      ASN   5  -1.094  -6.324  -1.483
   37    H    VAL   6           HN       VAL   6  -1.889  -0.487  -0.188
   38    HA   VAL   6           HA       VAL   6  -0.805  -0.862  -2.871
   39    HB   VAL   6           HB       VAL   6  -0.783   1.611  -1.132
   40   HG11  VAL   6          HG11      VAL   6   0.933   1.636  -2.857
   41   HG12  VAL   6          HG12      VAL   6  -0.338   2.802  -3.231
   42   HG13  VAL   6          HG13      VAL   6  -0.275   1.259  -4.085
   43   HG21  VAL   6          HG21      VAL   6  -2.692   0.845  -3.333
   44   HG22  VAL   6          HG22      VAL   6  -2.652   2.396  -2.499
   45   HG23  VAL   6          HG23      VAL   6  -3.066   0.930  -1.612
   46    H    CYS   7           HN       CYS   7   1.139  -1.775  -2.972
   47    HA   CYS   7           HA       CYS   7   3.062  -1.359  -0.823
   48    HB2  CYS   7           HB2      CYS   7   2.702  -3.377  -2.955
   49    HB3  CYS   7           HB1      CYS   7   4.362  -3.006  -2.511
   50    H    VAL   8           HN       VAL   8   4.654   0.029  -0.949
   51    HA   VAL   8           HA       VAL   8   5.387   1.102  -3.600
   52    HB   VAL   8           HB       VAL   8   5.607   2.464  -0.917
   53   HG11  VAL   8          HG11      VAL   8   6.160   4.475  -2.227
   54   HG12  VAL   8          HG12      VAL   8   6.187   3.489  -3.689
   55   HG13  VAL   8          HG13      VAL   8   7.362   3.196  -2.405
   56   HG21  VAL   8          HG21      VAL   8   3.681   2.961  -3.181
   57   HG22  VAL   8          HG22      VAL   8   3.836   3.955  -1.733
   58   HG23  VAL   8          HG23      VAL   8   3.286   2.284  -1.602
   59    H    TYR   9           HN       TYR   9   7.436   0.892  -4.208
   60    HA   TYR   9           HA       TYR   9   9.362  -0.178  -2.288
   61    HB2  TYR   9           HB2      TYR   9   9.007  -0.430  -5.159
   62    HB3  TYR   9           HB1      TYR   9  10.641   0.072  -4.759
   63    HD1  TYR   9           HD1      TYR   9   8.240  -2.647  -4.694
   64    HD2  TYR   9           HD2      TYR   9  12.052  -1.353  -3.319
   65    HE1  TYR   9           HE1      TYR   9   8.826  -4.973  -4.141
   66    HE2  TYR   9           HE2      TYR   9  12.648  -3.669  -2.766
   67    HH   TYR   9           HH       TYR   9  11.525  -5.783  -2.237
   68    H    ARG  10           HN       ARG  10  10.002   1.514  -1.096
   69    HA   ARG  10           HA       ARG  10  11.456   3.612  -2.539
   70    HB2  ARG  10           HB2      ARG  10  10.788   5.216  -0.833
   71    HB3  ARG  10           HB1      ARG  10   9.376   4.550  -1.623
   72    HG2  ARG  10           HG2      ARG  10   9.001   3.077   0.263
   73    HG3  ARG  10           HG1      ARG  10  10.445   3.703   1.056
   74    HD2  ARG  10           HD2      ARG  10   8.386   4.724   1.924
   75    HD3  ARG  10           HD1      ARG  10   9.464   5.907   1.193
   76    HE   ARG  10           HE       ARG  10   7.920   5.565  -0.847
   77   HH11  ARG  10          HH11      ARG  10   6.905   5.471   2.501
   78   HH12  ARG  10          HH12      ARG  10   5.302   6.039   2.164
   79   HH21  ARG  10          HH21      ARG  10   5.810   6.340  -1.292
   80   HH22  ARG  10          HH22      ARG  10   4.684   6.544   0.012
   81    H    ASN  11           HN       ASN  11  13.421   4.142  -1.662
   82    HA   ASN  11           HA       ASN  11  15.431   3.662  -0.696
   83    HB2  ASN  11           HB2      ASN  11  13.754   2.748   1.655
   84    HB3  ASN  11           HB1      ASN  11  15.465   3.152   1.697
   85   HD21  ASN  11          HD21      ASN  11  13.153   4.252   3.134
   86   HD22  ASN  11          HD22      ASN  11  13.181   5.953   2.824
   87    H    ALA  12           HN       ALA  12  13.920   1.633  -2.215
   88    HA   ALA  12           HA       ALA  12  13.996  -0.537  -2.843
   89    HB1  ALA  12           HB1      ALA  12  16.426  -0.219  -2.777
   90    HB2  ALA  12           HB2      ALA  12  15.975  -1.860  -2.310
   91    HB3  ALA  12           HB3      ALA  12  16.441  -0.688  -1.076
   92    H    VAL  13           HN       VAL  13  12.667   0.363  -0.293
   93    HA   VAL  13           HA       VAL  13  12.332  -2.310   0.906
   94    HB   VAL  13           HB       VAL  13  11.580   0.333   2.163
   95   HG11  VAL  13          HG11      VAL  13  10.306  -1.570   2.981
   96   HG12  VAL  13          HG12      VAL  13  11.402  -0.971   4.224
   97   HG13  VAL  13          HG13      VAL  13  11.802  -2.436   3.329
   98   HG21  VAL  13          HG21      VAL  13  14.030  -1.343   2.691
   99   HG22  VAL  13          HG22      VAL  13  13.545   0.091   3.596
  100   HG23  VAL  13          HG23      VAL  13  14.005   0.230   1.899
  101    H    ARG  14           HN       ARG  14  10.370  -3.235   0.712
  102    HA   ARG  14           HA       ARG  14   8.317  -1.833  -0.768
  103    HB2  ARG  14           HB2      ARG  14   9.038  -4.257  -1.161
  104    HB3  ARG  14           HB1      ARG  14   8.184  -4.637   0.329
  105    HG2  ARG  14           HG2      ARG  14   6.135  -3.642  -0.680
  106    HG3  ARG  14           HG1      ARG  14   7.036  -3.495  -2.189
  107    HD2  ARG  14           HD2      ARG  14   5.704  -5.509  -2.241
  108    HD3  ARG  14           HD1      ARG  14   7.413  -5.935  -2.168
  109    HE   ARG  14           HE       ARG  14   6.882  -6.096   0.371
  110   HH11  ARG  14          HH11      ARG  14   4.817  -7.113  -2.269
  111   HH12  ARG  14          HH12      ARG  14   3.991  -8.307  -1.325
  112   HH21  ARG  14          HH21      ARG  14   5.796  -7.661   1.610
  113   HH22  ARG  14          HH22      ARG  14   4.546  -8.618   0.883
  114    H    VAL  15           HN       VAL  15   6.702  -0.780   0.213
  115    HA   VAL  15           HA       VAL  15   5.881  -1.717   2.881
  116    HB   VAL  15           HB       VAL  15   7.207   0.369   3.039
  117   HG11  VAL  15          HG11      VAL  15   6.332   2.486   2.290
  118   HG12  VAL  15          HG12      VAL  15   4.932   1.682   1.583
  119   HG13  VAL  15          HG13      VAL  15   6.541   1.396   0.917
  120   HG21  VAL  15          HG21      VAL  15   4.314   0.622   3.828
  121   HG22  VAL  15          HG22      VAL  15   5.643   1.571   4.495
  122   HG23  VAL  15          HG23      VAL  15   5.588  -0.172   4.755
  123    H    CYS  16           HN       CYS  16   3.830  -2.326   2.933
  124    HA   CYS  16           HA       CYS  16   2.030  -1.328   0.849
  125    HB2  CYS  16           HB2      CYS  16   2.368  -3.899   2.133
  126    HB3  CYS  16           HB1      CYS  16   0.702  -3.344   2.234
  127    H    HIS  17           HN       HIS  17   0.423  -0.044   1.271
  128    HA   HIS  17           HA       HIS  17  -0.419   0.342   4.080
  129    HB2  HIS  17           HB2      HIS  17  -1.039   2.389   1.999
  130    HB3  HIS  17           HB1      HIS  17  -0.740   2.606   3.713
  131    HD1  HIS  17           HD1      HIS  17   0.723   3.237   0.537
  132    HD2  HIS  17           HD2      HIS  17   2.202   2.226   4.281
  133    HE1  HIS  17           HE1      HIS  17   3.139   3.893   0.502
  134    HE2  HIS  17           HE2      HIS  17   3.920   3.540   2.870
  135    H    ARG  18           HN       ARG  18  -2.619   0.102   4.483
  136    HA   ARG  18           HA       ARG  18  -4.164  -0.932   2.241
  137    HB2  ARG  18           HB2      ARG  18  -4.151  -2.187   4.372
  138    HB3  ARG  18           HB1      ARG  18  -4.889  -0.808   5.174
  139    HG2  ARG  18           HG2      ARG  18  -6.900  -1.060   3.964
  140    HG3  ARG  18           HG1      ARG  18  -6.166  -2.211   2.846
  141    HD2  ARG  18           HD2      ARG  18  -5.895  -3.810   4.674
  142    HD3  ARG  18           HD1      ARG  18  -6.619  -2.660   5.794
  143    HE   ARG  18           HE       ARG  18  -8.667  -2.854   4.357
  144   HH11  ARG  18          HH11      ARG  18  -6.342  -5.469   4.562
  145   HH12  ARG  18          HH12      ARG  18  -7.509  -6.695   4.185
  146   HH21  ARG  18          HH21      ARG  18 -10.194  -4.479   3.855
  147   HH22  ARG  18          HH22      ARG  18  -9.680  -6.135   3.767
  148    H    ARG  19           HN       ARG  19  -4.879   0.683   1.029
  149    HA   ARG  19           HA       ARG  19  -6.043   3.045   2.332
  150    HB2  ARG  19           HB2      ARG  19  -5.541   4.273   0.414
  151    HB3  ARG  19           HB1      ARG  19  -4.179   3.168   0.523
  152    HG2  ARG  19           HG2      ARG  19  -4.598   2.727  -1.618
  153    HG3  ARG  19           HG1      ARG  19  -5.956   1.764  -1.031
  154    HD2  ARG  19           HD2      ARG  19  -6.801   3.226  -2.710
  155    HD3  ARG  19           HD1      ARG  19  -7.355   3.846  -1.152
  156    HE   ARG  19           HE       ARG  19  -4.888   5.013  -2.117
  157   HH11  ARG  19          HH11      ARG  19  -8.378   5.274  -2.011
  158   HH12  ARG  19          HH12      ARG  19  -8.392   6.955  -2.423
  159   HH21  ARG  19          HH21      ARG  19  -4.912   7.233  -2.664
  160   HH22  ARG  19          HH22      ARG  19  -6.427   8.065  -2.803
  161    H    CYS  20           HN       CYS  20  -7.986   3.960   1.227
  162    HA   CYS  20           HA       CYS  20  -9.705   1.821   0.173
  163    HB2  CYS  20           HB2      CYS  20 -10.450   3.911   2.218
  164    HB3  CYS  20           HB1      CYS  20 -11.576   2.774   1.484
  165    H    ASN  21           HN       ASN  21 -11.027   2.358  -1.480
  166    HA   ASN  21           HA       ASN  21 -11.499   5.156  -2.131
  167    HB2  ASN  21           HB2      ASN  21  -9.458   4.695  -3.375
  168    HB3  ASN  21           HB1      ASN  21 -10.162   3.228  -4.045
  169   HD21  ASN  21          HD21      ASN  21 -11.621   3.371  -5.712
  170   HD22  ASN  21          HD22      ASN  21 -11.916   4.836  -6.580
  Start of MODEL   18
    1    H1   ALA   1           HT1      ALA   1 -17.042   1.598   1.303
    2    H2   ALA   1           HT2      ALA   1 -16.722   3.155   1.878
    3    H3   ALA   1           HT3      ALA   1 -15.838   1.841   2.462
    4    HA   ALA   1           HA       ALA   1 -15.806   2.764  -0.348
    5    HB1  ALA   1           HB1      ALA   1 -13.583   3.651   0.137
    6    HB2  ALA   1           HB2      ALA   1 -13.758   3.184   1.829
    7    HB3  ALA   1           HB3      ALA   1 -14.803   4.427   1.144
    8    H    PHE   2           HN       PHE   2 -13.905   1.815  -1.494
    9    HA   PHE   2           HA       PHE   2 -13.495  -0.955  -0.637
   10    HB2  PHE   2           HB2      PHE   2 -14.238  -0.626  -2.959
   11    HB3  PHE   2           HB1      PHE   2 -12.835   0.391  -3.272
   12    HD1  PHE   2           HD1      PHE   2 -10.735  -0.539  -3.762
   13    HD2  PHE   2           HD2      PHE   2 -13.945  -3.035  -2.535
   14    HE1  PHE   2           HE1      PHE   2  -9.435  -2.514  -4.413
   15    HE2  PHE   2           HE2      PHE   2 -12.657  -5.019  -3.184
   16    HZ   PHE   2           HZ       PHE   2 -10.394  -4.768  -4.125
   17    H    CYS   3           HN       CYS   3 -11.640  -1.577   0.248
   18    HA   CYS   3           HA       CYS   3  -9.337   0.239   0.032
   19    HB2  CYS   3           HB2      CYS   3  -9.981  -1.539   2.390
   20    HB3  CYS   3           HB1      CYS   3  -8.735  -0.299   2.297
   21    H    TRP   4           HN       TRP   4  -7.306  -0.662  -0.210
   22    HA   TRP   4           HA       TRP   4  -7.018  -3.546  -0.312
   23    HB2  TRP   4           HB2      TRP   4  -6.220  -3.634  -2.592
   24    HB3  TRP   4           HB1      TRP   4  -7.826  -2.921  -2.589
   25    HD1  TRP   4           HD1      TRP   4  -4.229  -2.186  -3.514
   26    HE1  TRP   4           HE1      TRP   4  -4.112   0.076  -4.725
   27    HE3  TRP   4           HE3      TRP   4  -8.985  -0.516  -2.620
   28    HZ2  TRP   4           HZ2      TRP   4  -5.772   2.273  -5.216
   29    HZ3  TRP   4           HZ3      TRP   4  -9.634   1.689  -3.499
   30    HH2  TRP   4           HH2      TRP   4  -8.061   3.055  -4.772
   31    H    ASN   5           HN       ASN   5  -4.674  -4.102  -0.846
   32    HA   ASN   5           HA       ASN   5  -3.005  -2.223   0.640
   33    HB2  ASN   5           HB2      ASN   5  -1.482  -4.057   1.022
   34    HB3  ASN   5           HB1      ASN   5  -3.111  -4.593   1.402
   35   HD21  ASN   5          HD21      ASN   5  -4.136  -6.081   0.016
   36   HD22  ASN   5          HD22      ASN   5  -3.231  -7.033  -1.112
   37    H    VAL   6           HN       VAL   6  -1.560  -1.012  -0.300
   38    HA   VAL   6           HA       VAL   6  -0.653  -1.699  -3.023
   39    HB   VAL   6           HB       VAL   6  -0.587   1.038  -1.755
   40   HG11  VAL   6          HG11      VAL   6   1.016   0.695  -3.548
   41   HG12  VAL   6          HG12      VAL   6  -0.252   1.815  -4.048
   42   HG13  VAL   6          HG13      VAL   6  -0.276   0.145  -4.614
   43   HG21  VAL   6          HG21      VAL   6  -2.522   1.612  -3.143
   44   HG22  VAL   6          HG22      VAL   6  -2.905   0.365  -1.955
   45   HG23  VAL   6          HG23      VAL   6  -2.649  -0.074  -3.644
   46    H    CYS   7           HN       CYS   7   1.331  -2.591  -2.902
   47    HA   CYS   7           HA       CYS   7   3.138  -1.668  -0.795
   48    HB2  CYS   7           HB2      CYS   7   2.639  -4.212  -1.872
   49    HB3  CYS   7           HB1      CYS   7   4.258  -3.770  -2.400
   50    H    VAL   8           HN       VAL   8   4.668  -0.323  -1.176
   51    HA   VAL   8           HA       VAL   8   5.476   0.175  -3.973
   52    HB   VAL   8           HB       VAL   8   5.230   2.153  -1.705
   53   HG11  VAL   8          HG11      VAL   8   7.130   2.763  -3.034
   54   HG12  VAL   8          HG12      VAL   8   5.803   3.867  -3.400
   55   HG13  VAL   8          HG13      VAL   8   6.203   2.566  -4.522
   56   HG21  VAL   8          HG21      VAL   8   3.672   1.890  -4.270
   57   HG22  VAL   8          HG22      VAL   8   3.505   3.204  -3.108
   58   HG23  VAL   8          HG23      VAL   8   3.074   1.558  -2.645
   59    H    TYR   9           HN       TYR   9   7.617   0.217  -4.396
   60    HA   TYR   9           HA       TYR   9   9.491  -0.400  -2.301
   61    HB2  TYR   9           HB2      TYR   9   9.531  -0.310  -5.235
   62    HB3  TYR   9           HB1      TYR   9  11.013   0.267  -4.489
   63    HD1  TYR   9           HD1      TYR   9   8.964  -2.632  -5.218
   64    HD2  TYR   9           HD2      TYR   9  12.312  -1.230  -3.003
   65    HE1  TYR   9           HE1      TYR   9   9.703  -4.952  -4.876
   66    HE2  TYR   9           HE2      TYR   9  13.064  -3.542  -2.658
   67    HH   TYR   9           HH       TYR   9  12.018  -5.830  -2.616
   68    H    ARG  10           HN       ARG  10   9.708   1.211  -0.913
   69    HA   ARG  10           HA       ARG  10  10.425   3.862  -1.984
   70    HB2  ARG  10           HB2      ARG  10   8.158   3.714  -0.891
   71    HB3  ARG  10           HB1      ARG  10   8.971   3.296   0.607
   72    HG2  ARG  10           HG2      ARG  10  10.157   5.460   0.526
   73    HG3  ARG  10           HG1      ARG  10   9.237   5.867  -0.926
   74    HD2  ARG  10           HD2      ARG  10   7.148   5.577   0.369
   75    HD3  ARG  10           HD1      ARG  10   8.119   5.304   1.814
   76    HE   ARG  10           HE       ARG  10   8.709   7.778   0.469
   77   HH11  ARG  10          HH11      ARG  10   6.677   6.208   2.849
   78   HH12  ARG  10          HH12      ARG  10   6.259   7.686   3.654
   79   HH21  ARG  10          HH21      ARG  10   8.151   9.724   1.522
   80   HH22  ARG  10          HH22      ARG  10   7.091   9.684   2.896
   81    H    ASN  11           HN       ASN  11  12.432   4.419  -1.488
   82    HA   ASN  11           HA       ASN  11  14.495   4.463  -0.548
   83    HB2  ASN  11           HB2      ASN  11  12.954   3.639   1.923
   84    HB3  ASN  11           HB1      ASN  11  14.672   4.021   1.932
   85   HD21  ASN  11          HD21      ASN  11  12.370   5.318   3.253
   86   HD22  ASN  11          HD22      ASN  11  12.436   6.974   2.756
   87    H    ALA  12           HN       ALA  12  13.584   2.208  -1.952
   88    HA   ALA  12           HA       ALA  12  14.256   0.153  -2.596
   89    HB1  ALA  12           HB1      ALA  12  16.519   0.987  -2.192
   90    HB2  ALA  12           HB2      ALA  12  16.383  -0.730  -1.812
   91    HB3  ALA  12           HB3      ALA  12  16.416   0.462  -0.513
   92    H    VAL  13           HN       VAL  13  12.427   0.628  -0.245
   93    HA   VAL  13           HA       VAL  13  12.467  -2.149   0.738
   94    HB   VAL  13           HB       VAL  13  11.575   0.256   2.333
   95   HG11  VAL  13          HG11      VAL  13  10.315  -1.758   2.864
   96   HG12  VAL  13          HG12      VAL  13  11.379  -1.314   4.198
   97   HG13  VAL  13          HG13      VAL  13  11.819  -2.640   3.124
   98   HG21  VAL  13          HG21      VAL  13  14.003   0.215   2.101
   99   HG22  VAL  13          HG22      VAL  13  14.036  -1.451   2.672
  100   HG23  VAL  13          HG23      VAL  13  13.521  -0.160   3.754
  101    H    ARG  14           HN       ARG  14  10.590  -3.225   0.512
  102    HA   ARG  14           HA       ARG  14   8.442  -1.934  -0.919
  103    HB2  ARG  14           HB2      ARG  14   9.399  -4.278  -1.357
  104    HB3  ARG  14           HB1      ARG  14   8.487  -4.782   0.058
  105    HG2  ARG  14           HG2      ARG  14   6.433  -3.929  -1.037
  106    HG3  ARG  14           HG1      ARG  14   7.402  -3.613  -2.478
  107    HD2  ARG  14           HD2      ARG  14   6.325  -5.719  -2.782
  108    HD3  ARG  14           HD1      ARG  14   8.035  -6.031  -2.485
  109    HE   ARG  14           HE       ARG  14   6.806  -6.172  -0.020
  110   HH11  ARG  14          HH11      ARG  14   6.587  -7.842  -3.083
  111   HH12  ARG  14          HH12      ARG  14   6.003  -9.318  -2.388
  112   HH21  ARG  14          HH21      ARG  14   6.030  -8.113   0.911
  113   HH22  ARG  14          HH22      ARG  14   5.682  -9.471  -0.111
  114    H    VAL  15           HN       VAL  15   7.063  -0.752   0.279
  115    HA   VAL  15           HA       VAL  15   6.141  -1.899   2.832
  116    HB   VAL  15           HB       VAL  15   5.402   0.468   3.360
  117   HG11  VAL  15          HG11      VAL  15   8.351  -0.074   3.025
  118   HG12  VAL  15          HG12      VAL  15   7.352  -0.568   4.391
  119   HG13  VAL  15          HG13      VAL  15   7.644   1.144   4.088
  120   HG21  VAL  15          HG21      VAL  15   7.219   1.097   1.033
  121   HG22  VAL  15          HG22      VAL  15   6.589   2.274   2.186
  122   HG23  VAL  15          HG23      VAL  15   5.482   1.404   1.123
  123    H    CYS  16           HN       CYS  16   4.123  -2.551   2.977
  124    HA   CYS  16           HA       CYS  16   2.261  -1.980   0.804
  125    HB2  CYS  16           HB2      CYS  16   2.224  -3.965   3.075
  126    HB3  CYS  16           HB1      CYS  16   0.840  -3.707   2.026
  127    H    HIS  17           HN       HIS  17   0.743  -0.464   0.987
  128    HA   HIS  17           HA       HIS  17  -0.062   0.395   3.700
  129    HB2  HIS  17           HB2      HIS  17  -0.723   2.015   1.278
  130    HB3  HIS  17           HB1      HIS  17  -0.453   2.549   2.927
  131    HD1  HIS  17           HD1      HIS  17   1.032   2.691  -0.274
  132    HD2  HIS  17           HD2      HIS  17   2.505   2.226   3.586
  133    HE1  HIS  17           HE1      HIS  17   3.455   3.324  -0.396
  134    HE2  HIS  17           HE2      HIS  17   4.259   3.261   1.997
  135    H    ARG  18           HN       ARG  18  -2.192   0.231   4.257
  136    HA   ARG  18           HA       ARG  18  -4.008  -0.937   2.297
  137    HB2  ARG  18           HB2      ARG  18  -3.889  -1.862   4.625
  138    HB3  ARG  18           HB1      ARG  18  -4.523  -0.332   5.218
  139    HG2  ARG  18           HG2      ARG  18  -6.533  -0.686   3.800
  140    HG3  ARG  18           HG1      ARG  18  -5.910  -2.286   3.401
  141    HD2  ARG  18           HD2      ARG  18  -7.504  -2.500   5.183
  142    HD3  ARG  18           HD1      ARG  18  -5.892  -2.825   5.819
  143    HE   ARG  18           HE       ARG  18  -6.923  -0.113   6.106
  144   HH11  ARG  18          HH11      ARG  18  -6.299  -3.224   7.578
  145   HH12  ARG  18          HH12      ARG  18  -6.387  -2.619   9.200
  146   HH21  ARG  18          HH21      ARG  18  -7.067   0.686   8.239
  147   HH22  ARG  18          HH22      ARG  18  -6.825  -0.390   9.577
  148    H    ARG  19           HN       ARG  19  -4.735   0.601   0.949
  149    HA   ARG  19           HA       ARG  19  -5.599   3.159   2.125
  150    HB2  ARG  19           HB2      ARG  19  -4.892   4.263   0.230
  151    HB3  ARG  19           HB1      ARG  19  -3.718   2.957   0.298
  152    HG2  ARG  19           HG2      ARG  19  -4.255   2.558  -1.819
  153    HG3  ARG  19           HG1      ARG  19  -5.774   1.893  -1.207
  154    HD2  ARG  19           HD2      ARG  19  -6.256   3.531  -2.911
  155    HD3  ARG  19           HD1      ARG  19  -6.769   4.155  -1.339
  156    HE   ARG  19           HE       ARG  19  -4.122   4.915  -2.327
  157   HH11  ARG  19          HH11      ARG  19  -7.447   5.816  -1.675
  158   HH12  ARG  19          HH12      ARG  19  -7.134   7.517  -1.788
  159   HH21  ARG  19          HH21      ARG  19  -3.708   7.147  -2.445
  160   HH22  ARG  19          HH22      ARG  19  -5.005   8.278  -2.218
  161    H    CYS  20           HN       CYS  20  -7.462   4.192   0.980
  162    HA   CYS  20           HA       CYS  20  -9.386   2.156   0.085
  163    HB2  CYS  20           HB2      CYS  20  -9.904   4.415   2.013
  164    HB3  CYS  20           HB1      CYS  20 -11.126   3.305   1.400
  165    H    ASN  21           HN       ASN  21 -11.141   2.939  -1.186
  166    HA   ASN  21           HA       ASN  21 -10.782   5.621  -2.339
  167    HB2  ASN  21           HB2      ASN  21  -9.843   3.969  -3.910
  168    HB3  ASN  21           HB1      ASN  21 -11.366   3.087  -3.896
  169   HD21  ASN  21          HD21      ASN  21 -13.118   3.891  -5.024
  170   HD22  ASN  21          HD22      ASN  21 -12.973   5.189  -6.158
  Start of MODEL   19
    1    H1   ALA   1           HT1      ALA   1 -16.685   0.497   1.875
    2    H2   ALA   1           HT2      ALA   1 -16.745   2.174   2.072
    3    H3   ALA   1           HT3      ALA   1 -15.461   1.289   2.725
    4    HA   ALA   1           HA       ALA   1 -16.045   1.562  -0.162
    5    HB1  ALA   1           HB1      ALA   1 -15.268   3.660   0.851
    6    HB2  ALA   1           HB2      ALA   1 -14.078   2.981  -0.258
    7    HB3  ALA   1           HB3      ALA   1 -13.854   2.818   1.482
    8    H    PHE   2           HN       PHE   2 -14.372   0.686  -1.513
    9    HA   PHE   2           HA       PHE   2 -13.364  -1.820  -0.557
   10    HB2  PHE   2           HB2      PHE   2 -14.165  -1.572  -2.864
   11    HB3  PHE   2           HB1      PHE   2 -12.913  -0.377  -3.182
   12    HD1  PHE   2           HD1      PHE   2 -10.666  -1.024  -3.600
   13    HD2  PHE   2           HD2      PHE   2 -13.607  -3.916  -2.600
   14    HE1  PHE   2           HE1      PHE   2  -9.141  -2.808  -4.307
   15    HE2  PHE   2           HE2      PHE   2 -12.099  -5.712  -3.310
   16    HZ   PHE   2           HZ       PHE   2  -9.851  -5.157  -4.186
   17    H    CYS   3           HN       CYS   3 -11.381  -2.278   0.195
   18    HA   CYS   3           HA       CYS   3  -9.338  -0.163   0.038
   19    HB2  CYS   3           HB2      CYS   3  -9.746  -2.059   2.357
   20    HB3  CYS   3           HB1      CYS   3  -8.629  -0.701   2.282
   21    H    TRP   4           HN       TRP   4  -7.130  -0.878   0.026
   22    HA   TRP   4           HA       TRP   4  -6.563  -3.682  -0.259
   23    HB2  TRP   4           HB2      TRP   4  -5.756  -3.656  -2.522
   24    HB3  TRP   4           HB1      TRP   4  -7.409  -3.066  -2.530
   25    HD1  TRP   4           HD1      TRP   4  -3.818  -1.948  -3.205
   26    HE1  TRP   4           HE1      TRP   4  -3.877   0.291  -4.470
   27    HE3  TRP   4           HE3      TRP   4  -8.805  -0.916  -2.800
   28    HZ2  TRP   4           HZ2      TRP   4  -5.771   2.237  -5.184
   29    HZ3  TRP   4           HZ3      TRP   4  -9.661   1.159  -3.801
   30    HH2  TRP   4           HH2      TRP   4  -8.175   2.705  -4.970
   31    H    ASN   5           HN       ASN   5  -4.215  -3.998  -0.843
   32    HA   ASN   5           HA       ASN   5  -2.672  -2.157   0.800
   33    HB2  ASN   5           HB2      ASN   5  -0.945  -3.939   0.770
   34    HB3  ASN   5           HB1      ASN   5  -2.491  -4.502   1.385
   35   HD21  ASN   5          HD21      ASN   5  -0.206  -5.933   0.184
   36   HD22  ASN   5          HD22      ASN   5  -0.871  -6.835  -1.134
   37    H    VAL   6           HN       VAL   6  -1.721  -0.530  -0.192
   38    HA   VAL   6           HA       VAL   6  -0.745  -0.849  -2.929
   39    HB   VAL   6           HB       VAL   6  -0.730   1.616  -1.174
   40   HG11  VAL   6          HG11      VAL   6   1.002   1.647  -2.897
   41   HG12  VAL   6          HG12      VAL   6  -0.263   2.827  -3.249
   42   HG13  VAL   6          HG13      VAL   6  -0.210   1.298  -4.129
   43   HG21  VAL   6          HG21      VAL   6  -3.002   0.958  -1.656
   44   HG22  VAL   6          HG22      VAL   6  -2.623   0.794  -3.370
   45   HG23  VAL   6          HG23      VAL   6  -2.584   2.384  -2.608
   46    H    CYS   7           HN       CYS   7   1.151  -1.869  -3.004
   47    HA   CYS   7           HA       CYS   7   3.170  -1.349  -0.970
   48    HB2  CYS   7           HB2      CYS   7   2.738  -3.478  -2.991
   49    HB3  CYS   7           HB1      CYS   7   4.403  -3.104  -2.566
   50    H    VAL   8           HN       VAL   8   4.669   0.072  -1.220
   51    HA   VAL   8           HA       VAL   8   5.446   0.917  -3.944
   52    HB   VAL   8           HB       VAL   8   5.458   2.516  -1.379
   53   HG11  VAL   8          HG11      VAL   8   7.358   3.121  -2.768
   54   HG12  VAL   8          HG12      VAL   8   6.166   4.421  -2.731
   55   HG13  VAL   8          HG13      VAL   8   6.283   3.371  -4.146
   56   HG21  VAL   8          HG21      VAL   8   3.223   2.251  -2.283
   57   HG22  VAL   8          HG22      VAL   8   3.779   2.798  -3.864
   58   HG23  VAL   8          HG23      VAL   8   3.774   3.914  -2.498
   59    H    TYR   9           HN       TYR   9   7.599   0.843  -4.428
   60    HA   TYR   9           HA       TYR   9   9.386  -0.297  -2.439
   61    HB2  TYR   9           HB2      TYR   9   9.238  -0.460  -5.231
   62    HB3  TYR   9           HB1      TYR   9  10.665   0.511  -4.920
   63    HD1  TYR   9           HD1      TYR   9   9.055  -2.709  -3.949
   64    HD2  TYR   9           HD2      TYR   9  12.678  -0.531  -4.413
   65    HE1  TYR   9           HE1      TYR   9  10.337  -4.752  -3.466
   66    HE2  TYR   9           HE2      TYR   9  13.969  -2.566  -3.934
   67    HH   TYR   9           HH       TYR   9  12.499  -5.690  -3.778
   68    H    ARG  10           HN       ARG  10   9.833   1.222  -0.969
   69    HA   ARG  10           HA       ARG  10  11.025   3.734  -1.926
   70    HB2  ARG  10           HB2      ARG  10   8.679   3.875  -0.917
   71    HB3  ARG  10           HB1      ARG  10   9.421   3.419   0.608
   72    HG2  ARG  10           HG2      ARG  10   9.094   5.793   0.469
   73    HG3  ARG  10           HG1      ARG  10  10.814   5.412   0.542
   74    HD2  ARG  10           HD2      ARG  10  10.349   7.178  -1.085
   75    HD3  ARG  10           HD1      ARG  10  10.989   5.739  -1.870
   76    HE   ARG  10           HE       ARG  10   8.891   5.342  -2.833
   77   HH11  ARG  10          HH11      ARG  10   8.878   8.223  -0.838
   78   HH12  ARG  10          HH12      ARG  10   7.400   8.833  -1.510
   79   HH21  ARG  10          HH21      ARG  10   6.946   6.154  -3.723
   80   HH22  ARG  10          HH22      ARG  10   6.299   7.656  -3.143
   81    H    ASN  11           HN       ASN  11  13.020   4.098  -1.160
   82    HA   ASN  11           HA       ASN  11  15.006   3.741  -0.110
   83    HB2  ASN  11           HB2      ASN  11  13.253   2.727   2.145
   84    HB3  ASN  11           HB1      ASN  11  14.983   3.008   2.278
   85   HD21  ASN  11          HD21      ASN  11  14.874   5.411   0.605
   86   HD22  ASN  11          HD22      ASN  11  14.172   6.640   1.595
   87    H    ALA  12           HN       ALA  12  13.754   1.785  -1.809
   88    HA   ALA  12           HA       ALA  12  14.066  -0.290  -2.635
   89    HB1  ALA  12           HB1      ALA  12  16.329  -0.496  -0.647
   90    HB2  ALA  12           HB2      ALA  12  16.450   0.197  -2.264
   91    HB3  ALA  12           HB3      ALA  12  16.078  -1.515  -2.065
   92    H    VAL  13           HN       VAL  13  12.457   0.245  -0.112
   93    HA   VAL  13           HA       VAL  13  12.157  -2.589   0.640
   94    HB   VAL  13           HB       VAL  13  11.365  -0.211   2.336
   95   HG11  VAL  13          HG11      VAL  13   9.995  -2.158   2.754
   96   HG12  VAL  13          HG12      VAL  13  11.097  -1.909   4.109
   97   HG13  VAL  13          HG13      VAL  13  11.430  -3.168   2.922
   98   HG21  VAL  13          HG21      VAL  13  13.749  -2.041   2.625
   99   HG22  VAL  13          HG22      VAL  13  13.252  -0.809   3.786
  100   HG23  VAL  13          HG23      VAL  13  13.793  -0.335   2.176
  101    H    ARG  14           HN       ARG  14  10.162  -3.477   0.373
  102    HA   ARG  14           HA       ARG  14   8.237  -1.904  -1.118
  103    HB2  ARG  14           HB2      ARG  14   8.875  -4.149  -1.896
  104    HB3  ARG  14           HB1      ARG  14   8.252  -4.834  -0.402
  105    HG2  ARG  14           HG2      ARG  14   6.031  -4.041  -0.963
  106    HG3  ARG  14           HG1      ARG  14   6.644  -3.369  -2.474
  107    HD2  ARG  14           HD2      ARG  14   6.712  -6.269  -1.667
  108    HD3  ARG  14           HD1      ARG  14   5.583  -5.550  -2.813
  109    HE   ARG  14           HE       ARG  14   7.761  -4.936  -4.060
  110   HH11  ARG  14          HH11      ARG  14   7.157  -7.890  -2.285
  111   HH12  ARG  14          HH12      ARG  14   8.294  -8.825  -3.202
  112   HH21  ARG  14          HH21      ARG  14   9.252  -6.160  -5.278
  113   HH22  ARG  14          HH22      ARG  14   9.487  -7.839  -4.908
  114    H    VAL  15           HN       VAL  15   7.115  -0.609   0.237
  115    HA   VAL  15           HA       VAL  15   5.983  -1.801   2.668
  116    HB   VAL  15           HB       VAL  15   5.493   0.543   3.357
  117   HG11  VAL  15          HG11      VAL  15   7.478  -0.593   4.170
  118   HG12  VAL  15          HG12      VAL  15   7.822   1.115   3.900
  119   HG13  VAL  15          HG13      VAL  15   8.376  -0.090   2.738
  120   HG21  VAL  15          HG21      VAL  15   7.112   1.252   0.913
  121   HG22  VAL  15          HG22      VAL  15   6.651   2.377   2.192
  122   HG23  VAL  15          HG23      VAL  15   5.409   1.623   1.191
  123    H    CYS  16           HN       CYS  16   3.891  -2.268   2.787
  124    HA   CYS  16           HA       CYS  16   2.134  -1.264   0.671
  125    HB2  CYS  16           HB2      CYS  16   2.302  -3.770   2.131
  126    HB3  CYS  16           HB1      CYS  16   0.671  -3.112   2.126
  127    H    HIS  17           HN       HIS  17   0.601   0.133   1.035
  128    HA   HIS  17           HA       HIS  17  -0.113   0.772   3.824
  129    HB2  HIS  17           HB2      HIS  17  -0.832   2.585   1.560
  130    HB3  HIS  17           HB1      HIS  17  -0.477   2.987   3.231
  131    HD1  HIS  17           HD1      HIS  17   0.851   3.459   0.021
  132    HD2  HIS  17           HD2      HIS  17   2.525   2.452   3.684
  133    HE1  HIS  17           HE1      HIS  17   3.288   4.028  -0.174
  134    HE2  HIS  17           HE2      HIS  17   4.216   3.647   2.136
  135    H    ARG  18           HN       ARG  18  -2.266   0.631   4.400
  136    HA   ARG  18           HA       ARG  18  -3.986  -0.658   2.438
  137    HB2  ARG  18           HB2      ARG  18  -3.898  -1.630   4.681
  138    HB3  ARG  18           HB1      ARG  18  -4.444  -0.109   5.376
  139    HG2  ARG  18           HG2      ARG  18  -6.563  -0.307   4.221
  140    HG3  ARG  18           HG1      ARG  18  -6.021  -1.792   3.444
  141    HD2  ARG  18           HD2      ARG  18  -5.832  -2.867   5.627
  142    HD3  ARG  18           HD1      ARG  18  -6.361  -1.379   6.405
  143    HE   ARG  18           HE       ARG  18  -8.106  -2.722   4.462
  144   HH11  ARG  18          HH11      ARG  18  -7.476  -1.650   7.743
  145   HH12  ARG  18          HH12      ARG  18  -9.113  -1.889   8.268
  146   HH21  ARG  18          HH21      ARG  18 -10.266  -3.032   5.159
  147   HH22  ARG  18          HH22      ARG  18 -10.691  -2.677   6.804
  148    H    ARG  19           HN       ARG  19  -4.784   0.800   1.058
  149    HA   ARG  19           HA       ARG  19  -6.013   3.226   2.190
  150    HB2  ARG  19           HB2      ARG  19  -5.490   4.393   0.248
  151    HB3  ARG  19           HB1      ARG  19  -4.088   3.353   0.446
  152    HG2  ARG  19           HG2      ARG  19  -4.424   2.872  -1.710
  153    HG3  ARG  19           HG1      ARG  19  -5.685   1.792  -1.107
  154    HD2  ARG  19           HD2      ARG  19  -6.600   3.141  -2.872
  155    HD3  ARG  19           HD1      ARG  19  -7.311   3.650  -1.338
  156    HE   ARG  19           HE       ARG  19  -5.053   5.233  -1.873
  157   HH11  ARG  19          HH11      ARG  19  -8.315   4.710  -3.030
  158   HH12  ARG  19          HH12      ARG  19  -8.498   6.320  -3.645
  159   HH21  ARG  19          HH21      ARG  19  -5.294   7.372  -2.678
  160   HH22  ARG  19          HH22      ARG  19  -6.778   7.833  -3.449
  161    H    CYS  20           HN       CYS  20  -7.956   3.994   0.973
  162    HA   CYS  20           HA       CYS  20  -9.530   1.750  -0.083
  163    HB2  CYS  20           HB2      CYS  20 -10.560   3.826   1.849
  164    HB3  CYS  20           HB1      CYS  20 -11.452   2.446   1.219
  165    H    ASN  21           HN       ASN  21 -11.027   2.270  -1.667
  166    HA   ASN  21           HA       ASN  21 -10.609   4.876  -2.925
  167    HB2  ASN  21           HB2      ASN  21 -10.382   2.903  -4.355
  168    HB3  ASN  21           HB1      ASN  21 -12.011   2.385  -3.936
  169   HD21  ASN  21          HD21      ASN  21 -13.756   3.400  -4.871
  170   HD22  ASN  21          HD22      ASN  21 -13.606   4.483  -6.210
  Start of MODEL   20
    1    H1   ALA   1           HT1      ALA   1 -17.520  -0.079  -0.867
    2    H2   ALA   1           HT2      ALA   1 -17.866   1.275   0.083
    3    H3   ALA   1           HT3      ALA   1 -17.258  -0.129   0.800
    4    HA   ALA   1           HA       ALA   1 -15.818   1.586  -1.131
    5    HB1  ALA   1           HB1      ALA   1 -14.400   2.189   0.760
    6    HB2  ALA   1           HB2      ALA   1 -15.395   1.208   1.832
    7    HB3  ALA   1           HB3      ALA   1 -16.077   2.640   1.063
    8    H    PHE   2           HN       PHE   2 -13.949   0.764  -1.915
    9    HA   PHE   2           HA       PHE   2 -13.292  -1.998  -1.141
   10    HB2  PHE   2           HB2      PHE   2 -13.798  -1.732  -3.515
   11    HB3  PHE   2           HB1      PHE   2 -12.607  -0.445  -3.649
   12    HD1  PHE   2           HD1      PHE   2 -10.402  -0.911  -4.148
   13    HD2  PHE   2           HD2      PHE   2 -12.989  -4.054  -2.934
   14    HE1  PHE   2           HE1      PHE   2  -8.676  -2.545  -4.736
   15    HE2  PHE   2           HE2      PHE   2 -11.268  -5.704  -3.524
   16    HZ   PHE   2           HZ       PHE   2  -9.101  -4.955  -4.430
   17    H    CYS   3           HN       CYS   3 -11.346  -2.478  -0.293
   18    HA   CYS   3           HA       CYS   3  -9.397  -0.288  -0.063
   19    HB2  CYS   3           HB2      CYS   3  -9.919  -2.437   1.998
   20    HB3  CYS   3           HB1      CYS   3  -8.833  -1.062   2.162
   21    H    TRP   4           HN       TRP   4  -7.188  -0.867  -0.120
   22    HA   TRP   4           HA       TRP   4  -6.471  -3.614  -0.649
   23    HB2  TRP   4           HB2      TRP   4  -5.571  -3.282  -2.852
   24    HB3  TRP   4           HB1      TRP   4  -7.250  -2.767  -2.867
   25    HD1  TRP   4           HD1      TRP   4  -3.696  -1.441  -3.276
   26    HE1  TRP   4           HE1      TRP   4  -3.804   0.938  -4.247
   27    HE3  TRP   4           HE3      TRP   4  -8.735  -0.620  -2.891
   28    HZ2  TRP   4           HZ2      TRP   4  -5.745   2.901  -4.761
   29    HZ3  TRP   4           HZ3      TRP   4  -9.633   1.542  -3.644
   30    HH2  TRP   4           HH2      TRP   4  -8.169   3.266  -4.560
   31    H    ASN   5           HN       ASN   5  -4.110  -3.836  -1.003
   32    HA   ASN   5           HA       ASN   5  -2.710  -1.985   0.753
   33    HB2  ASN   5           HB2      ASN   5  -0.875  -3.699   0.656
   34    HB3  ASN   5           HB1      ASN   5  -2.393  -4.288   1.326
   35   HD21  ASN   5          HD21      ASN   5  -0.060  -4.607  -1.171
   36   HD22  ASN   5          HD22      ASN   5  -0.787  -5.958  -1.970
   37    H    VAL   6           HN       VAL   6  -1.800  -0.298  -0.133
   38    HA   VAL   6           HA       VAL   6  -0.760  -0.375  -2.846
   39    HB   VAL   6           HB       VAL   6  -0.632   1.886  -0.843
   40   HG11  VAL   6          HG11      VAL   6  -0.308   1.855  -3.841
   41   HG12  VAL   6          HG12      VAL   6   0.975   2.090  -2.655
   42   HG13  VAL   6          HG13      VAL   6  -0.300   3.296  -2.823
   43   HG21  VAL   6          HG21      VAL   6  -2.573   2.822  -2.032
   44   HG22  VAL   6          HG22      VAL   6  -2.948   1.302  -1.225
   45   HG23  VAL   6          HG23      VAL   6  -2.697   1.337  -2.969
   46    H    CYS   7           HN       CYS   7   1.162  -1.307  -3.084
   47    HA   CYS   7           HA       CYS   7   3.065  -1.186  -0.864
   48    HB2  CYS   7           HB2      CYS   7   2.914  -3.037  -3.241
   49    HB3  CYS   7           HB1      CYS   7   4.182  -3.087  -2.022
   50    H    VAL   8           HN       VAL   8   4.439   0.393  -0.977
   51    HA   VAL   8           HA       VAL   8   5.389   1.340  -3.595
   52    HB   VAL   8           HB       VAL   8   5.627   2.641  -0.883
   53   HG11  VAL   8          HG11      VAL   8   6.296   4.652  -2.129
   54   HG12  VAL   8          HG12      VAL   8   6.295   3.706  -3.618
   55   HG13  VAL   8          HG13      VAL   8   7.436   3.320  -2.327
   56   HG21  VAL   8          HG21      VAL   8   3.938   4.234  -1.710
   57   HG22  VAL   8          HG22      VAL   8   3.311   2.590  -1.586
   58   HG23  VAL   8          HG23      VAL   8   3.750   3.251  -3.160
   59    H    TYR   9           HN       TYR   9   7.469   1.078  -4.171
   60    HA   TYR   9           HA       TYR   9   9.281  -0.169  -2.274
   61    HB2  TYR   9           HB2      TYR   9   9.149   0.073  -5.207
   62    HB3  TYR   9           HB1      TYR   9  10.767   0.183  -4.528
   63    HD1  TYR   9           HD1      TYR   9   7.977  -1.977  -5.275
   64    HD2  TYR   9           HD2      TYR   9  11.657  -1.713  -3.163
   65    HE1  TYR   9           HE1      TYR   9   8.041  -4.427  -5.099
   66    HE2  TYR   9           HE2      TYR   9  11.734  -4.164  -2.981
   67    HH   TYR   9           HH       TYR   9  10.124  -6.066  -3.021
   68    H    ARG  10           HN       ARG  10   9.945   1.276  -0.862
   69    HA   ARG  10           HA       ARG  10  11.039   3.818  -1.866
   70    HB2  ARG  10           HB2      ARG  10   9.022   3.946  -0.368
   71    HB3  ARG  10           HB1      ARG  10   9.994   3.225   0.904
   72    HG2  ARG  10           HG2      ARG  10  11.555   5.149   0.721
   73    HG3  ARG  10           HG1      ARG  10  10.426   5.883  -0.423
   74    HD2  ARG  10           HD2      ARG  10   8.674   5.848   1.276
   75    HD3  ARG  10           HD1      ARG  10   9.790   5.100   2.417
   76    HE   ARG  10           HE       ARG  10  10.760   7.583   1.364
   77   HH11  ARG  10          HH11      ARG  10   8.718   6.135   3.806
   78   HH12  ARG  10          HH12      ARG  10   8.818   7.494   4.880
   79   HH21  ARG  10          HH21      ARG  10  10.913   9.366   2.782
   80   HH22  ARG  10          HH22      ARG  10  10.078   9.328   4.303
   81    H    ASN  11           HN       ASN  11  13.171   3.586  -2.011
   82    HA   ASN  11           HA       ASN  11  15.339   3.129  -1.525
   83    HB2  ASN  11           HB2      ASN  11  14.254   3.131   1.293
   84    HB3  ASN  11           HB1      ASN  11  15.955   2.855   0.940
   85   HD21  ASN  11          HD21      ASN  11  13.877   5.065  -0.837
   86   HD22  ASN  11          HD22      ASN  11  14.675   6.509  -0.324
   87    H    ALA  12           HN       ALA  12  13.800   1.102  -2.459
   88    HA   ALA  12           HA       ALA  12  13.908  -1.106  -2.914
   89    HB1  ALA  12           HB1      ALA  12  15.746  -2.455  -2.088
   90    HB2  ALA  12           HB2      ALA  12  16.153  -1.211  -0.907
   91    HB3  ALA  12           HB3      ALA  12  16.327  -0.881  -2.631
   92    H    VAL  13           HN       VAL  13  12.802   0.137  -0.145
   93    HA   VAL  13           HA       VAL  13  12.091  -2.453   1.040
   94    HB   VAL  13           HB       VAL  13  11.558   0.287   2.173
   95   HG11  VAL  13          HG11      VAL  13  10.102  -1.450   3.045
   96   HG12  VAL  13          HG12      VAL  13  11.238  -0.914   4.284
   97   HG13  VAL  13          HG13      VAL  13  11.502  -2.443   3.445
   98   HG21  VAL  13          HG21      VAL  13  13.834  -1.584   2.813
   99   HG22  VAL  13          HG22      VAL  13  13.478  -0.070   3.643
  100   HG23  VAL  13          HG23      VAL  13  13.967  -0.053   1.948
  101    H    ARG  14           HN       ARG  14  10.153  -3.261   0.658
  102    HA   ARG  14           HA       ARG  14   8.202  -1.723  -0.807
  103    HB2  ARG  14           HB2      ARG  14   8.816  -4.113  -1.342
  104    HB3  ARG  14           HB1      ARG  14   7.989  -4.581   0.139
  105    HG2  ARG  14           HG2      ARG  14   5.923  -3.575  -0.730
  106    HG3  ARG  14           HG1      ARG  14   6.781  -3.189  -2.221
  107    HD2  ARG  14           HD2      ARG  14   5.528  -5.207  -2.562
  108    HD3  ARG  14           HD1      ARG  14   7.244  -5.605  -2.521
  109    HE   ARG  14           HE       ARG  14   5.799  -5.872  -0.014
  110   HH11  ARG  14          HH11      ARG  14   7.061  -7.457  -2.870
  111   HH12  ARG  14          HH12      ARG  14   6.997  -9.042  -2.173
  112   HH21  ARG  14          HH21      ARG  14   5.709  -7.952   0.903
  113   HH22  ARG  14          HH22      ARG  14   6.238  -9.324  -0.017
  114    H    VAL  15           HN       VAL  15   7.126  -0.328   0.482
  115    HA   VAL  15           HA       VAL  15   6.021  -1.342   3.001
  116    HB   VAL  15           HB       VAL  15   5.477   1.008   3.529
  117   HG11  VAL  15          HG11      VAL  15   7.780   1.757   3.911
  118   HG12  VAL  15          HG12      VAL  15   8.359   0.525   2.792
  119   HG13  VAL  15          HG13      VAL  15   7.574   0.047   4.295
  120   HG21  VAL  15          HG21      VAL  15   6.890   1.613   0.934
  121   HG22  VAL  15          HG22      VAL  15   6.487   2.810   2.164
  122   HG23  VAL  15          HG23      VAL  15   5.202   1.942   1.328
  123    H    CYS  16           HN       CYS  16   3.971  -1.939   3.103
  124    HA   CYS  16           HA       CYS  16   2.216  -1.163   0.876
  125    HB2  CYS  16           HB2      CYS  16   2.037  -3.570   2.697
  126    HB3  CYS  16           HB1      CYS  16   0.960  -3.213   1.352
  127    H    HIS  17           HN       HIS  17   0.642   0.195   1.291
  128    HA   HIS  17           HA       HIS  17  -0.271   0.505   4.086
  129    HB2  HIS  17           HB2      HIS  17  -0.929   2.546   2.008
  130    HB3  HIS  17           HB1      HIS  17  -0.646   2.761   3.725
  131    HD1  HIS  17           HD1      HIS  17   0.705   3.901   0.813
  132    HD2  HIS  17           HD2      HIS  17   2.422   1.981   4.070
  133    HE1  HIS  17           HE1      HIS  17   3.144   4.470   0.720
  134    HE2  HIS  17           HE2      HIS  17   4.088   3.541   2.865
  135    H    ARG  18           HN       ARG  18  -2.430   0.212   4.522
  136    HA   ARG  18           HA       ARG  18  -4.037  -0.842   2.333
  137    HB2  ARG  18           HB2      ARG  18  -3.981  -2.078   4.465
  138    HB3  ARG  18           HB1      ARG  18  -4.642  -0.674   5.293
  139    HG2  ARG  18           HG2      ARG  18  -6.670  -0.854   3.892
  140    HG3  ARG  18           HG1      ARG  18  -6.006  -2.326   3.179
  141    HD2  ARG  18           HD2      ARG  18  -5.929  -3.357   5.393
  142    HD3  ARG  18           HD1      ARG  18  -6.597  -1.889   6.101
  143    HE   ARG  18           HE       ARG  18  -8.209  -3.094   4.025
  144   HH11  ARG  18          HH11      ARG  18  -7.521  -2.936   7.452
  145   HH12  ARG  18          HH12      ARG  18  -9.080  -3.529   7.922
  146   HH21  ARG  18          HH21      ARG  18 -10.283  -3.852   4.646
  147   HH22  ARG  18          HH22      ARG  18 -10.654  -4.035   6.329
  148    H    ARG  19           HN       ARG  19  -4.988   0.664   1.138
  149    HA   ARG  19           HA       ARG  19  -6.280   2.916   2.534
  150    HB2  ARG  19           HB2      ARG  19  -5.670   4.374   0.846
  151    HB3  ARG  19           HB1      ARG  19  -4.284   3.295   0.855
  152    HG2  ARG  19           HG2      ARG  19  -4.617   3.119  -1.335
  153    HG3  ARG  19           HG1      ARG  19  -5.984   2.081  -0.928
  154    HD2  ARG  19           HD2      ARG  19  -6.805   3.722  -2.430
  155    HD3  ARG  19           HD1      ARG  19  -7.391   4.171  -0.827
  156    HE   ARG  19           HE       ARG  19  -4.913   5.438  -1.546
  157   HH11  ARG  19          HH11      ARG  19  -8.404   5.664  -1.688
  158   HH12  ARG  19          HH12      ARG  19  -8.405   7.365  -2.036
  159   HH21  ARG  19          HH21      ARG  19  -4.911   7.674  -1.991
  160   HH22  ARG  19          HH22      ARG  19  -6.418   8.512  -2.185
  161    H    CYS  20           HN       CYS  20  -8.225   3.738   1.428
  162    HA   CYS  20           HA       CYS  20  -9.637   1.632  -0.063
  163    HB2  CYS  20           HB2      CYS  20 -10.888   3.446   2.005
  164    HB3  CYS  20           HB1      CYS  20 -11.660   2.103   1.170
  165    H    ASN  21           HN       ASN  21 -11.504   2.535  -1.327
  166    HA   ASN  21           HA       ASN  21 -10.680   5.071  -2.502
  167    HB2  ASN  21           HB2      ASN  21 -12.424   4.515  -4.242
  168    HB3  ASN  21           HB1      ASN  21 -11.081   3.388  -4.132
  169   HD21  ASN  21          HD21      ASN  21 -12.442   1.902  -5.223
  170   HD22  ASN  21          HD22      ASN  21 -13.656   1.020  -4.367


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